species: O W

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Sr

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: O Sn

species_pp: O Sn

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a d

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: a d


species: Mn V

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Li Mn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: O V

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a c/a


species: F Ti

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: hexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: h h

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: hexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: h h


species: Fe Mg


species: K Mg

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral


Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: O Se

species_pp: O Se

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Wyckoff_letters: g h i

Wyckoff_letters: g h


species: Mg O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL


species: Bi O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

point_group_type_orig: enantiomorphic

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_type: enantiomorphic

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: h i


species: Cd Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: O Zr

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


species: Pb S


species: Au Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Se Yb

species_pp: Se Yb

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC


species: Hg Ir

species_pp: Hg Ir


species: O Sr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co Li


species: Hf Ru


species: Cu Li

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: Mn O


species: Ca F

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET


species: Nb O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f

Wyckoff_letters: f f f f


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Mo O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O

species_pp: Cd O

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

crystal_class: dihexagonal-pyramidal

point_group_type: polar


species: Cu Mo


species: Cr O

aflow_prototype_params_list_relax: a c/a x2


sg:
Pbcn #60
Pbcn #60
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63


species: O Ta

sg:
Pmma #51
Pm #6
Pbam #55

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a a a a b b b b

Wyckoff_letters_orig: a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m m

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b b

Wyckoff_letters: a a


species: C La

species_pp: C La


species: I Mn


species: B O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: c a


species: Ag Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Ti


species: Ni Zn

aflow_prototype_params_list_orig: a c/a


species: F Mn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: F Fe

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Cu O


species: Ca Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pb Se

aflow_prototype_params_list_orig: a c/a x2


species: Nb Ni

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Mo Os


species: F Li


species: Gd H

species_pp: Gd H

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: As Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: a c i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: a b i i i i


species: H Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Bi O

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: I Ti

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: S Sn

species_pp: S Sn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Fe Ni

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cu Mg

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: O Ru


species: Cd O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: a h i

Wyckoff_site_symmetries: m m 1


species: Er Se

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag N

species_pp: Ag N


species: O V

crystal_class_orig: orthorhombic-sphenoidal


species: Mo Tc

crystal_class_orig: orthorhombic-bipyramidal


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Cr F

crystal_class: orthorhombic-sphenoidal


species: Ir Re

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Co Zr


species: Li V


crystal_class_orig: ditrigonal-scalahedral


species: Au Cd

species_pp: Au Cd

crystal_class_orig: hexoctahedral


species: O Sc

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K Mg


species: Cu F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ca O

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j

crystal_class: hexoctahedral


species: I Mn

aflow_prototype_params_list_orig: a b/a c/a beta x2 z2

aflow_prototype_params_list_relax: a b/a c/a beta x2 z2


crystal_class_orig: diploidal

Wyckoff_letters_orig: a f

crystal_class: diploidal

Wyckoff_letters: a f


species: Sn Te

species_pp: Sn Te

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class: orthorhombic-bipyramidal


species: Li Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Au Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pb Te


species: Fe Mg

sg:
Pnnm #58
Pnnm #58
I4/mmm #139

sg2:
Pnnm #58
Pnnm #58
I4/mmm #139

crystal_class: ditetragonal-dipyramidal


species: Co Mg


crystal_class: ditrigonal-scalahedral


species: Cd Cr


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b b b b b b b a a a a a a a a a a

Wyckoff_letters_orig: c c c c c c c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b b b b b b b a a a a a a a a a a

Wyckoff_letters: c c c c c c c c c b


species: O V

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: Bi O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: O Ru


species: O W

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: a c c

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a c c


species: Se Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Eu Sn

species_pp: Eu Sn


species: Co W


species: Cr Cu


Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cu W


species: Fe Ti


species: Fe W


species: Mn Mo

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Mn W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Ti

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Mo Zn


species: Ni Zn


species: Ti Zn


species: V Zn


species: W Zn


species: Co Cu


species: Cr Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Zn


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: a i

Wyckoff_letters: a i

aflow_prototype_params_list_orig: a b/a c/a beta x3 z3

aflow_prototype_params_list_relax: a b/a c/a beta x3 z3


species: Mn Ti


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cl


species: Cl Mg

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: F Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Ho

