species: Ca Mg


species: Bi O

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ag Rh

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

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

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

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

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: I Ni

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: 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: RHL

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: RHL

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x2 y2 z2

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x2 y2 z2


species: C Y

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

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

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

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

Wyckoff_site_symmetries: m m


species: Mg O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

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

Wyckoff_site_symmetries_orig: m m m m m m m m 1 1 1

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_type: polar

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

Wyckoff_site_symmetries: m m m m m m m m 1 1 1


species: Co Zn

species_pp: Co Zn

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: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

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


species: Hg Pd

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: 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: a h

Wyckoff_letters_orig: c c c

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: F Ti

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr F

sg:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: orthorhombic-pyramidal

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: a a a

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: d c


species: Cu Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr Zn

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: O W

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Fe Nb

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal


species: O Pb

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

aflow_prototype_params_list_orig: a b/a c/a beta y2


Bravais_superlattice_lattice_type_orig: BCT


species: O Te

species_pp: O Te

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: c f

crystal_class: rhombohedral

Wyckoff_letters: f f f

Wyckoff_letters: c f


species: Cl V

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e 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

Wyckoff_letters: e e e e


species: Ca O

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca Mg


species: La Re

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

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: c e d


species: Cr O

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating


species: K O

aflow_prototype_params_list_relax: a b/a c/a x2


species: O Sc

sg:
Fmmm #69
Fmmm #69
I4/mmm #139

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

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

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cr Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Sn

species_pp: La Sn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: V W


crystal_class_orig: trigonal-trapezoidal


species: O Re


species: O Zr


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m m

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m m


species: Re Zr

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O Pd

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: K Mg

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: diploidal

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Nb Y


species: Ca Ni


species: W Zn


species: F Mg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

aflow_prototype_params_list_relax: a c/a x2


Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: F Ti

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


point_group_structure_orig: symmetric


crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial


species: P Re

Wyckoff_letters_orig: c c


species: Be F

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: e f

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: e f


species: K O

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: f e

Wyckoff_letters: g g

Wyckoff_letters: a b


species: Ta Zn


species: Pb Se

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Fe K

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: I Mg


species: Ca O


species: F Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


species: O Sr


species: Fe La

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ca Co


species: Al Pd

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a f f f f f

Wyckoff_letters_orig: f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a f f f f f

Wyckoff_letters: f f


species: Ir Re

crystal_class_orig: hexoctahedral


species: Al Ru

crystal_class: ditetragonal-dipyramidal


species: Er Mn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c i j

Wyckoff_letters: i i

Wyckoff_letters: a c i j


species: O Si

species_pp: O Si

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a

Wyckoff_letters_orig: a a a a a a a a

reciprocal_lattice_type: TRI

Wyckoff_letters: a a a a a a a a a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: Li O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: Mg O


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

crystal_class_orig: orthorhombic-bipyramidal

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Cl Fe


species: Co Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca Mn


species: Ba N

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC


species: Co Li


species: Ca Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pr Pt

species_pp: Pr Pt

crystal_class: orthorhombic-bipyramidal


species: F V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Li Mn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Ni

crystal_class: monoclinic-prismatic

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


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Rh

crystal_class_orig: tetrahedral

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Ir V

Wyckoff_letters_orig: d e g g

Wyckoff_letters_orig: f f f f

Wyckoff_letters: d e g g

Wyckoff_letters: f f f f


species: Hf Y

Wyckoff_letters_orig: a e


species: Eu Pb


species: O W

crystal_class_orig: trigonal-trapezoidal


species: Ni Zr

aflow_prototype_params_list_orig: a c/a x2


species: Cu Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Y Zn


species: Ca V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Sc

crystal_class_orig: ditrigonal-pyramidal


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: Mg O

sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ge Te


species: Ca Cu


species: Co Fe

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: Li V

crystal_class: dihexagonal-dipyramidal


species: Bi Ti


species: O V

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a n


species: V W


species: Re Rh

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag Ru


species: Ca Ni


species: I Mn


species: Hf O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b b

Wyckoff_letters: c c


species: Ru Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W


species: O S

species_pp: O S

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Mn O

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: d d d

Wyckoff_letters: c c d

Wyckoff_letters: d d d


species: Nb Se


species: Ca Fe

crystal_class: hexoctahedral


Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: a b c c


species: Cr O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Zr

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Li Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co K


species: W Zr


species: Hg Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Nb V

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Fe O


species: O Zn

species_pp: O Zn

crystal_class_orig: diploidal


species: Ag Fe


species: O Sc

Wyckoff_letters_orig: h k

Wyckoff_letters: b e


species: F Mg


species: I Mg


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e e e


species: O Te

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Fe K

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


Wyckoff_letters_orig: b f


species: O Tl

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: I Tc

crystal_class_orig: ditetragonal-dipyramidal


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: j j j

Wyckoff_letters_orig: c j

Wyckoff_letters: j j j

Wyckoff_letters: c j


species: Cl P

species_pp: Cl P

Wyckoff_letters_orig: c c g g

Wyckoff_letters_orig: a c

Wyckoff_letters: c c g g

Wyckoff_letters: a c


species: K Li

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: I Mn


species: Ni Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Ti

Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: d d d

Wyckoff_letters: c c d


species: Au N

species_pp: Au N

crystal_class: diploidal


species: I Zn

species_pp: I Zn


species: O W

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Nb Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ta

