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: I Sr

Egap_DOS_type: metal

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

point_group_type_orig: centrosymmetric

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: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: c c

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

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: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: c c


species: Cd Nb

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a c


species: Eu Zn

species_pp: Eu Zn

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: c d e

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: c d e


species: V Zr

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

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

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a


species: Ce Pm

species_pp: Ce Pm

crystal_class_orig: ditrigonal-dipyramidal

point_group_structure_orig: dihedral

crystal_class: ditrigonal-dipyramidal

point_group_structure: dihedral

aflow_prototype_params_list_relax: a c/a z2


species: Au V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


species: Cr Zr

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: Sc Zn

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: In Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a


species: Cu Sc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a e

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a e


species: Hf W


species: La Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca I

Egap_DOS_type: insulator

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


point_group_structure_orig: symmetric

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe I

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

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: I K

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_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

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

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

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


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

reciprocal_lattice_type: RHL

Wyckoff_letters: d e f


species: I Mg

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_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: 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 e e e

Wyckoff_letters: e e


species: I Ni

crystal_class_orig: diploidal


species: Be I


species: Ge I

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Zr

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: I In

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: a a a


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Au La

species_pp: Au La


species: Au Nb


species: Pd Sc


species: Cu I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Hf

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: c i

reciprocal_lattice_type: MCLC

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: Co Hg

species_pp: Co Hg


species: Cu Zr


species: Fe Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Y Zr

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Hf Ta


species: Sm Tb


species: Hg Ti


species: Mo Ru


species: Os Pd


species: Hf Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hf Ti


species: Mo Ta


species: Ta Zr


species: Mo Nb


species: Mo Zr


species: Rb S


species: Co Nb

Wyckoff_letters_orig: a e

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: a e


species: F Ta


species: Pd Ti


species: Ta V

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a f

aflow_prototype_params_list_orig: a b/a c/a


species: Au Rh


species: Fe Pt


species: Rh W


species: Er Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Rh


species: La Ru


species: Ru Ti


species: Hg W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Sn Sr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


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: O Zr

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m


species: Fe Hf


species: O Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: S Zn

species_pp: S Zn


species: Fe O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: He N

species_pp: He N


species: I Ti


species: O W

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

Wyckoff_letters: b a e e e


species: O Ti

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

crystal_class: gyroidal

point_group_Schoenflies: O


species: Nb O


species: Mo Ru


species: Cd O

species_pp: Cd O


species: Ca Tc


species: O V

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c

crystal_class: orthorhombic-sphenoidal


species: I Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Fe


species: Ca Cr


species: Cr V

point_group_Schoenflies: T

point_group_structure: alternating


species: Cu F


species: Cr Li


species: O Sc


species: I Ta

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: K Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: N O

species_pp: N O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: f h

Wyckoff_letters: b c

Wyckoff_letters: f h


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pd Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Re


species: La S

species_pp: La S

Wyckoff_letters_orig: e g g

Wyckoff_letters_orig: a e g g g g

Wyckoff_letters: e g g

Wyckoff_letters: a e g g g g


species: Li O


species: F Sr


species: Ca Li


species: Ge Se


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Nb


species: Gd Si

species_pp: Gd Si


species: Co F

species_pp: Co F

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: b 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: b f

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Li Tc


species: I Ti


species: Nb Ni

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Li Mn


species: Co Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O

crystal_class_orig: ditetragonal-pyramidal


species: O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ir Y

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Os Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Mg