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg In

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Mg


species: Ca Rb


species: Ca Ta


species: K Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg Ta


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb Pb


species: Cl Rb


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Eu O

species_pp: Eu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e g


species: O Sm

Wyckoff_letters: b a


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: e i j

Wyckoff_letters: e i j


species: V Yb


species: Nd Pm

species_pp: Nd Pm


species: Dy Fe


species: Cu Eu


species: Pm Ti


species: Cr Pm


species: Co Dy

Egap_DOS_type: metal

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Nd

species_pp: Co Nd


species: Hf Ti


species: Pr V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tb Zn


species: Cd I

species_pp: Cd I

Egap_DOS_type: insulator


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ba I


species: I Sb

species_pp: I Sb


species: Au Ni

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Er Pm


species: Hf Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ta


species: Nb V


species: Re Zn


species: Hg Os


species: Hg Y


species: Dy Tc


species: Pd Tl

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Dy Ni


species: Fe Nb

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Fe Sc


species: Sc Zr


species: Cd Y


species: Pt Tc


species: Ag Hg

species_pp: Ag Hg


species: Ag Zn

species_pp: Ag Zn

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Eu V


species: Cu Pt


species: Ta Zn


species: Au Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i


species: Ca I


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

crystal_class_orig: ditetragonal-dipyramidal


species: I K


species: I Mg

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters: c e


species: Be I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

Wyckoff_letters: b c i


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: I Zr

Wyckoff_letters_orig: a d g

Wyckoff_letters: a c l


species: Ba I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Hg I

species_pp: Hg I


species: I Pb


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Ag Y


species: Cd Ir

species_pp: Cd Ir

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Y


species: Hg Ru

crystal_class_orig: hexoctahedral


species: Mo Ta


species: Cu I


species: Cs I


species: Ag F

species_pp: Ag F

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ir Ru


species: Cu Ru

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Pt Y


species: Hf Ir

crystal_class_orig: ditrigonal-dipyramidal


species: Ir Mn


species: Os Pt

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Mo Os

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ru Sc


species: Au Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Sc


species: Ag Au

species_pp: Ag Au


species: Ag Rh


species: Cu Os


species: Nb Y

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2


species: Ni O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m m m m


species: Pt W


species: Hf Mo


species: Hf Ta


species: Au Ir

species_pp: Au Ir


species: Hf P

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Hf Ti


species: Hf W


species: V Zr


species: Cr Zr


species: Re Ti


species: Hg Pd


species: Au Cr


species: Au V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Os


species: V Y

Wyckoff_letters_orig: a d


species: Mn Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: S Sn

species_pp: S Sn


species: F Ti

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Cs O


species: Li Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pb Y

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: I Zn

species_pp: I Zn


species: I Ti

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Co O

species_pp: Co O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Nb Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe V

sg2:
Pnma #62
Imma #74
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: a e


species: Pb Te

crystal_class_orig: ditrigonal-pyramidal


species: F Mn

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: O Zn

species_pp: O Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Al Cr


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Au Cd

species_pp: Au Cd


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O W


species: Hg Y

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


crystal_class: ditrigonal-dipyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: F Zn

species_pp: F Zn


species: Cl Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: La O

species_pp: La O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Te Yb

species_pp: Te Yb

crystal_class: hexoctahedral


species: Ni Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Zn


species: O Pb


species: Ni Sn


species: F Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cu Li


species: Fe O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Pd Zn

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal


species: O Sr

sg:
Pbca #61
Cmce #64
Cmce #64

sg2:
Pbca #61
Cmce #64
Cmce #64


species: C Os


species: Ca F

Wyckoff_letters_orig: f g h h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f g h h


species: Li O


species: Fe Li


species: Au Tc

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Li

Wyckoff_letters: c d


species: Ag Bi

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pt Ta

Wyckoff_letters_orig: e e e e e e f f f f f f

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e f f

Wyckoff_letters: e e


species: I V


species: O Sc


species: Ge P


species: Al As

species_pp: Al As

crystal_class: dihexagonal-dipyramidal


species: Mn Nd

Wyckoff_letters_orig: f i j

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f i j


species: Co Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Bi In


species: Co Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ni


species: Mo O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Pb Te


species: Co Sb

species_pp: Co Sb

Wyckoff_letters_orig: e e


species: I Mn


species: C V

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Ca Fe

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Mg O


species: S Sn


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F V


species: K Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ag Ta

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu O


species: Fe Hf

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cd Tc

Wyckoff_letters: a i


species: Fe V


species: Au Ca

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b f

crystal_class: rhombohedral

Wyckoff_letters: a b f


Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Li Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti


species: Ca F

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Hg Ta

Wyckoff_letters: e e


species: Ca Cu


species: Ca Cr


species: Ca Co


species: Pb Te


species: Cu Li

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta W


species: Fe Ge


species: Ca O

crystal_class_orig: monoclinic-prismatic


species: Li Zn


species: Cu Mg


species: Ca Mn


species: Co Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co F

species_pp: Co F

Wyckoff_letters: a a


species: Cd W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca K

crystal_class_orig: ditetragonal-dipyramidal


species: I Mn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a


species: I Tc

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr K


species: Ag Bi


species: O W

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Li


species: Cu F

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


species: Ag W


species: F Fe

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Cr Mn


species: Ni Zn


species: Cr O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: c f

Wyckoff_letters: c f f


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ni O


species: O Sn


species: Er O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a


species: O Si

Wyckoff_letters_orig: g g


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Cd Cu

crystal_class_orig: ditrigonal-scalahedral


species: W Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: B Fe


species: N Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Mg

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Ti

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c


species: Cd Th

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a g i

Wyckoff_letters_orig: g h h

Wyckoff_letters: a g i

Wyckoff_letters: g h h


species: Bi Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: O Pt

species_pp: O Pt


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: O W

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: Cu Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Nb Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: F Zr