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Pb Rb


species: Co Mo


species: Cu W

crystal_class_orig: hexoctahedral


species: V W


species: Co Zn


species: Cr Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr W


species: Cr Zn


species: Cu Mo


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn W


species: Mn Zn


species: Ti Zn


species: W Zn


species: Co Ni


species: Cu Mn


species: Cu Ni

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe Ni

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI


species: Fe Ti


species: Mo Ni


species: Ni V


species: Ni Zn


species: V W

crystal_class: ditrigonal-dipyramidal


species: Hg Ho

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Li


species: Hg O

species_pp: Hg O


species: Hg S

species_pp: Hg S


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca Ta


species: Cs K


species: Li Nb


sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Rb Ta


species: Pb Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: e e h h k k

Wyckoff_letters_orig: c d e f g


species: Fe Pm


species: Pr V

crystal_class_orig: ditrigonal-scalahedral


species: Ho Ni


species: Ho Ti


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ce O

species_pp: Ce O

Egap_DOS_type: metal

Wyckoff_letters_orig: g h k

Wyckoff_letters: g h k


species: Ce V


species: Dy V


species: Eu Zn

species_pp: Eu Zn


species: Cr I

Egap_DOS_type: insulator

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a a a a a a a a a a a a a a a


species: Hg I

species_pp: Hg I


species: I In

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y1 y2

aflow_prototype_params_list_relax: a b/a c/a beta y1 y2


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Rh


species: Rh V


species: Au W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Tc

crystal_class_orig: tetrahedral


species: I Nb

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

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

crystal_class: ditrigonal-pyramidal

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


species: I V

Egap_DOS_type: half-metal


species: Sc Y


species: Ag Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co K


species: Ru Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Sc


species: Os Rh

crystal_class_orig: dihexagonal-dipyramidal


species: Tc W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ni Ta


species: Pt Zn

species_pp: Pt Zn


species: Mg O


species: Mo Pd


species: Pb Se


species: Cr I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Ni

Wyckoff_letters: d d


species: Nb W


species: Cu I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: I Zn

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Cs I


species: Co Tc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: La Pt

species_pp: La Pt


species: Ru Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Sc Tc


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Sc Ti


species: La Rh


species: Br Si

species_pp: Br Si

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ir Os


species: Zn Zr


species: La Re


species: Re W


species: Rh Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Ir

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf W


species: Nb Ti


species: Nb V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: V Zr


species: Ta Zr


species: Y Zn


species: Ag Os


species: Co Sc


species: Ta Ti


species: Ag Tc


species: Fe Re

Wyckoff_letters: h i


species: Os Zn


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Ni


species: Fe Si


species: Hf Pt

Wyckoff_letters: a d


species: Ce Er


species: Pd Se

crystal_class_orig: dihexagonal-pyramidal


species: Rh Ta


species: Tc W


species: Mo Os

Wyckoff_letters: a h


species: Sn Ti


species: Li Tc


species: O Sc

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: O V

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: Ca Li


species: Dy Hg


species: Cr O

sg2:
Pmmm #47
Pmmm #47
P4/mmm #123


species: Ca Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: F Fe

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


Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: O Zn

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Ca K

Wyckoff_letters_orig: a d


species: W Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sn Te

species_pp: Sn Te

crystal_class_orig: trigonal-trapezoidal


species: O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Te Zn

species_pp: Te Zn


species: Ca V


species: Tc V


species: Cs O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ni Sn


species: Au W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Bi


species: Li V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ag Sc


species: Mn O

Wyckoff_letters_orig: e e


species: F V

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Mo Se

crystal_class_orig: ditetragonal-dipyramidal


species: Mg O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Li Mg


species: La Rh


species: N Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Zn


species: Fe Mg

Wyckoff_letters: a h


species: Cr F


species: O Tc

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ca H


species: K Mg

sg:
Pnnm #58
Pnnm #58
Immm #71


species: I Mg


species: Ni Os

Wyckoff_letters: a d


species: Fe Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: C Ca


species: La Nb


species: Zn Zr


species: Ca Cl


species: Hg Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn O

crystal_class: dihexagonal-pyramidal


species: Ca K


species: Nb O

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m


species: Cr O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: I Tc

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Pd Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ru

