species: Bi Pd

crystal_class: ditetragonal-dipyramidal


species: Mg Te

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

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: B N

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

crystal_class_orig: ditetragonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

crystal_class: ditetragonal-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT


species: Li Ti

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Ag Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Fe La

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Co O

species_pp: Co O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: c f

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: c f


species: Ca Cr

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: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: MCLC

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


species: Cr Ti


Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Li Ni

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Lu Pb

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Hf Mn


species: Hf Ru


species: Bi Cs

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nd S

species_pp: Nd S

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Rh V


species: Cu Mg


species: Cu O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: I Nb

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

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: O Ti

crystal_class_orig: trigonal-pyramidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

point_group_structure: cyclic

Wyckoff_letters: a b b


species: K O


species: Sn Te

species_pp: Sn Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

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: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c c


species: Co Ti

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

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cu Fe

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: K Pb


species: Mg Nb


species: Li Pb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


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

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: TRI

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

Wyckoff_letters_orig: a c i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

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

Wyckoff_letters: a c i i i i i i


species: Cr Ti

Wyckoff_letters: a c


species: Fe Ti


species: Co Ni

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: Cr Ni


species: Fe Mo

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC


species: Fe Ni

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn Mo

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mn W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Mn


species: Co V


Wyckoff_letters_orig: a c


species: Cr V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: a e


species: Mn Zn


species: Mo Ni

Wyckoff_letters_orig: c i

Wyckoff_letters: d 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: Ni Ti


species: Ni W


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Cl Cs


species: F Rb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Hg K


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Rb


species: Nb Pb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cl Nb

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

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: a f

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Cl Pb

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a


species: O Pb

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c a


species: O Sm


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Tb Yb


species: Cu Pm


Wyckoff_letters_orig: d b i

Wyckoff_letters: e i


species: Gd V


species: Ce Fe

Egap_DOS_type: metal

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: Ce Ti


species: Ce V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Pm

species_pp: Co Pm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Tb


species: Cu Gd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Dy Mn


species: Er Pm


species: Er V


species: Pm Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag I

species_pp: Ag I

Egap_DOS_type: insulator


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Au Pt

species_pp: Au Pt


species: Co Rh

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: Co Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Zn Zr


species: Au Re


species: Re Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ba Sn


species: Co Re


species: Rh V


species: Ag Cd

species_pp: Ag Cd


species: Fe Os


species: Mo Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni Pd


species: Sc Ta


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Ru


species: Hf Pd

crystal_class: diploidal


species: Nb Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Zr


species: Tc V


Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Co I

species_pp: Co I


species: I K


crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


Egap_DOS_type: half-metal

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Ag I


species: I In

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Sc


species: Rh Zr


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


species: Hf Y


species: La Mo

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ag Pd


species: Hg Os


species: Co Tc


species: Hf Ir


species: Ir Ta


species: Cu La

crystal_class_orig: ditrigonal-scalahedral


species: La Ru


species: Cd Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Tc


species: Ir Nb


species: Mn Pt


species: Mo Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Zr


species: Os Re

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: V Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Fe Pt

crystal_class: ditrigonal-scalahedral


species: Ag Mn


species: Ag V


species: La Rh

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Mo


species: La W


species: Fe Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Au Hf


species: Mo Pd

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Os W


species: Y Zr


species: Sc W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Au Y


species: Pb Te


species: Nb O

Wyckoff_letters_orig: a a

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


species: Ag Bi


species: Co Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: I Mn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr F

Wyckoff_letters_orig: c c


species: Au Fe

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a x2


species: Li V


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Cu K

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ti Zn


species: O Sc

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ca Tc


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Se Sn

species_pp: Se Sn


species: O W

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Al F

species_pp: Al F


species: Ni O


species: Fe Mg


species: O Zr


species: Nb Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn

species_pp: O Sn


species: O Ti

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: Cr O


species: O Pd


species: Cd Nb


sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a b c d

Wyckoff_letters: a b c d


species: Fe Ga


species: Mn O

sg:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c c c


species: Rb Sb

Wyckoff_letters: a a


species: Ni S

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: O Sr


species: F V

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m


species: Cu Nb


species: O V

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Mn

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: I Mn

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m


species: Fe Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Zn


species: Mg O


species: Bi Ti


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters: b a d d


species: C Sm


species: Ir Ta


species: Fe Hg

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: I Ni


species: Nb O

Wyckoff_letters_orig: a b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c


species: Li Tc


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ba N

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a


species: O Sc

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni Pd


species: Ca F

Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: Ni W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a h i m m