species: P Se

species_pp: P Se

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ca Ti

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li V


species: Co Li


Wyckoff_letters: a c


species: Fe I


species: Ni O

sg:
Pbca #61
Pbca #61
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64


species: C Sm


species: Ru Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ag Bi


species: Ca Mn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: K O

crystal_class_orig: ditrigonal-pyramidal


species: O Rh

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: O V


species: Cr Se

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Cr Zr


species: Cd Cr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Zn

Wyckoff_letters_orig: e e


species: O Sn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c e


species: K Pb


species: Mg Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cs Pb


species: I Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mg Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ta


species: O Ta

crystal_class: triclinic-pinacoidal


species: Li Pb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: O Rb

Wyckoff_letters_orig: c c


species: Co Cr


species: Cr Fe


species: Cr Mn


species: Cu Mo


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Ti


species: W Zn

crystal_class_orig: diploidal

crystal_class: diploidal


Wyckoff_letters_orig: a d


species: Co Ti


crystal_class: hexoctahedral


species: Cr Mo


species: Cu Fe


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: Fe Ti


species: Mn Mo


species: Mn Ni


species: Mn V


species: Ti V


species: Hg In


species: Hg Se

species_pp: Hg Se

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: K Nb

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Li Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Zr


species: Ca Cl


species: Cl Li


species: Cl Pb

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Cl Mg


species: F Ta

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-scalahedral


species: Ni Pr

crystal_class: dihexagonal-dipyramidal


species: Co Nd

species_pp: Co Nd

Wyckoff_letters: a d


species: Dy Zn


species: Er V


species: Nd Ti


species: Fe Tb


species: Tb Ti

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Cl K


species: Er Zn


species: Co Dy


species: Cu Yb


species: Dy Ho


species: Eu Yb

species_pp: Eu Yb


species: Pm Ti


species: Cs I


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I Pb


species: Au Hg

species_pp: Au Hg


species: Cr Sc


species: Mn Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Sc


species: Cr Er


species: Cr Nb


species: Hf Ni


species: Re Zn


species: I Ti

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b


species: La Y

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Nb Rh


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cl Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Co Rh


species: Sc Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Tc Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Cr

Wyckoff_letters_orig: a c


species: Mn Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pd Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Rh V


species: Y Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir Ta


species: Tc Y


species: Ca I

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe I

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: I K

Wyckoff_letters: a c


species: I Li

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

Wyckoff_letters: h g

Wyckoff_letters: c g


species: I Ni

Wyckoff_letters_orig: a a


species: Be I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n


species: Cd I

species_pp: Cd I


Wyckoff_letters_orig: a a a a a a a a b b b c

Wyckoff_letters_orig: a a a a b b b b b b b b b c c c c c c c c c c c

Wyckoff_letters: a a a a a a a a b b b c


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a c


species: Ba I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i


species: Os Re

crystal_class_orig: dihexagonal-pyramidal


species: I Zn

species_pp: I Zn


species: Al I

species_pp: Al I


species: Al Hf


species: Au Zn

species_pp: Au Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal


species: Hf Nb

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg Rh

crystal_class_orig: ditrigonal-scalahedral


species: La W


species: Rh V


species: Ir Ru

Wyckoff_letters_orig: c g


species: Os Zr


species: Ta Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Ta

sg2:
Immm #71
Immm #71
I4/mmm #139


species: Pd V

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: As Te

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Au Cu

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Zr


species: Pb Sr

sg:
Pnma #62
Pnma #62
P4/nmm #129

Wyckoff_letters_orig: c c


species: Cu Hf


species: Fe Ir

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I K

crystal_class: rhombohedral


species: Ir Zr


species: Pd Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ta W


species: Os W


species: Pt Zr

Wyckoff_letters_orig: a f


species: Hf Ti


species: Hf V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf Zr


species: Mo Ta


species: Nb Ti

sg2:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters: a e


species: Hf Nb


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta Ti


species: Ta V


species: Ti Zr


species: Cd Zn

species_pp: Cd Zn


species: K S

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Os Ru

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Os Ta


species: Fe Hf


species: Nb Rh

crystal_class_orig: hexoctahedral


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Fe Te

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: f e


species: La Nb


species: Nb Pd


species: Nb Pt

crystal_class_orig: dihexagonal-dipyramidal


species: Ni Sm

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Cs


species: Pb Te


species: Re Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Tc


species: Cr Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr K


species: Ir W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Re

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cu Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu O

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Ag Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Tb


species: Mg O

crystal_class_orig: trigonal-pyramidal


species: O Os


species: Fe Mg

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Ga Ni


species: Ce Te

species_pp: Ce Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Tc


species: La W

Wyckoff_letters_orig: a e


species: Br Ga

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Ti

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Cl Sb

species_pp: Cl Sb

Wyckoff_letters_orig: e e e e e e e e e e

Wyckoff_letters: e e e e e e e e e e


species: Ca Cu


species: K Li

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Ta

crystal_class_orig: diploidal


species: Cl W

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: F V

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ge Pd

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a c c c c

Wyckoff_letters: g j i i


species: Ca V


species: O Si

species_pp: O Si


species: Sn Te

species_pp: Sn Te


species: Fe Mg

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Hf O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ho Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu La


species: I Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


species: La Ru

Wyckoff_letters: a d


species: C Cr

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Li V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: f e


species: Hg Ru


species: Ca O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Nb Ni


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Zn

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: b a e e e

Wyckoff_letters: e e


species: Ge Se

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Fe Sb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58


species: F Zn

species_pp: F Zn


species: Ca Tc


species: I Tc

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Fe Mg


species: Re Tc

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Bi Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr F