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: O W


species: Li Mn

crystal_class: ditetragonal-dipyramidal


species: Ag Ni


Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: a g g g g g g g g g g g

Wyckoff_letters: g g g g

Wyckoff_letters: a g g g g g g g g g g g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: n m


species: Cu Li


species: F Mn

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: Ca V


Wyckoff_letters_orig: e e


species: Ca Cr


species: Ge O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: K O

Wyckoff_letters_orig: a d


species: O Pt

species_pp: O Pt


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li Ti


species: O Ti

Wyckoff_letters: e e


species: Li Mg


species: Bi Ti


species: Ir Pt

species_pp: Ir Pt


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: La V


species: Fe K


species: Fe Mg


species: Hg Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Li Mn

Wyckoff_letters: a d


Wyckoff_letters_orig: e n n h l i m o m n o m n e m h i a

Wyckoff_letters_orig: j j b o n m o m n n e m m n h l e h

Wyckoff_letters: e n n h l i m o m n o m n e m h i a

Wyckoff_letters: j j b o n m o m n n e m m n h l e h


species: H V


species: Cu P

Wyckoff_letters_orig: b d g

Wyckoff_letters: b d g


species: Br Co

species_pp: Br Co


species: C Fe

Wyckoff_letters_orig: a b g q

Wyckoff_site_symmetries_orig: mmm mmm 2mm ..m

Wyckoff_letters: a b g q

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Co O

species_pp: Co O

Wyckoff_letters: g g


species: Ca O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: O Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: B Li

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Nb Os


species: I V


species: Ir Pt

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni O


species: F Mg

Wyckoff_letters_orig: a a


species: I Mn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O W

Wyckoff_letters_orig: a m m m m m m m m m m m m m m m n n n n n n n n n

Wyckoff_letters_orig: m m m m m m m m m

Wyckoff_site_symmetries_orig: 2/m m m m m m m m m m m m m m m m m m m m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: m m m m m m m m m

Wyckoff_site_symmetries: m m m m m m m m m


species: O Pt


species: O Re

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ho Ni


species: Fe Ir

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Au Y

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


species: S Zn

species_pp: S Zn


species: Cd Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co O


species: I Ti


species: O Rh


species: Cr Os

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: I K


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ca V


species: O Sr


species: I Tc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m 1


species: Bi O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a


species: Au Cr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


crystal_class_orig: hexoctahedral


species: Cu K

Wyckoff_letters_orig: c i

Wyckoff_letters: c 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: In Se

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Li O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: P Sr

crystal_class_orig: ditrigonal-scalahedral


species: F Ni

Wyckoff_letters_orig: c c


species: Ca O


species: Ir O

crystal_class: orthorhombic-bipyramidal


species: Fe N


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca Cr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Ti

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: Co Mg

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O


species: Fe O

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Ni Tl


species: Hf V

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: O Pt

crystal_class_orig: orthorhombic-bipyramidal


species: Te Zn


species: Sb Sr


species: Co Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mn O


species: C Tb


species: Cd Hf

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: F Mn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: F Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Sc


species: Ca Pb

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Rb


species: Cr V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni V


species: Co Cu

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Mo


species: Co W

crystal_class: hexoctahedral


species: Cr Cu


species: Cr Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Ti


species: Cu Mo


species: Cu Zn


species: Ni Zn


species: Ti Zn


species: Co Ti


species: Cr Mn


species: Cr Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Fe


species: Fe Mo


species: Fe V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn Ni


species: Mn W


species: Mn Zn


species: Mo V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo W


species: Ni W


species: Ti V


species: O Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Ho


species: Hg K


species: Hg Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Te

species_pp: Hg Te


species: K Rb


species: Li Ta


species: Cl Pb

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Ho Sm


species: Gd Pr

species_pp: Gd Pr


species: Cr Mn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Mn Sm

crystal_class_orig: dihexagonal-dipyramidal


species: Cl Nb


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Ti


species: Ce Fe


species: Nd Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Er

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Mn


species: Co Gd

species_pp: Co Gd


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Dy Mn


species: Er Ni


species: Fe Tb


species: Pm Zn

species_pp: Pm Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ti Yb


species: I In

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Mg


species: Au V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Zr


species: Hg Sc

sg:
Pmmm #47
Pmmm #47
P4/mmm #123

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: Cd Y


species: Hf Os


species: Ag Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Ir

species_pp: Cd Ir


species: Sc Tc


species: Cd Nb

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Er Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ir Ti


species: Ir Rh

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ag Bi


species: Mo Os


species: Nb O

Wyckoff_letters_orig: d c

Wyckoff_letters: c d


species: Ni O


species: Ca I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a

Wyckoff_letters: a a a a


Wyckoff_letters_orig: i i

Wyckoff_letters: c c


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe I


species: I Li

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: I Mg

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


crystal_class_orig: dihexagonal-pyramidal


species: I Ni

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Rb


species: I Zr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ag I

species_pp: Ag I


species: Ba I

Wyckoff_letters_orig: a a


species: Hg I

species_pp: Hg I

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu I

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c i

Wyckoff_letters: b a j k


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: Au Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Re Ru