species: Ge Ni

Wyckoff_letters_orig: a b c c c c c

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

Wyckoff_letters: a b c c c c c

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


crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m


species: Cd P

species_pp: Cd P

Wyckoff_letters_orig: a a


species: Pt Sr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: Cu O

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


species: Nb W


species: O Tb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: S Th


species: Er Ge

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: W Zr


species: Al Au

species_pp: Al Au


species: I Nb


crystal_class_orig: hexoctahedral


species: Co Mg


species: Mn V

Wyckoff_letters_orig: a d


species: F Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O

Wyckoff_letters_orig: e e


species: Mo Pt


Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: C W

crystal_class_orig: dihexagonal-dipyramidal


sg:
Pbcm #57
Cmcm #63
Cmcm #63

sg2:
Pbcm #57
Cmcm #63
Cmcm #63


species: Mn Ti


species: Cu I


species: Cu Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Ag Y


species: Co Re

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: Co F

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Mn


species: F Li


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters: b a


species: O Ti

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Al Sc


species: Li V


species: O Zr

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Re Zr


species: Si Te

species_pp: Si Te

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

Wyckoff_letters: e a e i i i i d c


species: O Tc


species: Cr Li


species: F Ni

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

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

crystal_class: ditrigonal-pyramidal

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


species: Li O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-bipyramidal


species: Gd Pd

crystal_class: hexoctahedral


crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: 2/m m m m m


species: O Pb

crystal_class_orig: tetrahedral


species: Ba S

crystal_class: ditetragonal-dipyramidal


species: Mg Se


species: O W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: O V

crystal_class: dihexagonal-dipyramidal


species: Ag Co

species_pp: Ag Co


species: Co Li

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cr Hg


species: Cr Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


species: O Zn

species_pp: O Zn


species: Hg Y

Wyckoff_letters: a d


species: La Sn

species_pp: La Sn

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: a h

Wyckoff_letters: b k

Wyckoff_letters: a h


species: Ir O

species_pp: Ir O


species: I V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ir Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Al Y


species: Al Dy

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d

Wyckoff_letters: c d

Wyckoff_letters: d d


species: Ca F

Wyckoff_letters_orig: b b a a a a

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

Wyckoff_letters: b b a a a a

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


species: Rh Sm


species: In O


species: Mn O


species: Fe Os

Wyckoff_letters_orig: a c


species: Co Ni


species: Mo O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Pd Ru


species: I Li


species: Ca O


species: F Mn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


crystal_class_orig: diploidal


species: O Zr


species: O Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Ca Pb


species: Co V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Mo


species: Cu V

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ni Ti


species: W Zn


species: Co Mo


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Cu


species: Cu Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Ti


species: Fe W


species: Mn W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mo V


species: Ti W

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ti Zn


species: V W

sg:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: F Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Pb


species: Hg Se

species_pp: Hg Se


species: Hg Ho

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg In


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Te

species_pp: Hg Te


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f


species: K Rb

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Li Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Rb


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Hg Li

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Er O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Dy Ho

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Gd Sm


species: Fe Ho


Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g g g

Wyckoff_letters: g g


species: Ce Mn


species: Ce Dy


species: Ce Ti


species: Cr Tb


species: Cu Yb


species: Dy Er

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Gd Mn


species: Gd Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mn Sm


species: O Pr

species_pp: O Pr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pm Yb

species_pp: Pm Yb


species: Co I

species_pp: Co I


species: Ce Ho


species: Cr Re


species: Fe Re


species: Hf V


species: Nb Sc


species: Nb Ta


species: Ag Tc


species: Ni Pd


species: Ag Pt

species_pp: Ag Pt

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Cs


species: Cu Y


species: Ir Zr


species: Cd Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: a l


species: La Ti

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ir V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters: a l