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Li O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: Bi O


species: Mo O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Cu La

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Rh

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Co Pd

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Pt Rh

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cu Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al Rh

Wyckoff_letters_orig: a h k

Wyckoff_letters_orig: c h

Wyckoff_letters: a h k

Wyckoff_letters: c h


species: F Ni

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Cu N

crystal_class_orig: ditetragonal-dipyramidal


species: Li Ni

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca Zn


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Fe

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: V Zn


species: O Re


species: Hf Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


crystal_class: ditrigonal-dipyramidal


species: Cl Mo

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Cu O


species: Mo O


species: F V


species: Os Sb


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Pd

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c


species: Ba Te

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: As Sn

species_pp: As Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a


species: Cr W


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr


species: O Sn

species_pp: O Sn


species: I V

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Li Tc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ca Ti


species: Bi Ti

crystal_class_orig: hexoctahedral


species: Cr Nb

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ge La


species: Fe K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Os

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ti Zn


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: O Ti

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Eu S

species_pp: Eu S


species: I Ni


species: Fe Ru


species: F Fe

sg:
Cmcm #63
Cmcm #63
Fmm2 #42


species: O Ru


species: Ca Cr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Cd Ti


species: Li Ti


species: Mo Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Sc


species: Nb Pt

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: O Pb

Wyckoff_letters_orig: a b


species: I Ta

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Li Pb


species: Cl Ta

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: K Pb

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Cr


species: Co Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Fe


species: Cr Mo


species: Cu Ti

Wyckoff_letters: b c


species: Fe Ni


species: Fe W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Ti


species: Mo Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d


species: Mo V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ti W


species: Co Mo

crystal_class: diploidal


species: Co Zn

species_pp: Co Zn

Wyckoff_letters: a c


species: Cr Mn

crystal_class: hexoctahedral


species: Cu Fe


species: Cl Nb


species: Cl Pb


species: F Ta

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e f


species: Hg Li


species: Hg Te

species_pp: Hg Te


species: K Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Nb


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Rb

Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e j


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: b c


species: Yb Zn

species_pp: Yb Zn


species: Ce Yb

species_pp: Ce Yb


species: Co Yb

species_pp: Co Yb


species: Cr Pr


species: Cu Tb


species: Dy Fe

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ho Ti


species: Mn Tb


species: Tb Zn


species: I Pb


species: I Si

species_pp: I Si

crystal_class_orig: diploidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Ta

Wyckoff_letters_orig: h i


species: Cd Zn

species_pp: Cd Zn


species: Hg Ru


species: Hg Y


species: Mo Re


species: O Sn

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i i


species: Ta Ti


species: Pd Ti


species: Zn Zr


species: Co Ir

species_pp: Co Ir


species: Cl Nb


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: a c


species: Cd Ni

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Zr


species: Au Zn

species_pp: Au Zn


species: Hg Pd

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Y Zr

crystal_class_orig: dihexagonal-pyramidal


species: Fe Nb


species: Y Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


crystal_class: ditrigonal-scalahedral


species: Hg Mo

crystal_class: dihexagonal-dipyramidal


species: Pd V


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Tb V

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Cr I


species: Fe I


species: I K

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: I Li

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Mg

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g

Wyckoff_letters: a g


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Be I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: I Zr


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: b a a a a a a

Wyckoff_letters_orig: c c c c c c c b b b b b b a

Wyckoff_letters: b a a a a a a

Wyckoff_letters: c c c c c c c b b b b b b a


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Ru


species: Au Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu I

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Ir Mn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Eu Mn


species: Hg Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Sc


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Re


species: Fe Tc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd Zn


species: Ni Sc


species: Ag Co

species_pp: Ag Co


species: Hg Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Sc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Os V


species: O Ti

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b


species: Re Ti


species: Sc Zr


species: Co Sc

sg:
Pnma #62
Pnma #62
P4/mbm #127

sg2:
Pnma #62
Pnma #62
Cmmm #65

Wyckoff_letters: c g


species: Mo Zr


species: Hf V


species: Hf Zr


species: Co Ta


species: Hf Nb


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c g


species: O Sr

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Ta Ti

crystal_class_orig: ditrigonal-dipyramidal


species: Hf Re

crystal_class_orig: ditetragonal-dipyramidal


species: Pd Tc


species: Hg Mo


species: La Mn


species: Ta Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Os

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Pt V


species: Cd Re


species: La Pd


species: Co Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ho


species: Au Sc


species: C Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: i j

Wyckoff_letters: a g h

Wyckoff_letters: i j


species: Cr Hf

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ru Tc


species: Co Hf

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f


species: O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Te Zn

species_pp: Te Zn


species: Mn Zr


species: Cl Pd


species: Pt Re

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr O


species: Cr Mg


species: S Sn

species_pp: S Sn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Tc


species: Cr Mn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Pr

species_pp: O Pr

crystal_class_orig: hexoctahedral


species: Co Zr


species: Ru Ti


species: Cr F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n


species: La Sb

species_pp: La Sb


species: Cd Ni


species: Hf Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Pd

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: Pd Sr

sg:
Pnma #62
Pnma #62
Pnma #62


species: O Si

species_pp: O Si


species: Cr Nb


species: O Sc


species: F Ti

crystal_class: tetragonal-scalenoidal


species: Co W


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ba O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: F Ni


species: Hf Ta


species: Fe Mn


species: Ca Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Re


species: Li Ni

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Au Lu

species_pp: Au Lu

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Pd Ti


species: Ca Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b

Wyckoff_letters_orig: a b b b b c c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b