crystal_class_orig: ditetragonal-dipyramidal


species: Ag Pd


species: Cd W


species: Re Ti


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cd Fe


species: Ce Ni


species: Hf Ta


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo Se

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Hg Mn


species: Ho Pm


species: Hf Sc


species: Mo Zr


species: Mo Nb

crystal_class_orig: hexoctahedral


species: W Zr


species: Ba S


species: Hf Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hf W


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ti Zr

Wyckoff_letters: c g


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pd Pt


species: Cr Pt

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Rh Tc


species: Ag Pd


species: Cd Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au La

species_pp: Au La


species: Bi O


species: I Nb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O Zr


species: I Mn

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: c i i i

Wyckoff_site_symmetries: 2/m m m m


species: Au Nb


species: La Ti


species: Li Zn


species: C N

species_pp: C N

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: c c


species: Cd V


species: Sr Zn

Wyckoff_letters_orig: c g


species: O Os

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Cd Nb


species: O Ti

Wyckoff_letters_orig: g h k

Wyckoff_letters: g h k


species: O Si

species_pp: O Si

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Ca O


species: Li Tc

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Cr O


species: Br Rh

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Os Y

crystal_class_orig: diploidal


species: O Rh

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Se Sn

species_pp: Se Sn


Wyckoff_letters_orig: b g


species: I Mn

crystal_class_orig: monoclinic-sphenoidal


species: Cu O

Wyckoff_letters_orig: e e


species: Rh Zn


species: Cr K

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Ni

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co Ni


species: Mn Ru


species: F Mg

crystal_class: diploidal


species: Mg Se


species: Cd Fe


species: Pb Se

Wyckoff_letters: e e


species: Ag Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Hf

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ir Mo


species: K O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Pd Sc


crystal_class_orig: ditrigonal-pyramidal


species: F Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-dipyramidal


species: O Tb

crystal_class_orig: orthorhombic-bipyramidal


species: Rh Ta

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cr O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a b c d d

Wyckoff_letters: d d d d d d


species: H Ti

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Fe Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Pt


species: Gd O

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Mg O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Nb O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Sc


species: Cr F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O W


species: Cr Ti

crystal_class_orig: ditrigonal-scalahedral


species: O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i


species: F Mg

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 a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


species: Ni O

Wyckoff_letters_orig: a b f f

Wyckoff_letters: a b f f


species: Ag Bi

crystal_class_orig: tetrahedral


species: Si Ti

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class: orthorhombic-bipyramidal


species: O Pd

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Cr P

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: In Y

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: Cu Li

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo Ti

crystal_class: dihexagonal-dipyramidal


species: Li Zn

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Cu Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Bi O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: O Tl


species: I Tc

Wyckoff_letters_orig: e e


species: Ni Sc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Zn


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge Se

Wyckoff_letters_orig: a c


species: Nb O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: F Ni

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca O

crystal_class_orig: hexoctahedral


crystal_class: ditrigonal-scalahedral


species: Pb S

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: I Mn

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_letters: b g


species: O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Cr Fe


species: Ga V


species: Ca N


species: Ge S

crystal_class: tetrahedral


species: O Pt

species_pp: O Pt


species: K O


species: Ca Cu


species: Ag Cu


species: O Pb

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i


species: O W

Wyckoff_letters_orig: a a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c


species: Cu O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


species: Cu Nb


species: Mg S

crystal_class: ditrigonal-pyramidal


species: Fe P


species: Se Zn

species_pp: Se Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ni W


species: Ca Li

Wyckoff_letters: a c


species: O Ru


species: Cd Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cd F

Wyckoff_letters: b a


species: Ir O

species_pp: Ir O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: As V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: i i i

Wyckoff_letters: a c i i i


species: O Re

crystal_class: ditetragonal-dipyramidal


species: O Sc

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: K Mg


species: Os Y

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: O W


Wyckoff_letters_orig: a c


species: Ni O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: P Pd

crystal_class_orig: diploidal

crystal_class: diploidal


species: Hf Tc


species: Ag W


species: H Zr

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Pd


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: As Cr

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ir Mn

crystal_class: orthorhombic-bipyramidal


species: O Sr


species: Co K

crystal_class_orig: dihexagonal-dipyramidal


species: Bi 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


Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Fe Y

Wyckoff_letters_orig: c e g i i i i j j j j

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: c e g i i i i j j j j

Wyckoff_letters: a i


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Zn Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mg


species: I O

species_pp: I O

Wyckoff_letters_orig: a c g g

Wyckoff_letters_orig: b g g g g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a c g g