Wyckoff_letters_orig: h m

Wyckoff_letters: a h i m m

Wyckoff_letters: h m


species: Re Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ge O


species: O Ru

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Hf Mn

crystal_class: tetrahedral


species: K Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe K


species: Li V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Tb

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Cr O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Zn

species_pp: O Zn

sg:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ga Yb


species: I Nb

Wyckoff_letters_orig: c d d d d d

Wyckoff_letters_orig: a b c d

Wyckoff_letters: c d d d d d

Wyckoff_letters: a b c d


species: Fe O

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: Nb O

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Li Pb

Wyckoff_letters_orig: a e e e e e e f g h h h h

Wyckoff_letters_orig: e e f g

Wyckoff_letters: a e e e e e e f g h h h h

Wyckoff_letters: e e f g


species: Li O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Fe I


species: Co Mn


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a a


species: Ni Zr


species: Te Zr


species: Co Rh

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Ta


species: Cu Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V


species: Pd Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sn


species: F Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Gd S

species_pp: Gd S


species: Br Ta

crystal_class_orig: rhombohedral


species: Fe Ge


species: Mo O


species: I Nb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb O


species: I Ni


species: Sc W


Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: F V


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: H Ti


species: Ti V


species: Nb Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: Au Dy


species: O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Cr O


species: Hf W


Wyckoff_letters_orig: h k

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h k


species: Ti Zr

sg:
Immm #71
Immm #71
Immm #71


species: Li V


species: Ca O

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: Os Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ni V


species: Ag Sc


species: Co V


species: Os Ru


species: O W


species: Fe Zn


species: Ca Cr


species: Pb S

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: O Sn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Bi Ti

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


species: H V

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Pb Sr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: I Nb


species: Co O

species_pp: Co O


species: Li Ti


species: Pb Te

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Ca Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Bi O


species: N Re

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Hf Y

crystal_class: hexoctahedral


species: Ca Fe


species: Pt Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Pt Zn

species_pp: Pt Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: C Os


species: S Sn

species_pp: S Sn

crystal_class_orig: tetrahedral


species: Co Cu


species: Cu Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Ti


species: Co Cr


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Co Fe


species: Co Ni


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Cu

Wyckoff_letters_orig: c c


species: Cu Ti


species: Fe Ni


species: Ni W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ti V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ti W

Wyckoff_letters: c c


species: V Zn

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: diploidal

crystal_class: diploidal


species: Co Mn


species: Co W

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Ti

crystal_class: ditrigonal-scalahedral


species: Cu Mo

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Mo

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Ti


species: Mn V


species: Mo W


species: Co Cr

sg2:
Pnnm #58
Immm #71
Immm #71


species: Hg Ho

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg In

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Li


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te


species: Ca Rb


species: Li Rb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Rb


crystal_class_orig: ditrigonal-scalahedral


species: Nb Pb


species: Cl Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: O Sm


species: Co Ti


species: Gd Nd

species_pp: Gd Nd


species: Ho Mn


species: Eu Ti


species: Cl Pb


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ce Ho


species: Ce Sm


species: Dy V


species: Er Sm


species: Fe Nd


species: Fe Tm


species: Co I

species_pp: Co I


species: I Pb


species: Cd I

species_pp: Cd I


species: Cs I


species: Ag Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Fe Y


species: Hf W


species: Pt Ru

Wyckoff_letters: c e d


species: Ru W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Zr


species: Co Pd


species: Cd Cs


species: Fe O

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 Cd

species_pp: Ag Cd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Re

Wyckoff_letters_orig: c c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


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

Wyckoff_letters: a a a a b c d d

Wyckoff_letters: d d d d d d


species: Hg Ru


species: Pd Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ce Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ir Pd


species: Re Rh

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co I

Wyckoff_letters_orig: e e e


species: Cr 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 K

sg:
Cm #8
Fmmm #69
Immm #71

crystal_class_orig: monoclinic-domatic


species: I Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Si

species_pp: I Si

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: I Rb


species: Ag I

species_pp: Ag I

Wyckoff_letters: c c


species: Cd I


Wyckoff_letters_orig: a a

Wyckoff_letters: d c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: m n

Wyckoff_letters: m n


species: Cu Rh

crystal_class_orig: ditrigonal-dipyramidal


species: Fe Tb


species: Cu I


species: I Zn

species_pp: I Zn

sg2:
Pbcm #57
Cmme #67
I4/mmm #139


species: Ga I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I Sr


species: Mo Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Ni

crystal_class: tetrahedral


species: Cd Os

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Re


species: O Ru

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Os Re

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Rh

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Os Tc


species: Au Os


species: Cu Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: 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 c b b

crystal_class: ditrigonal-pyramidal

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


species: Tc Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo Ni


species: Co Ho


species: O V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Sc Tc


species: Ag Pd


species: Hf V


Wyckoff_letters: a d


species: Mo Zr


species: Ta Ti


species: Ag Se


species: Hf Nb


species: Hf W

Wyckoff_letters_orig: a c


crystal_class_orig: tetrahedral


species: Nb V


species: Nb W


species: La Tc


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Os


species: Ag Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ba Se


species: Fe Y


species: Ag Fe


species: Pd Ru

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cr Pr


species: Dy O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: d a


species: O Sr

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: O Zr

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


species: I V

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr O

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: O Ti


species: Ca Zn

Wyckoff_letters: c d e


species: Ag Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h


species: Cu O


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


Wyckoff_letters_orig: a d


species: Ag Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c a


species: S V


species_pp: Co O


species: Li V


species: Ta Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni Sn

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg O

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Sc Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti V