Wyckoff_letters: a b b b b c c c c c


species: B Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Ru

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Fe Li

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: C Re

crystal_class_orig: dihexagonal-dipyramidal


species: Hg Sc


species: I O

species_pp: I O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a b b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a b b


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Ca S


species: Pd Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Zr

crystal_class_orig: diploidal

crystal_class: diploidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta Tc


species: O Pb


species: Rb Te

crystal_class: hexoctahedral


species: Bi O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: C Nb

crystal_class: orthorhombic-bipyramidal


species: O W

crystal_class_orig: trigonal-pyramidal


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Mg


species: La Pd


species: Hf Zr


species: Ru Ta

crystal_class: ditrigonal-dipyramidal


species: Cr Mg

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn Nb


species: O Sr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Fe

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Rh Y


species: O Sc

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Cu Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Mo

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Zn

Wyckoff_letters_orig: a a


species: O Tc


species: O Pd

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Mg Pr

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: H I

species_pp: H I


species: K Mg

crystal_class: ditrigonal-scalahedral


species: Ca Li


species: Hg O

species_pp: Hg O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cl Mg

Wyckoff_letters_orig: d b i

Wyckoff_letters: d a i


species: Nb O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O V


species: Cd Cs

crystal_class: ditetragonal-dipyramidal


species: Li Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b g h

Wyckoff_letters: a h

Wyckoff_letters: b g h


species: Os Tc


species: Cr Mg


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Zr

crystal_class: dihexagonal-dipyramidal


species: Bi O


species: I V

crystal_class_orig: ditrigonal-dipyramidal


species: Cd O

species_pp: Cd O


species: Ti V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ho Os

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ti


species: Nb Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: La W


species: Cr F

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: F Tl

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu F


species: Rh Se


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: ditetragonal-dipyramidal


species: O Re

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: Ca O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Fe W


species: As Rb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: b a d d


species: Re Ru


species: C I

species_pp: C I


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: monoclinic-prismatic


species: Mg Xe

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Ti

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: C N

species_pp: C N

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a k j

Wyckoff_letters: j k

Wyckoff_letters: a d j k


species: Ge Se

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Co F

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Hf W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Sc


species: K O

crystal_class_orig: ditrigonal-scalahedral


species: Mn Pd


species: Cr Mg


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e


species: Co Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c d

Wyckoff_letters: c c

Wyckoff_letters: c d


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr Zr


species: Br Ca

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: n n

Wyckoff_letters: c b e


Wyckoff_letters_orig: a a


species: Cr La

Wyckoff_letters_orig: d e


species: Li O

Wyckoff_letters_orig: e e

Wyckoff_letters: c f


species: Mg O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: O Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Zn


species: Fe Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe W

crystal_class_orig: hexoctahedral


species: Mn Mo

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn W

crystal_class_orig: dihexagonal-dipyramidal


species: Mo Ti


species: Ni V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cr Fe


species: Cu Mn


species: Cu V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu W

crystal_class_orig: orthorhombic-pyramidal


species: Fe Mo

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn Ti


species: Mn Zn

Wyckoff_letters_orig: a h


species: Ni Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ni Zn


species: Ca Cl

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: F Nb

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Hg K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: c d

Wyckoff_letters: c g


species: K Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Rb


species: Nb Pb


species: Pb Ta


species: Hg Li


Wyckoff_letters: a h


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: F Ta


species: O Pb


species: O Sm


species: Ho Nd


species: Tb V


species: Ce Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ce Ti


species: Co Er


species: Pm Zn

species_pp: Pm Zn


species: Ce Zn

species_pp: Ce Zn


species: Gd Tb


species: Nd Ni


species: Pm Ti


species: Hg I

species_pp: Hg I

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Hf

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters: b e j


species: Au Ir

species_pp: Au Ir


species: Co Zr

crystal_class_orig: diploidal


species: Cr Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Ir Ti


species: V Zr


species: Cr Os


species: Ni Rh

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pd Rh


species: Rh Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Mo

Wyckoff_letters_orig: b e j


species: Co Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf Hg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mn Pd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd Sc


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Zn

species_pp: Hg Zn


species: La Mo


species: Cd Pd

Wyckoff_letters_orig: g h


species: Mo Tc

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Nb Ta

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Ca I

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a e

Wyckoff_letters: c d


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Co I

species_pp: Co I


species: Cr I


species: I Li

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ni

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f


species: I Zr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters: e e


Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: I Sn

species_pp: I Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a a a a a a a a a b b b b b b b b c c c c