Wyckoff_letters: b g g g g g g


species: K O


species: Cr O


species: Cu Mo


species: I Ta

crystal_class_orig: trigonal-trapezoidal


species: Co Cu


species: Co Mo

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Zn

species_pp: Co Zn


species: Cr Fe

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr Ni


species: Fe Mo

Wyckoff_letters: b c


species: Fe V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mn Ni


species: Mn V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Mn W

crystal_class: hexoctahedral


species: Ni W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Cu


species: Cr Mo


species: Cr Zn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cu Fe


species: Cu Ni

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cu Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Zn


species: Mn Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn Ti


species: Mo Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ti Zn


species: V Zn


species: W Zn


species: Cl Pb


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cs Ta


species: Hg Ho

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Hg In


species: Hg Li

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Hg Mg

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hg Rb

crystal_class_orig: ditetragonal-dipyramidal


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Te

species_pp: Hg Te


species: Ca Nb


Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: K Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Gd Zn

species_pp: Gd Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Cr Sm


species: Ce Sm


species: Co Tb


species: Cr Yb


species: Cu Pr


species: Cu Yb


species: Dy Fe


species: Mn Nd


species: Ni Pr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sm Zn


species: Ba I


species: Co I

species_pp: Co I

crystal_class: triclinic-pinacoidal


species: Ag I

species_pp: Ag I

crystal_class: dihexagonal-pyramidal


species: I Rb

crystal_class_orig: hexoctahedral


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cr Re

crystal_class: ditetragonal-dipyramidal


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Zn Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Cr


species: Cu Hg


species: Ag Pt

species_pp: Ag Pt


species: Cd Co

species_pp: Cd Co


species: F Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Cs


species: Hg Sc


species: Co Hf


species: Hf Hg


species: La Tc

Wyckoff_letters_orig: a l


species: Ir Rh


species: Mn Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a n


species: Co I


species: Cr I

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


Wyckoff_letters: i i i i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe I

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: I Li


species: I Mg


Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I Ni

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag I

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: I In

Wyckoff_letters_orig: a b


species: I Sn

species_pp: I Sn


species: I Sb

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

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Cu I

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: h g


species: I Zn

species_pp: I Zn

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l m m

Wyckoff_letters_orig: a c l

Wyckoff_letters: k l m m

Wyckoff_letters: a c l


crystal_class_orig: dihexagonal-pyramidal


species: I Sr

crystal_class_orig: diploidal

crystal_class: diploidal


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Cs I


species: La Mn


species: Nb V


species: V Zr


species: Cd Co


species: Pt Y


species: Ni Sc


species: Rh Zn


species: Au In

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Se


species: Ru Zn


species: Sc Zr


species: Cd Ni


species: Ta Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Ru


species: Hf Mo


species: Hf Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Zr


species: Ta W

Wyckoff_letters: g h


species: Hg Ru


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Ag Sc


species: Cu Hg


species: Pt Sc


species: Al Ce

species_pp: Al Ce


species: Li O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Nb Rh


species: Fe K

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Mo


species: Cr O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Os Th

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Cr Se

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cd F

species_pp: Cd F


species: Nb Zn


species: Cr F

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pb

Wyckoff_letters_orig: e e


species: O Sc

crystal_class_orig: trigonal-trapezoidal

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: K O

sg:
Pnma #62
Immm #71
Immm #71

sg2:
Pnma #62
Pnma #62
Immm #71


species: Au Cu

crystal_class_orig: ditrigonal-dipyramidal


species: O Re


species: Cu Ru

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: I Nb

crystal_class_orig: ditrigonal-pyramidal


species: O Si

species_pp: O Si

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68

Wyckoff_letters_orig: c e g h

Wyckoff_letters: c e g h


species: Bi Sn

Wyckoff_letters_orig: b b a a c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b a a c


species: S Sn

species_pp: S Sn


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Fe


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


crystal_class_orig: ditrigonal-scalahedral


species: Hg La

species_pp: Hg La


species: I Zn

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: Hf O

Wyckoff_letters: e e


species: Ag Cr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Zn Zr

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: O Zn

species_pp: O Zn

crystal_class: hexoctahedral


species: Li O

crystal_class: ditrigonal-dipyramidal


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Ge Se

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a a


species: Ti Zr


species: Fe O

crystal_class: ditrigonal-scalahedral


species: Cs Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ir Re


species: Co Li

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c c

Wyckoff_letters: f c


species: Ca Ge

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e e e f g h i i

crystal_class: tetrahedral

Wyckoff_letters: e e e e f g h i i


species: Au Fe

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: C O

species_pp: C O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: F Fe

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Mg

crystal_class_orig: ditetragonal-dipyramidal


species: O Sn

species_pp: O Sn


species: Ge Lu


species: Ce Si

species_pp: Ce Si

sg:
Pnma #62
Pmmn #59
P4/mmm #123

sg2:
Pnma #62
Pmmn #59
P4/mmm #123


species: La Si

species_pp: La Si

Wyckoff_letters_orig: c c


species: Au Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Pt

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O W

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: K Li


species: Ca Cl

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cr F

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cr Li


species: Ag O

species_pp: Ag O


species: O Ti

aflow_prototype_params_list_orig: a b/a c/a y2


species: La Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f f

Wyckoff_letters: e e f


species: Br Ta

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d e f g g

Wyckoff_letters_orig: f g

Wyckoff_letters: d e f g g

Wyckoff_letters: f g


species: Hg Pd

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Hg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Pd


species: Nb Pt

crystal_class_orig: hexoctahedral


species: Co Ni


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li S


species: Fe 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: Sc Sn

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: F Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: As W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Zr

sg:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Ag Bi


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: I V

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Tc


species: O Sc


species: Cr Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Zn

sg:
Pmma #51
Pmma #51
Pmma #51


species: Fe Li


species: Hf O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Ti


species: F V

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a g g g g g g

Wyckoff_letters_orig: b c g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a g g g g g g