Wyckoff_letters: a d


species: I Tc

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Li Ti


species: Cr Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn Si

Wyckoff_letters_orig: e e e f

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: e e e f

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m 1


species: Ni O

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a


species: Ca F

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmma #51
Pmma #51

Wyckoff_letters_orig: e h

Wyckoff_letters: a f


species: Li Ni

crystal_class_orig: diploidal


species: Ni Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ir Ta


species: Pb Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: C Mg

Wyckoff_letters_orig: a a a a b b b b c c c c c c c c d d d d d d e e e e e e f f f f f f f f f f f f


species: Y Zr


species: Ca V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir O

species_pp: Ir O

crystal_class: ditetragonal-dipyramidal


species: Co O

crystal_class: tetragonal-scalenoidal


species: Co K


species: Cr Se


species: Mg O


species: Li Ti

Wyckoff_letters_orig: a d


species: Nb O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe O


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li Tc

crystal_class_orig: tetragonal-dipyramidal


species: O W


species: Ca Tc


species: Ta V


species: Cr O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h h


species: I Nb

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

Wyckoff_letters_orig: c c c c c c b

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

Wyckoff_letters: c c c c c c b


species: B N

crystal_class_orig: ditrigonal-scalahedral


species: O Ti

crystal_class_orig: monoclinic-prismatic


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: La Sn

species_pp: La Sn

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Cu La

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: I Tc

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a d d

Wyckoff_letters: a e f


species: Ca Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Ni


species: W Zn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: O Rh


species: C I

species_pp: C I

Wyckoff_letters_orig: g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g


species: Cr Mg

crystal_class: ditrigonal-scalahedral


species: Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: F Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Ni Zr


species: Fe Zn

Wyckoff_letters_orig: a i i j j

Wyckoff_letters: a i i j j


species: O Sr

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Mn Ni

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Ta Te


species: La Mo


species: I Ta

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: Li Zn


species: Pt Zr


species: Mn Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Bi Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Cu 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: O Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: a h

Wyckoff_letters: h g

Wyckoff_letters: a h


species: F V

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


species: Cr O


species: Pt Rh

crystal_class: ditrigonal-dipyramidal


species: Cd La

species_pp: Cd La


species: Hg K

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: I Ni


species: Ir O

Wyckoff_letters_orig: a a


species: C N

species_pp: C N

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters: a b c c

Wyckoff_letters: a a b b c c


species: Cr Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Cr F

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: La Ti


species: Ni W


species: I Mn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Ge

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: i m

Wyckoff_letters: d e

Wyckoff_letters: i m


species: Ca F

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

crystal_class: hexoctahedral


species: Nb O

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ga Y


species: O Tc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

crystal_class: diploidal


species: P S

species_pp: P S

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c d

Wyckoff_letters: c d


species: O Sn


species: O Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Ti Zr


species: O Pt

species_pp: O Pt

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: F V


species: I Nb

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

Wyckoff_letters_orig: c c c b b b a

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

Wyckoff_letters: b b b c c c a


species: Co Li

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: I Mg

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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: Fe O

crystal_class_orig: ditetragonal-dipyramidal


species: Co Cu


species: O V

crystal_class: ditetragonal-dipyramidal


species: Pt Zn

species_pp: Pt Zn


species: Cu Ta

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Re


species: Mn Nb


species: Mo Os


species: I Ti


species: I V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ca Cr

Wyckoff_letters: b c


species: O Sc


species: Sn Te

species_pp: Sn Te


species: Cl Rb


species: Li Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni W


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Ca Mn


species: Co O

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


species: Co K

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: Ce Cu

Wyckoff_letters_orig: c c c c d

Wyckoff_letters: c c c c d


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ta

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Cu K


species: I Ti

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I V


species: Mg Pb


species: K Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr Ti

Wyckoff_letters_orig: a f


species: Cu V


species: Fe W


species: Fe Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Ni


species: Mo Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Co Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Cu


species: Cu Ti


species: Cu W


species: Cu Zn


species: Mn V


species: Mn Zn


species: Mo W


species: Ni V


species: Ti V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ti Zn


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
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: Hg Mg