Wyckoff_letters_orig: b b b b c c c c c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b c c c c c c c c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f


species: I Sb

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


species: Ba I

Wyckoff_letters_orig: b a a a a a a

Wyckoff_letters_orig: c c c c c c c b b b b b b a

Wyckoff_letters: b a a a a a a

Wyckoff_letters: c c c c c c c b b b b b b a


species: Hg I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Ni

Wyckoff_letters: a c


species: Mn Pt


species: I Zn


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Pd Pt


species: Rh Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Sc Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Re W

crystal_class_orig: ditrigonal-dipyramidal


species: Cr Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Sc

Wyckoff_letters_orig: a c


species: Co Ru


species: Ag Hf


species: Cr O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Fe Ru

crystal_class: diploidal


species: Nb Zn


species: Ta Zr


species: Hf W

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: Mo Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class: orthorhombic-bipyramidal


species: Nb Ta


species: Cd Re


species: Hf Mo

crystal_class_orig: ditrigonal-scalahedral


species: Ir Rh


species: Mo Zr


species: Nb Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Os Zr


species: Pt Tc

crystal_class: ditrigonal-dipyramidal


species: Re Sc


species: O Sb

species_pp: O Sb

crystal_class: ditrigonal-scalahedral


species: Sc Ti


species: Hf Rh


species: Ag Rh


species: Cu Pm


species: La Os


species: Ag Ni


species: Cr Tc


species: Cd Fe


species: Ni Tb


species: Sn Ti


species: Fe Ni


species: C Sc


species: P Re

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c f f f f

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: c f f f f

Wyckoff_letters: f f


species: La Ru

crystal_class: ditetragonal-dipyramidal


species: O Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Zr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Co

crystal_class: dihexagonal-dipyramidal


species: Li Mn


species: N Rh


species: Nb Rh


species: Sb Sr

Wyckoff_letters_orig: d e h i m

Wyckoff_letters_orig: e h n n

Wyckoff_letters: d e h i m

Wyckoff_letters: e h n n


species: Sc Ti


species: Au Cu


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ag Bi


species: F Ti

sg:
Pnma #62
Pnma #62
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La W


species: F V


species: Au Cr


species: O Tc

Wyckoff_letters_orig: i i i i i i i i i i i i

Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e


species: Ca Cr


species: Ca Fe


species: Ca O


species: Sn Te

species_pp: Sn Te

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Re Ru


species: Cd Pd

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn S

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Sr


species: F Sr


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sc


species: Cu Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V

sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Co Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mn Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co K

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Zn

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Pt Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ti Zn


species: Cu Mn


Wyckoff_letters_orig: e e


species: Ir Y


species: O Ti

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Pb S

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Au N

species_pp: Au N


species: Ge Te

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: In O


species: Se Sn

species_pp: Se Sn


species: F Ni

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Ca Co


species: Hg Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Hf

Wyckoff_letters_orig: a e f f f f f

Wyckoff_letters: a e f f f f f


species: F Fe

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Mn O


species: O Sc


species: Ca Pb


species: Hg Sr

Wyckoff_letters_orig: c c c c c c c c c c c c c c c c

Wyckoff_letters: c c c c c c c c c c c c c c c c


species: F V

Wyckoff_letters_orig: c b b b b a a a a a

Wyckoff_letters_orig: c c c c b

Wyckoff_letters: c b b b b a a a a a

Wyckoff_letters: c c c c b


species: I Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Sc Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu F


species: Ir V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Nb O

sg:
Pcc2 #27
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a d e e

Wyckoff_letters: e e

Wyckoff_letters: a d e e


species: O Zn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: O V


species: F Sr


species: Nb Se

Wyckoff_letters: g c


species: Fe Li


species: Fe O

Wyckoff_letters_orig: a g g h h

Wyckoff_letters: a g g h h


species: Li O


species: Ni O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti


species: Ti Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Ta


species: Ca Fe


species: Cl O

species_pp: Cl O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: B Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K Li


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd F

species_pp: Cd F


species: Cd Cs


species: O Tc

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: W Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Mn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co La

species_pp: Co La

Wyckoff_letters: b f


species: Hf Zr

Wyckoff_letters: a c


species: Fe N


species: Li O


species: O Os

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Se Ta


species: Fe I


species: Ca O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Sr

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Cd Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Ti


species: I Li

sg2:
Immm #71
Immm #71
Immm #71


species: F V

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O V

crystal_class: dihexagonal-pyramidal


species: O Ti

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Mg


species: Cu O


species: O Zn


species: P Pr

species_pp: P Pr

crystal_class_orig: hexoctahedral


species: Au Cd

species_pp: Au Cd

Wyckoff_letters: a d


species: Li Mg


species: Co K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters: c c


species: Ni S


species: C Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Bi Pt


species: Cr O

Wyckoff_letters: b a


species: O Tc


species: Fe Mg

Wyckoff_letters_orig: a d


species: Ag Bi


species: I Nb

Wyckoff_letters_orig: c c c b b b a a a a a a

Wyckoff_letters_orig: c c c b b b

Wyckoff_letters: c c c b b b a a a a a a

Wyckoff_letters: c c c b b b


species: I Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Mo W


species: V W

crystal_class: tetrahedral


species: Co Ti


species: Co W

crystal_class_orig: dihexagonal-dipyramidal


species: Cr Ni


species: Cu V

crystal_class_orig: tetrahedral


species: Ni Ti


species: Co Cu


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Fe


species: Cr Mo


species: Cr W

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cr Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Zn