Wyckoff_letters: b c g g


species: Ni Y

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: La Re

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: K O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: O V

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d


species: Cr Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c c c

Wyckoff_letters: d c


species: Pb Te


species: Si Sr


species: Ca Fe


species: Er Ru

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Nb


species: Cd Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: Au Tc

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: b c


species: Nd O

species_pp: Nd O

crystal_class_orig: orthorhombic-bipyramidal


species: Hg Rh

crystal_class_orig: dihexagonal-pyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: Cr F


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Li Mg

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Au V

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Li Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Co O

species_pp: Co O


species: F Ni

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: O Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni O

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Li Tc

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: S Sn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Fe V

crystal_class_orig: ditrigonal-dipyramidal


species: Ca O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Mg Te


species: Ta Y

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cr O

crystal_class_orig: monoclinic-domatic


species: S Tl

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr K


species: Pt Ru


species: Co Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Co


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: As Rh

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

sg2:
Pnma #62
Pnma #62
P4/nmm #129

Wyckoff_letters: c a


species: O Re


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ta Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Zn Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr F

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: O Sc

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: N Nb


species: Nb V


species: O Ti

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: Li O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Tc


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Co Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Gd Ge


species: O W


species: Cs Pb


species: Li Pb


species: Mg Nb


species: Nb Ta

crystal_class_orig: tetrahedral


species: Ni Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Cr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ti


species: Co V


species: Cr Cu


species: Cr Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Mo


species: Cr Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Ti


species: Cr W


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cu Mn


species: Fe Mn


species: Fe V


species: Fe W

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Zn

crystal_class_orig: diploidal


sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mn Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn W


species: Mo Zn


species: V Zn


species: Co Fe


species: Co Zn

species_pp: Co Zn


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class: diploidal


species: Cu Fe


species: Cu Mo

Wyckoff_letters: c d e


species: Cu W


species: Fe Mo


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Ni


species: Ni V


species: Ni W


species: Ti W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: V W


species: W Zn


species: Cl Nb


species: Hg Mg


species: F Nb

crystal_class: monoclinic-prismatic


species: Ca Nb


species: Ca Rb


species: Ca Ta

crystal_class: dihexagonal-dipyramidal


species: K Nb


crystal_class: hexoctahedral


species: Li Nb


species: Pb Ta


species: Rb Ta


species: Mg Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ce O

species_pp: Ce O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Dy O

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Eu O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Fe Ho

crystal_class: ditrigonal-scalahedral


species: Fe Pm

crystal_class: ditrigonal-dipyramidal


species: O Yb

species_pp: O Yb


species: Sm Zn

Wyckoff_letters: b c


species: Ho Pr


species: Pm V


species: Fe Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Dy Fe


species: O Pb

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: Ce Dy

Wyckoff_letters: a c


species: Co Nd

species_pp: Co Nd


species: Co Sm


species: Dy Gd


species: Fe Pr


species: Hf Zr


species: Ho Sm


species: Mn Tm


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


crystal_class_orig: orthorhombic-bipyramidal


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Er Mn


species: Ni Rh


species: Ta V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Re


species: Nb Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Os Rh

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Mo Ta

Wyckoff_letters_orig: a c


species: Os Ta


species: Pd Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Zr


species: Fe Tc


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pd Ru


species: Fe Ta


species: Mn Zr


species: Os V


species: Sc Ta

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Ir


species: Mo Nb

Wyckoff_letters: a f


species: Ag Cr


species: Au Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd V


species: Co Nb


species: Hf Ti


species: Nb W

Wyckoff_letters: a c


species: Sc V


species: Cu Ta


species: Pd Ti


species: Ca I


species: Co I

species_pp: Co I


species: Fe I


crystal_class: tetragonal-scalenoidal


species: I Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: I Ni


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Sn


sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a a a


species: Ni Y

crystal_class: ditetragonal-dipyramidal


species: Cu I


species: I Zn

species_pp: I Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs I


species: Hg Nb


species: Pd Pt

crystal_class_orig: dihexagonal-dipyramidal


species: Au Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b b b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b b b b