species: Hg Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: diploidal


species: Cl Ta

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 Ta

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Cs


species: Cl Pb


species: Ce O

species_pp: Ce O

crystal_class_orig: tetragonal-trapezoidal


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: b c


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: b c d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b c d


species: O Sm

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ce V

crystal_class_orig: ditrigonal-scalahedral


species: Ni Sm

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu Yb


species: Pr V


species: Ho Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nd V


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Sm Ti


species: Ba I

crystal_class_orig: monoclinic-prismatic


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal


species: Cr I

Wyckoff_letters: a a


species: I Rb


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ag Cr


species: Au Ir

species_pp: Au Ir


species: Ge La

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Re

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Pd


species: Mo Pd


species: Pt Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pt Y

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ag Cu


species: Ir V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Re


species: Sc Y


species: Hg V


species: Mn O

Wyckoff_letters_orig: b c


species: Mn Ru


species: Pt Zn


species: Au Ta


species: Ir Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Cd

species_pp: Au Cd


species: Hg Y

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

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


species: Fe Rh


species: Mo Ta


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Os

Wyckoff_letters_orig: c e


species: Tc V


species: Ca I

Wyckoff_letters_orig: i i


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe I


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Be I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: I Si

species_pp: I Si

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn


species: I Pb

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

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: Cd Pd


species: Hf Os


species: Hf Ti

Wyckoff_letters: c d e


species: Cu I

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


crystal_class_orig: dihexagonal-pyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs I


species: Tc Y


species: Co Hg

species_pp: Co Hg

crystal_class_orig: hexoctahedral


species: Os Pd


species: Au Tc


species: Hg Rh


species: Re W


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ag Hf

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Au Cr


species: Mn O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ru Zn

Wyckoff_letters_orig: a l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a l


species: Pt V


species: Au Zn

species_pp: Au Zn


species: Hf Hg

crystal_class: ditrigonal-dipyramidal


species: Hf Re


species: Hg Sc


species: Nb Re


species: Au Rh

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Sc


species: Mg Te

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Ir Rh


species: Hf Zr


species: Nb Ti


species: Ta W

crystal_class: ditrigonal-scalahedral


species: W Zr

crystal_class: hexoctahedral


species: Hf V

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ru Ta


species: Au Cr

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Cd Mo


species: Fe Ir


species: Hf Mn


species: Mn Tc


species: Os V


species: Ru W


species: Ag V

Wyckoff_letters_orig: c d e


species: Au W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg O

species_pp: Hg O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Mn Sm

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: O Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Re


species: Ba Si

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mn Os


species: Cr O

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Fe Sc


species: Ca O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Mg Si

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a c i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i i i

Wyckoff_letters: i i i


species: La O

species_pp: La O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: K Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Y Zn


species: Cu W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: F Nb


species: Hg W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Ni


species: I Mg


species: Mg O

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: O W

crystal_class: ditetragonal-dipyramidal


species: Ca Co

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Li O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Tc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Pb S

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: F Mn


species: Os Pt


species: Fe O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f


species: Hg Mo


species: O Sn

species_pp: O Sn


species: Mg Se

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cr Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ce S

species_pp: Ce S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Zn

species_pp: F Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i


species: Cu Mg

crystal_class_orig: diploidal


species: I Mn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Hf Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I V


species: Li Mn


species: Co Cu


species: O Zn

species_pp: O Zn


species: Mo O

Wyckoff_letters: b e


species: Hf Te

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: N Pt

species_pp: N Pt


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Nb O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Ti


species: Pb S

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Ti

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Li


species: Cr Li

crystal_class_orig: ditrigonal-scalahedral


species: O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: O Tc

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: Ni O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Co Li

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h p


species: Co Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Co Hf

Wyckoff_letters_orig: i j j j

Wyckoff_letters: i j j j


species: S Sn

species_pp: S Sn


species: P Zr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Cl Te

species_pp: Cl Te

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: f f


species: H S

species_pp: H S

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a


crystal_class_orig: ditetragonal-dipyramidal


species: Co O

species_pp: Co O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Cr Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ni


species: Cr Si

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: In Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Re


species: Sc W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ge Sc

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

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


species: Ta Ti


species: Cd W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Os Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Mg


species: Dy Si

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I Ti


species: K Li

Wyckoff_letters: c e d


species: Mo N


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Os

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Er O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Ca Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O V

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: F Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

Wyckoff_letters: c a i


species: O Sc

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Ge Te

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Mo


species: O W

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Nb Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Ti