species: Fe Mn


species: Fe Ti


species: Mn Ni


species: Mn V


species: Mo Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ti


species: Mo V


species: Ni V


species: Ti W


Wyckoff_letters_orig: c d

Wyckoff_letters: b g


species: Ti Zn


species: Cl Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Pb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Hg Rb


species: Hg K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg S

species_pp: Hg S


species: Ca Ta


species: Cs Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Mg Rb


species: Rb Ta


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cl Cs

crystal_class_orig: orthorhombic-pyramidal


species: Cl Nb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: F Rb


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


Wyckoff_letters_orig: e f f f f


species: O Sm

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: j j j

Wyckoff_letters_orig: c j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: j j j

Wyckoff_letters: c j


species: Fe Sm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sm Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ce Nd

species_pp: Ce Nd


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a a a a a a a a a b b b b b b b b c c c c

Wyckoff_letters_orig: b b b b c c c c c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b c c c c c c c c


species: Ce Ti


species: Cr Er


species: Cu Dy


species: Cu Pr


species: Er Mn


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Er Ti


species: Er V


species: Mn Pr


species: Tm V


species: Cr I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Ni

crystal_class_orig: monoclinic-prismatic


species: I Pb


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: Cs I

crystal_class: hexoctahedral


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class: orthorhombic-bipyramidal


species: Ag Cu


species: Cr Hf


species: Cr Ta


species: Cu Tc


species: Eu Ti


species: La Mo


species: La W


species: Mn Pt

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Sc V


species: Ag Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Cd Hf


species: Cd W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ir Pt


species: Au Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Ir

species_pp: Co Ir


species: Ce Pm

species_pp: Ce Pm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Mo


species: Hg V


species: Sc W


species: Cd Cu


species: Fe Tb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Zr


species: Cd Re


species: Fe Os


species: Pd Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Pr V


species: Sc V


species: Pt Tc


species: Ta Zn

Wyckoff_letters: c e d


species: Hf Tc


species: Ca I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


sg:
Immm #71
Immm #71
Immm #71


species: Fe I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Ni

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class: rhombohedral


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ag V

crystal_class: ditetragonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: I Zn

species_pp: I Zn


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a c f l

Wyckoff_letters: b e


sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: Al I

species_pp: Al I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ga I


species: Hg Ru


species: Ir V

Wyckoff_letters: a f


species: Hg Nb


species: Nb Pt


species: Ta W

Wyckoff_letters_orig: a d


species: Ti Zr


species: Ag Mo


species: Cu Hg


species: Hf W


species: Ta V

Wyckoff_letters: a d


species: Hf Tc

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Pd

crystal_class_orig: ditrigonal-scalahedral


species: Pd V


species: Cd Re

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu Hf


species: Fe Sm


species: Fe Tb


species: Ag Nb


species: Cs Te


species: Ru Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ta


species: Mo Ta

Wyckoff_letters_orig: c f


species: Ta Ti


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr


species: Hg Y

crystal_class_orig: diploidal

crystal_class: diploidal


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Ru


species: Ag Ru


species: Au Cu


species: Os Pt


species: Ag Re

sg:
Pnnm #58
Pnnm #58
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Hf Re


species: Cd N

species_pp: Cd N


species: Cr F


species: P Ti


species: Ir Ni


species: O Pr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: O Sn

species_pp: O Sn


species: Mn Ti

crystal_class_orig: hexoctahedral


species: Ag Zr


species: O Re

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Co Mg


species: O Ru

Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ni Pd

sg:
Pnnm #58
Immm #71
Immm #71


species: Hf W


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f f g h

Wyckoff_letters: f f g h


species: B O

Wyckoff_letters_orig: i i l l

Wyckoff_letters_orig: a e j k

Wyckoff_letters: i i l l

Wyckoff_letters: a e j k


species: F Fe


species: Fe K


species: Cd Ni


species: F V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Li Mg


species: Cu K


species: Fe O


species: Cr Hg

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: B Ni

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O W

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Li


species: O Zr

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Zn

Wyckoff_letters_orig: a d


species: Nb Ru


species: Re Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Zn Zr

Wyckoff_letters_orig: c d f g

Wyckoff_letters: c d f g


species: O V

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Nb Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Mg