species: Mo Pd

Wyckoff_letters_orig: a c


species: Ag Cr


species: Ni O


species: Pt Zr


species: Cd V

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cd Nb


species: Nb V


species: Hf V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: V Zr


species: W Zr


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Ta


species: Pd Se


species: Cu Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hg Ta


species: Rh V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Zr


species: Ca Li

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cu K

Wyckoff_letters: a c


species: Cr F


species: Se Zn

species_pp: Se Zn


species: K Si

Wyckoff_letters_orig: d i k

Wyckoff_letters: d i k


species: Cd S

species_pp: Cd S

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Ca I


species: O Ru

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sn

species_pp: O Sn


species: O Ti

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Ca Co

crystal_class_orig: tetragonal-dipyramidal


species: Mn Pt


species: Cu Mg


species: I Nb

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: In Zr


species: Ca K


species: O W

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: Ag Co

species_pp: Ag Co

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F V

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O

crystal_class_orig: ditrigonal-scalahedral


species: O Zr

Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Pd Rh

Wyckoff_letters_orig: a c


species: Rh Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Ir


species: Ge Se

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: f e e f


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Mn

aflow_prototype_params_list_orig: a c/a z2


species: Ti V


species: Bi O

crystal_class_orig: hexoctahedral


species: Ca Mg

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: K O


species: I Mn

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: K Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cd O

species_pp: Cd O


species: I Nb

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

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: Ca In


species: F Sn

species_pp: F Sn


species: F Nb

Wyckoff_letters_orig: m n

crystal_class: monoclinic-prismatic


species: O Sr

Wyckoff_letters_orig: e e


species: K Se

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Ge S

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cl Hf


species: Mg O

crystal_class_orig: trigonal-trapezoidal

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: O Si

species_pp: O Si

crystal_class_orig: hexagonal-trapezoidal


species: Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Co

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Bi Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class: dihexagonal-dipyramidal


species: Co K

crystal_class: hexoctahedral


species: Fe Ir

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O

Wyckoff_letters: e e


species: Hf O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mn

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: Cr O

crystal_class: ditrigonal-scalahedral


species: O Zr

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: Ca Cu


species: Mn O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: C Ca

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: K O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Li Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pr Si

species_pp: Pr Si


species: S Sn

species_pp: S Sn


species: O Os


species: I V

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Sn Te

species_pp: Sn Te

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Mo O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: F Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu Gd

sg:
Imma #74
Imma #74
Imma #74


species: C Nb


species: Au Tc


species: O W

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Pd


species: Li V


species: O Zn

species_pp: O Zn

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: Co O


species: Co Ru


species: Ca Mn


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f


species: I Ti


species: Mn Ru

crystal_class_orig: diploidal

crystal_class: diploidal


species: Nb Sc


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr F

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


species: Ca Li


species: Bi O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Mg

crystal_class: ditetragonal-dipyramidal


species: O Sn

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Nb Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Hg


species: Ti V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: Cu K

crystal_class_orig: ditrigonal-scalahedral


species: W Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ti


species: Co Re


species: O Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: I Nb


species: Ag Bi


species: O Sr


species: Cr F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Ti

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Fe K


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cr Cu


species: Pd W


species: Ag Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Rh

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Co Mg


species: Co O

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: N O

species_pp: N O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cl Cr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: W Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Tc


species: Mn Mo

aflow_prototype_params_list_relax: a c/a z2


species: Dy O


species: Cd Nb


species: Pb S

crystal_class_orig: monoclinic-prismatic


species: Ca V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: B Mn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a a a

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a a a a a a a a a a a

Wyckoff_letters: a a a a a a a a a


species: O Yb

species_pp: O Yb


species: Ca H

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a c i i i i i i i i i

Wyckoff_site_symmetries_orig: 2/m 2/m m m m m m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i

Wyckoff_letters: a c i i i i i i i i i

Wyckoff_site_symmetries: 2/m 2/m m m m m m m m m m


Wyckoff_letters_orig: b e

Wyckoff_letters: b e

aflow_prototype_params_list_orig: a c/a x3


species: O Sc

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Fe Mg


species: Cr K

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Te V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: S Sn

crystal_class: ditrigonal-scalahedral


species: Se Sn

species_pp: Se Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Ca Cu

crystal_class: hexoctahedral


species: K O


species: Mg O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ni Os

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


crystal_class: dihexagonal-pyramidal


species: Mn Ta


species: Ca Pb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Pb Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Cr

aflow_prototype_params_list_orig: a c/a


species: Cr Ni


species: Fe Ni

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mn Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn V


species: Mo Ni


species: Mo Zn


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ti Zn


species: V Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Co Fe


species: Co Ti


species: Co Zn

species_pp: Co Zn


species: Cr Cu


species: Cr Mo


species: Cu Mn


species: Mo W


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: W Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Pb


species: Hg In


species: Hg Li


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Ca Ta


species: Li Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Pb Ta


species: Rb Ta


species: Cl Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Pb


species: O Pm

species_pp: O Pm

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: O Sm


species: Er Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: diploidal

crystal_class: diploidal


species: F Rb


species: Co Eu

species_pp: Co Eu


species: Ho V


species: Cr Ho


species: Gd Mn


species: Nd V


species: Tb V

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Hg I

species_pp: Hg I


species: I Ni


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal


species: Cs I


species: I Si

species_pp: I Si


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd Mo


species: Mn O

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: O Ti


species: Re Zr


species: Rh Tc


species: Ta V


species: Ta Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: W Y


species: Au Tc


species: Hf Hg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Zn


species: Nb Ni


species: Cd Fe


species: Cd Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo Zr


species: Os Y


species: Be S


species: Pd Zr


species: Au Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ho S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ta