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Pb S


species: Fe O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c d

Wyckoff_letters: e e


species: Pt Ta

Wyckoff_letters_orig: e e


species: Mn O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pd Y

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Eu O

species_pp: Eu O


species: Ce O

species_pp: Ce O


species: Ca V


species: F Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: Cu Mg


species: Bi Ti


species: Ca Li


species: Ni O


species: Mo Ni

crystal_class: hexoctahedral


species: O Ti

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Bi O


species: Cr O


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: O Re


species: Er Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Os


species: Ir Zn

species_pp: Ir Zn


species: Fe Li

crystal_class: ditrigonal-scalahedral


species: Cu Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V


species: O Tl

Wyckoff_letters_orig: c d


species: Se V


species: I Mn


species: O Sc

sg:
Pbcn #60
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


crystal_class: diploidal


species: O Zr

crystal_class_orig: monoclinic-domatic


species: Cr K


species: Cr Li


species: Cd O

species_pp: Cd O


species: Re Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Ti


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Mg

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: Ge Te

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Cr W

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Li O


species: Co Li


species: V W


species: Cu Hf


species: Cd Zr

sg2:
Pnma #62
Imma #74
Cm #8


species: O Sr

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Cu Li


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e e

Wyckoff_letters: f c


species: Hf Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Mo


species: F Ge

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Bi Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O W


species: Cu Mg


species: Ge Rh


species: O V

crystal_class_orig: diploidal


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr F


species: Ca F

crystal_class_orig: monoclinic-prismatic


species: Os V


species: Ca K


species: Co K

crystal_class_orig: ditrigonal-scalahedral


species: Nb Os

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd F

species_pp: Cd F

crystal_class: monoclinic-prismatic


species: Eu O

crystal_class_orig: hexoctahedral


species: Sc W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ti

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Cr Mg

crystal_class: ditetragonal-dipyramidal


species: O Rb

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co W


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Fe

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Zn


species: Mn W

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mo V


species: Mo Zn


species: Ni Zn

crystal_class_orig: tetragonal-dipyramidal


species: Ti Zn

crystal_class: tetrahedral


species: V Zn


species: Co Cr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Cu

crystal_class_orig: ditetragonal-dipyramidal


species: Co Ni


species: Co V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Mn


species: Cr Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Mo


species: V W


species: Cl Rb


species: Hg In


species: Hg K


species: Hg Li

crystal_class: tetragonal-dipyramidal


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: Cl Pb

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ca Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cs Ta


species: Li Rb


species: Mg Rb


species: K Ta


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Er O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Tb Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Tb


species: Pr Tb


species: F Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Dy


species: Ho Pr


species: Ce V


species: Co Nd

species_pp: Co Nd


species: Cr Er


species: Cu Ho


species: Er Tb


species: Er Yb


species: Gd Zn

species_pp: Gd Zn


species: Ni Sm


species: Tb Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: I In


species: Cd Cr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni Y


species: Pt Ru


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ru Ti


species: Cd Ir

species_pp: Cd Ir


species: Cd Rh


species: O Sn

species_pp: O Sn

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Ru Ta


species: Ru Tc


species: Tc Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Ru


species: Co Ir

species_pp: Co Ir


species: Ag Co

species_pp: Ag Co


species: Co Nb


species: Cu Ta


species: Mn O

sg:
Imm2 #44
Immm #71
Immm #71

Wyckoff_letters_orig: a c c

Wyckoff_letters: a f e

Wyckoff_letters: c e f


species: Nb Sc


species: Co Rh


species: Nb W


species: Ag Nb


species: Cd Co

species_pp: Cd Co


species: Cd Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Os V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca I

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g g


Wyckoff_letters: d d


sg:
Pmmn #59
Pmmn #59
Cmm2 #35

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


sg:
Pnma #62
Cmcm #63
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co I

species_pp: Co I


species: I Li


species: I Mg


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: I Ni

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


species: Be I

Wyckoff_letters: c c


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a a a a b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b

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


species: I Sn

species_pp: I Sn


species: I Sb

Wyckoff_letters_orig: a a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b


species: Ba I

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: d b i

Wyckoff_letters: b c i


species: Hf Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: La V


species: Ru Ta


species: V Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu I

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


Wyckoff_letters_orig: b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: I Zn

species_pp: I Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ga I

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: I Sr

crystal_class: orthorhombic-bipyramidal


species: Cd Co


species: Pt W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Cd

species_pp: Ag Cd

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Au Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd V


species: Os Ti


species: Cd La

species_pp: Cd La


species: Cr Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Cd

species_pp: Au Cd


species: Au Os


species: Ti Zr


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ag Hg

species_pp: Ag Hg


species: Hg Ru


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: a b

Wyckoff_letters: a e

Wyckoff_letters: a b


species: Hf V


species: Mo Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Nb


species: Ta Ti


species: Ta W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Sb


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: Ag W


species: Fe Zr


species: Pd S

Wyckoff_letters: a b c


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Nb


species: Ba O


species: Cr Li


species: Co Fe


species: Fe I


species: Cd O

species_pp: Cd O


species: Ni O

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Cr O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