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Mo Ti


species: Ca O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Pd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Mg


species: Mn Os

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: In Zr

Wyckoff_letters: a d


species: Ni Zn


species: Pd Re


species: As B

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Li Tc


species: Nb Zr


species: F Ti

Wyckoff_letters_orig: c c c c c c c c c c c c

Wyckoff_letters: c c c c c c c c c c c c


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Re V


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: As Th


species: Ca Fe


species: Cu O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cu Ti


species: Pb S

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Ca Mg


species: O Zr


species: Hf O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Cr O


species: Fe O


species: Cd Mo


species: O Si


species: Li Zn


species: Cr Zr

sg:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Br O

species_pp: Br O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: I Mn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


species: F Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Fe Rh


species: Ca V

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


species: In Pt


species: F V

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr Hg


species: Fe I


species: Ir Tc


species: As Ca

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Co Mg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu I


species: H Y

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Cd Nb


species: O Zr

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Au Cr

Wyckoff_letters: a d


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Y Zr


species: Hg Os


species: Li Mn


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Sc


species: Fe Te

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b b


species: Ca Cu

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Ni V

Wyckoff_letters_orig: a d


species: Mn Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Li Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cl Mg

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i


species: I Ti

crystal_class_orig: dihexagonal-pyramidal


species: La Zr

crystal_class: orthorhombic-pyramidal


species: Fe K


species: O Ti

crystal_class: orthorhombic-bipyramidal


species: O W

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Fe O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cr Ni


species: Mo Y


Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e

Wyckoff_letters: a c

Wyckoff_letters: d c


species: Hf Pt


species: O Sn


species: Ni O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

crystal_class: hexoctahedral

Wyckoff_letters: d a


species: Li V

Wyckoff_letters_orig: a c


species: Cd Mn


species: F Mn


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Bi Mn


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cr K

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Se Zn

species_pp: Se Zn

crystal_class_orig: diploidal


species: Hg O

species_pp: Hg O

crystal_class_orig: hexoctahedral


species: Ca Cu

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Fe K

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Al S

species_pp: Al S

Wyckoff_letters_orig: d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d d


species: Cd O

species_pp: Cd O

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Fe Mg


species: O Zn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: Pt Tb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b f

crystal_class: rhombohedral

Wyckoff_letters: a b f


species: Ca Mn

crystal_class: ditetragonal-dipyramidal


species: Ni Zr


species: O Zr


species: C N

species_pp: C N

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: Ca Zn

crystal_class: monoclinic-prismatic


species: Fe Pt


species: Bi Ti


species: Eu O

species_pp: Eu O


species: Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hg O


species: Ni W


species: Nb Ta


species: O Ru

Wyckoff_letters_orig: b a d d

Wyckoff_letters: b a d d

Wyckoff_letters: c d


species: O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Ni Re

crystal_class: dihexagonal-dipyramidal


species: O Zn

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Tc


species: Co Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Tc


species: H Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Ni


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Ta

Wyckoff_letters_orig: c d


species: Cu Ti


species: Mo V


species: Mo W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Cu

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Fe

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Co Ni


species: Co W


species: Cu Ni


species: Cu V


species: Fe Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mn Ni


species: Mn V

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ti W


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn W


species: V W


species: V Zn


crystal_class: diploidal


species: Hg Ho


species: Hg In

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Li


species: Hg Mg


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: b f


species: F Nb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ca Ta


species: Li Nb


species: Pb Ta


species: Ca Rb

Wyckoff_letters_orig: d g


species: Cs Nb


species: F Pb

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: F Ta

sg:
Cmcm #63
Cmcm #63
P6/mmm #191

Wyckoff_letters_orig: c f g h

Wyckoff_letters_orig: a d

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: O Pb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cl Cs


species: Cl Mg

crystal_class_orig: monoclinic-prismatic


species: Cs F

Wyckoff_letters_orig: c c


species: Ce O

species_pp: Ce O


species: Tb Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Gd

species_pp: Co Gd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Tb


species: Cr Ho


species: Cu Ho


species: Dy Zn


species: Er Ti


species: Mn Nd


species: Nd V


species: Hg I

species_pp: Hg I


species: Cd I

species_pp: Cd I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Co

species_pp: Au Co


species: Os Tc


species: Pt Sc


species: Au Sc


species: Nb Ti


species: Hf Mn


species: Sc Ti


species: Rh Zn


species: Co Re


species: Ir La

species_pp: Ir La


species: Pd Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pt W


species: Pt Y


species: Fe La


species: Hg Mo


species: Sc Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co I

species_pp: Co I

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Fe I


species: I Li


species: I Ni

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Be I

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Ge I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b a

Wyckoff_letters: i i i i


species: Ba I

Wyckoff_letters_orig: b a a a a

Wyckoff_letters_orig: c c c c c b b b b a

Wyckoff_letters: b a a a a

Wyckoff_letters: c c c c c b b b b a


species: Cu Zr


species: La Re

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Rh Zr


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Al I

species_pp: Al I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ga I

Wyckoff_letters_orig: b f i

Wyckoff_letters: b f i


species: Cs I


species: Ag Cu


species: Fe Nb


species: Ir Pt

species_pp: Ir Pt

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Ir Rh

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Ru

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ir Mn

crystal_class: orthorhombic-pyramidal


species: Nb Ni

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Pd Se

Wyckoff_letters: a a


species: Cd Rh

Wyckoff_letters: a c


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Zr

Wyckoff_letters: b c


species: Hf Nb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Ta


species: Mo Nb

crystal_class: ditrigonal-scalahedral