species: Os Re


species: Rh Tc


species: Ru Ti

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Ta


species: Ir Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca I

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Co I

species_pp: Co I


species: Fe I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I K


species: I Li

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


crystal_class_orig: trigonal-trapezoidal


species: I Ni

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e e e


Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Be I


species: Cd I

species_pp: Cd I

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Hg I


species: I Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i


species: Au Zr

Wyckoff_letters: c d e


species: Cu Sc

crystal_class_orig: ditrigonal-scalahedral


species: Y Zr


species: Cu I


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: I Zn

species_pp: I Zn

crystal_class_orig: ditetragonal-dipyramidal


species: I Sr


species: Pd Zr


species: Pt Tc


species: Ir Rh


species: Os Ti


species: Mn Rh

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cd Nb


species: Mo Ru


species: Sc Zr


species: Sc Tc


species: V Zr


species: Nb Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf V


species: Ta W


species: Mo Pd


species: Rh Ru


species: Co Tc


species: Nb V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Nb


species: Au Rh

aflow_prototype_params_list_relax: a c/a x3


species: Ag Mn


species: Au Re


species: Re Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi Ti


species: O Zr

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Pt Zr


species: Co O

species_pp: Co O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: Nb Zr


species: Cu Li

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ta Zr

aflow_prototype_params_list_relax: a c/a


species: F Sb

species_pp: F Sb

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal


species: Ca Fe

Wyckoff_letters_orig: a b


species: Co Pd

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a


species: F Sc

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ca K


species: Hf O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Cd O

species_pp: Cd O


species: Al S

species_pp: Al S

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Li Ti


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c d f


species: I Mn

crystal_class_orig: monoclinic-prismatic


species: F Mn

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: F Ti

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: Cr O

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: Ti Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Mg

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Li V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: W Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d


species: Hg Re

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Sr

sg:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: j j


species: Cr K

crystal_class: dihexagonal-dipyramidal


species: C Ir

species_pp: C Ir

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ca K


species: Ru Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic


species: K Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Eu O

species_pp: Eu O


species: Si Zr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge Te

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Co O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F Ti

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Hg Sc


species: Al Mo

Wyckoff_letters_orig: b c g

Wyckoff_letters: b c g


species: O Sc


species: Dy Pt


species: Li Ti


species: Ca O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: F V


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Pd Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a b d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a b d


species: Cu Ru


species: Ba Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K Mg

crystal_class_orig: ditrigonal-dipyramidal


species: Se Zn

species_pp: Se Zn


species: O Ru

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Cr Fe

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cr O


species: La Pd


species: Be Cl

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Mn Sb


species: Cu F


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

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i i i i i i i i

Wyckoff_letters: i i i i i i i


species: Ca Ti

crystal_class_orig: diploidal


species: O Re


species: Pd Zr


species: Ca V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ta


species: Ca Cr


species: O Sr

crystal_class: hexoctahedral


species: Pt Rh


species: Br In

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mg


species: Co O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: Fe Pt


species: Co F

species_pp: Co F


species: Ge Se

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: C Ru


species: Cl Xe

species_pp: Cl Xe


species: Cu Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h


species: Hg Zr


species: As Ga


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Bi O


species: Li Tc


species: Fe O

Wyckoff_letters_orig: b m

Wyckoff_letters_orig: c m n n

Wyckoff_letters: b m

Wyckoff_letters: c m n n


species: F Ti


species: B Fe

sg2:
Pmma #51
Pmma #51
P4/mmm #123


sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: O Pb


species: Li V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hf O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Zr

Wyckoff_letters_orig: a d


species: I Mg


species: O Ta

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Co K

crystal_class_orig: ditetragonal-dipyramidal


species: Ca V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V

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


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: K O

sg2:
Immm #71
Immm #71
Immm #71


species: Cr F

sg:
Pbca #61
Pbca #61
Pbca #61


species: O W


species: Cu Th


species: Cd W


species: Cu Li


species: Cd O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Li Tc

Wyckoff_letters: a h


species: Ni Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Au Ga


species: Pb Sr

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Cr O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Mn Zr


species: O Zn

species_pp: O Zn


species: C Mo


species: Ca O


species: Ga Rh

Wyckoff_letters_orig: a e e e e

Wyckoff_letters: a e e e e


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ti Zn


species: Hf O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Co O

Wyckoff_letters_orig: d c

Wyckoff_letters: c d


species: Nb O

Wyckoff_letters: d d


species: Co Li


species: Cu F

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

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

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


species: Al Dy


species: Dy Ir

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Tc

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Bi O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Ca I


species: I Tc

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f