species: Ca Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c


species: Re Zr


species: O Pt

species_pp: O Pt

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: K Li

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


species: Cr K


species: K Mg

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cr Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V


species: Hf V


Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e

Wyckoff_letters: a c

Wyckoff_letters: d c


Wyckoff_letters_orig: a c

crystal_class: hexoctahedral


species: Mg O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: As Pd


species: C Os


species: Li Ti

Wyckoff_letters_orig: a b


species: Ir O

species_pp: Ir O


species: As Ni

Wyckoff_letters_orig: e e f f f

Wyckoff_letters_orig: e f f f f f

Wyckoff_letters: e e f f f

Wyckoff_letters: e f f f f f


species: O Os

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Mo O


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: H Zr

crystal_class: ditrigonal-scalahedral


species: O Sc

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: O Zn

species_pp: O Zn


species: Mo Rh

sg2:
Pnma #62
Cmcm #63
Cmcm #63


crystal_class_orig: tetrahedral


species: F Mn


species: Ag Bi


species: Li Mg

Wyckoff_letters_orig: b c


Wyckoff_letters_orig: a b c g i l

Wyckoff_letters_orig: u u

Wyckoff_letters: a b c g i l

Wyckoff_letters: u u


species: Ti Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: I V

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: V Zr


species: O Sn

species_pp: O Sn


species: Ca I


species: I Ti

crystal_class_orig: monoclinic-prismatic

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


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: F V

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Ti


species: O Tc

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: F Ti

crystal_class_orig: ditrigonal-scalahedral


species: O V

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Ca Co

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pb Se

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

crystal_class_orig: orthorhombic-bipyramidal


species: F Ni

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a c g h


species: O Pd


species: Hf Os

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Mg

crystal_class_orig: dihexagonal-pyramidal


species: Ca O

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a c e

Wyckoff_letters: a g n

Wyckoff_letters: b g n

Wyckoff_site_symmetries: mmm 2mm .m.


species: Cr O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Mo Si

crystal_class_orig: dihexagonal-dipyramidal


crystal_class: ditetragonal-dipyramidal


species: Cu F

sg:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a b

Wyckoff_letters: a c


species: Cr Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a c


species: I Tc

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co F

species_pp: Co F


species: Te Zr

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Sn Te

species_pp: Sn Te


crystal_class_orig: hexoctahedral


species: Bi O

Wyckoff_letters_orig: d f

crystal_class: tetrahedral

Wyckoff_letters: e g


species: I Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Al F

species_pp: Al F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Zr

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Zr


species: Ca K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Rh

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ge Te

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Au Mg

Wyckoff_letters_orig: d g i i j j j k

Wyckoff_letters_orig: b g g i

Wyckoff_letters: d g i i j j j k

Wyckoff_letters: b g g i


species: Ge Ni

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b c c c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b c c c c


species: I V

sg:
Pnma #62
Pnma #62
Pnma #62


species: O Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cd F

species_pp: Cd F


species: Li Tc


species: Mg Te


species: F Mg

sg:
Ibam #72
Ibam #72
I4/mcm #140

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ge Ir

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a a


species: Cr O


species: Li O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: c i


species: Ca Ni

Wyckoff_letters: a c


species: Mn Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Re Ru

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: F Nb


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Ru V


species: O Si

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a c c d d d e e f f f f f f f f f f

Wyckoff_letters_orig: d d f f f f f f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a c c d d d e e f f f f f f f f f f

Wyckoff_letters: d d f f f f f f


species: F Ta


species: Nb Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: C N

species_pp: C N

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c c c c c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c c c c c c


species: Ca K

crystal_class: orthorhombic-bipyramidal


species: Pb S

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


sg:
Ibam #72
Ibam #72
Ibam #72


species: Mn Pt


species: Li Mg


species: Cd O

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


sg:
Fmmm #69
Fmmm #69
Fmmm #69


species: Li Mn


species: Nb O


species: Bi O


species: F Sr


species: Fe O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Rh


species: Cr Se

Wyckoff_letters_orig: a g i j

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Al Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cl Xe

species_pp: Cl Xe


species: P Zn

species_pp: P Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Zn


species: F Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: K Mg


species: O Rh


species: Li O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j


species: Cu K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Ru


species: Ni O


species: Ca Pb


species: Cs Pb


species: K Pb


species: Mg Nb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Cu


species: Cr Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti V


species: Co Cr


species: Co Zn

species_pp: Co Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: c i


species: Cu V


species: Fe V


species: Mo Ni


species: V W


species: V Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Ca Cl


species: F Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Hg Ho


species: Hg Yb

species_pp: Hg Yb


species: Hg In


species: Hg K


species: Hg Li


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Rb


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


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

Wyckoff_letters_orig: e e

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

Wyckoff_letters: e e


species: K Rb


Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Mg Rb


species: Pb Ta


species: Cs K

Wyckoff_letters_orig: a h


species: Cl Mg

Wyckoff_letters_orig: a a


species: Dy O


species: Dy Gd


species: Ho Tb


species: Ho Zn


species: Pm Zn

species_pp: Pm Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho Ti


species: Ce Cr


species: Ce Nd

species_pp: Ce Nd


species: Co Dy


species: Dy Yb


species: Eu Ho


species: Fe Yb


species: Gd Sm


species: Gd Tb


species: Mn Nd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Yb


species: Cd I

species_pp: Cd I


species: Hg I

species_pp: Hg I

sg2:
Immm #71
Immm #71
Immm #71


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


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: Ag Sc


species: Hf Os


species: Mn Pd


species: Ni Pt


species: Sc Zr


species: Ta V

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Cd Cr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cd Ni


species: Cr Os

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cs Pb


species: Mo Ta


species: La Pt

species_pp: La Pt


species: Mn Nb


species: Mn Re


species: Hg Y


species: Ni Ru


species: Cr Y


species: Fe Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: a e


species: Ca I


species: Co I

species_pp: Co I

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


crystal_class_orig: monoclinic-prismatic


species: Fe I


species: I K

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: a e

Wyckoff_letters: c d


sg:
Pnma #62
Pnma #62
I4/mmm #139

sg2:
Pnma #62
Pnma #62
I4/mmm #139

crystal_class_orig: orthorhombic-bipyramidal


species: I Mg

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: I Ni

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Be I

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: Ba I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu I


species: Al I

species_pp: Al I

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: b f k


species: I Sr


species: Cs I


species: Pd Sc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ru W


species: Cd Ti

crystal_class_orig: hexoctahedral


species: Co Hg

species_pp: Co Hg


species: Hf Tc

Wyckoff_letters_orig: a l


species: Ir Ni


species: Ru Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ba Ge

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

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


species: Cr Tc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Ta


species: Cu Tc


species: Fe Nb

Wyckoff_letters: a e


species: Ir Zn

species_pp: Ir Zn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Os V


species: Si Te

species_pp: Si Te

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Ibam #72
Ibam #72


species: Zn Zr


species: Ti Zr


species: Hf Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ta


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf W

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Hf Zr


species: Hf V


species: Ta Zr


species: W Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd Rh


species: Au Fe


species: Tc Zn


species: Co Os


species: Co Ru


species: Mn Ta


species: Er Ti


species: Mn Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: h h


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Ca Cu

crystal_class_orig: ditrigonal-dipyramidal


species: Hg Pd


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I V

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: c i i i


species: Cu La

sg:
Pmma #51
Pmma #51
Pmma #51


species: Co O

species_pp: Co O


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Nb

Wyckoff_letters_orig: e f


species: P Pr

species_pp: P Pr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Ba N


crystal_class: ditetragonal-dipyramidal


species: Pb S

crystal_class: diploidal


species: Ir Rh


species: Li O


species: Co K


species: V Zr


species: Cu W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Li Mn


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e


species: B Pd


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: b d


species: O Ru

crystal_class_orig: diploidal


species: Hf Zr

crystal_class: tetrahedral


species: Mo O


species: Cr O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Mg O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: C Ta


species: Br N

species_pp: Br N

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Cu O


species: O Tb

Wyckoff_letters_orig: i i i


species: Mo Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Y


species: O Pt

species_pp: O Pt

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cu Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo N

crystal_class: dihexagonal-dipyramidal


species: F Mn


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Bi

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Eu O

species_pp: Eu O


species: Ca F

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b a


species: Bi Ti


species: Ni W


species: Hf Zr


species: Cd Pd

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Cu Mo


species: Fe Li

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca Ni


species: Li Mn


species: Ag V


species: O Sc


species: Ca Zn


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


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

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m m m m


species: Ag Tc


species: K Mg


species: Mn W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Zr

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c c c c


species: I Nb

Wyckoff_letters: c c


species: Cu Li

sg:
Immm #71
Immm #71
Immm #71


species: Pb Se


species: Cu F

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Ho Te

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f h

Wyckoff_letters: e e

Wyckoff_letters: f h


species: Mn Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Ti

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ir O

species_pp: Ir O


species: Li Mg


species: Ca Fe

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


sg:
Pma2 #28
Cmme #67
Cmme #67

sg2:
Pma2 #28
Cmme #67
Cmme #67


species: Rh Tc


species: Ca F


species: Ca O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Au Ti

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: S Zn

species_pp: S Zn

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

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


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-prismatic


species: Co F

species_pp: Co F

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: Cd Ta

Wyckoff_letters: d g


species: Li P


species: F Mn

Wyckoff_letters_orig: i i


species: Eu O


species: Mo O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Co

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd W


species: Ca Mg


species: Co K

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hf Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg Re


species: Ir Th

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: B Mn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni


species: Ag Rh


species: Mg Ni

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: c j k

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a g

Wyckoff_letters: c j k


species: O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: b a e e e


species: I Zn

species_pp: I Zn


species: Ru Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W


species: Ca O


species: Fe H

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e g h j k k

Wyckoff_letters: a e g h j k k


species: Cd O


species: Ca Mn

crystal_class: hexoctahedral


species: Mn Ni


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca K


species: Co K


species: O Tl


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni O

Wyckoff_letters: f e


species: O Ti


species: I Mn

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Tc W


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: O Sn

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Te Zn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: B Fe


species: Ca H

Wyckoff_letters_orig: e e e e e f f

Wyckoff_site_symmetries_orig: m m m m m 1 1

Wyckoff_letters: e e e e e f f

Wyckoff_site_symmetries: m m m m m 1 1


species: Fe Mo


species: Ca O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f


species: Ca Cu


species: Au Be

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb W


species: Cr K


species: Fe K

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mn O

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O Tb

crystal_class: ditrigonal-scalahedral


species: Ir O

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: F Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni W

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: O Sc

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: F Mn


species: Fe Mg

sg2:
Pnma #62
Pnma #62
Pnma #62


sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: Bi Ni


species: Mg O


Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m


species: Fe Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Zn

Wyckoff_letters: a e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pb Rb


species: Mg Pb


species: O Rb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: Cr Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Mn

crystal_class_orig: dihexagonal-dipyramidal


species: Fe W

crystal_class_orig: ditetragonal-dipyramidal


species: Co Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Ni

crystal_class_orig: hexoctahedral


species: Cu Ti


species: Fe Mo

crystal_class_orig: ditrigonal-scalahedral


species: Fe Zn

Wyckoff_letters: c c


species: Mn Ti


species: Mo Ti


species: Ni Ti


species: Ti Zn


species: Co V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Cu


species: Cr Mo


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Mo


species: Mn Mo


species: Mo Ni


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Zn


species: V Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca F


species: Hg Mg


species: Hg Yb

species_pp: Hg Yb


species: Hg In


species: Hg Rb

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


crystal_class_orig: ditrigonal-dipyramidal


species: K Rb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Nb

Wyckoff_letters: a h


species: Ca Rb


species: Li Nb


species: Li Rb


species: Li Ta


species: Mg Rb


species: Mg Ta


species: Rb Ta


species: Cl K

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Pb


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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: O Pm

species_pp: O Pm

Wyckoff_letters_orig: g j

Wyckoff_letters: g j

Wyckoff_letters: g h


species: O Pr

species_pp: O Pr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Co Yb

species_pp: Co Yb


species: Fe Tb


species: Nd V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ni Tb


species: Cu Eu


species: Er Fe


species: Dy Mn


species: Cl Cs

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Ce Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Mn


species: Mn Pr


species: Nd Pr

species_pp: Nd Pr


species: Tb Zn


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: c c

Wyckoff_letters: c c


species: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ir Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Tc


species: Re V

crystal_class: tetrahedral


species: Au Tc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd W


species: Au Ru


species: Dy Ti


species: Mo Re


species: La Tc


species: Mo Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Pd


sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a e


species: Pr V


species: La Ti


species: F Rb


species: Mo Y


species: Ca I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cr I


species: Fe I

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I K

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: c i i i

Wyckoff_letters: d i i i


Wyckoff_letters_orig: e e


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag I

species_pp: Ag I


Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m


species: I Sn

species_pp: I Sn

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

Wyckoff_letters_orig: c c c

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

Wyckoff_letters: c c c


species: I Sb

species_pp: I Sb


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Co Hf


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a

Wyckoff_letters: a b

Wyckoff_letters: a a


species: V Y


species: Cu I

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: I Zn


species: Hf Tc


species: Ho Ti


species: Y Zr


species: Mo Rh


species: Ag Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La W

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mo Tc


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Eu Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf La


species: Mo Nb


species: Rh Sc


species: V Zr


species: Ta Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ti Zr

Wyckoff_letters: c e d


species: Hf V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Nb Ti


species: Hf Ta


species: Nb W


species: Nb Zr


species: W Zr


species: Co Re

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Cr Ru


species: Co Pd


species: Cd Re


species: Pt Rh

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb Zn


species: Cu Ga