species: Pt W


species: Ag W

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: c g


species: Cr Ru


species: Au Pd


species: Cr Rh

Wyckoff_letters: c d


species: Fe Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Rh

Wyckoff_letters: a h


species: I Mn

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: Cu Pd


species: Hg Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Ti


species: Pt Zr

sg2:
Pmmn #59
Pmmn #59
P4/nmm #129


species: Au Os

Wyckoff_letters_orig: a h


species: Co I

crystal_class: diploidal


Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Cr I


Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: a b g g


crystal_class: monoclinic-sphenoidal


species: Fe I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I K


species: I Mg


crystal_class_orig: hexoctahedral


crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m m n n n

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e e e


species: Be I

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmma #51
Pmma #51

Wyckoff_letters_orig: e h


species: Ge I

Wyckoff_letters_orig: a a a a


species: I Zr

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Ba I

sg:
Pmna #53
Cmmm #65
P4/mbm #127

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters: e h


species: Hg I

species_pp: Hg I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b a a a a

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


crystal_class: orthorhombic-bipyramidal


species: I Pb

Wyckoff_letters_orig: e e e


species: Au Zr

crystal_class_orig: dihexagonal-pyramidal


species: Rh Tc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu I

crystal_class_orig: ditrigonal-scalahedral


species: I Zn

species_pp: I Zn

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: I Sr

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Cd Y

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Rh Zr

crystal_class: hexoctahedral


species: Au Y

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Pd

crystal_class: dihexagonal-dipyramidal


species: Hf Mo


species: Os W


species: Hg Zr


species: Mn Pd

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: S Tl

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sc V


species: Cu Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Hf


species: Hf Mn

crystal_class_orig: ditrigonal-dipyramidal


species: Ag Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf V


species: Hf W


species: Nb Zr


species: V Zr


species: W Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Mo

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hf Zr

Wyckoff_letters: c d e


species: Nb Ti


species: Nb V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Re Tc


species: Re Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Sr Te

crystal_class_orig: hexagonal-dipyramidal


species: Ta V


species: Pt Zr


species: Re Ta


species: Hf Rh

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Au Hg

species_pp: Au Hg


species: Au Ru


species: La Zr


species: Os Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Mn Rh

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Nb Re


species: Os Tc

crystal_class_orig: monoclinic-prismatic


species: Rh Ru


species: Sn Ti


species: W Y


species: O Zn


species: Zn Zr


species: Mn Sc


species: Pr Te

species_pp: Pr Te


species: Co Pt

species_pp: Co Pt


species: Bi O


species: Fe W


species: K O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: Cu F

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


Wyckoff_letters: a c


species: C Y

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Mn


species: Nb O


species: Ca K

Wyckoff_letters_orig: a c


species: Ag Tc


species: Al Sc


species: Ti W


species: La Rh


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: c a


species: Hf O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: F Mg

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ru

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Li Tc


species: Cu Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co K

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Mg Si


species: Cr O

Wyckoff_letters_orig: e e


species: Sc Zn


species: Cl Yb

species_pp: Cl Yb


species: Co F

species_pp: Co F

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Li Mn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Mn


species: O Zr


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li O

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Mo O

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: C Si

species_pp: C Si

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

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


species: Fe Ta


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: S Zn

species_pp: S Zn


species: O Ti

crystal_class_orig: monoclinic-domatic


species: Cu K


species: Bi Ti

crystal_class_orig: diploidal


Wyckoff_letters_orig: a f h


species: In O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Cr Fe

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d


species: O Sc


species: Cd Ru


sg:
Pbcn #60
Cmcm #63
P4/mmm #123

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Pt Tc


species: F Ni

crystal_class_orig: rhombohedral


species: Co Sc


species: Mn O

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Br K

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: b d

Wyckoff_letters: f g

Wyckoff_letters: b d


species: O Tc

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e c


species: F Ga

Wyckoff_letters_orig: a d


species: S Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Zn

species_pp: Pt Zn


species: I K

crystal_class_orig: hexoctahedral


species: O P

species_pp: O P

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e f

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: e e f f

Wyckoff_letters: e e f

Wyckoff_site_symmetries: m m 1


species: Ca Mn

Wyckoff_letters: a d


species: Pb S


species: Cr F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Co Hf


species: Ca V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Mg

crystal_class_orig: ditrigonal-pyramidal

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: La Ti


species: O Zn

species_pp: O Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: F Sr


species: Eu O

species_pp: Eu O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: ditrigonal-scalahedral


species: Cr K


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Li Ti


species: Co Pd


species: Co K


species: K Li

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Ir

species_pp: Co Ir


species: O Rh

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd Cr


species: Mg Si

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

Wyckoff_letters_orig: 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

Wyckoff_letters: i i i


species: Be P


species: C Fe

Wyckoff_letters_orig: c c c c c c c

Wyckoff_letters: c c c c c c c


species: Nb O

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Ni Zr

Wyckoff_letters_orig: a d


species: K Mg


crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Ir O

species_pp: Ir O

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c


species: Co O


species: I Nb

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

Wyckoff_letters_orig: c c c c b

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

Wyckoff_letters: c c c c b


species: Cd O


species: F Hg

species_pp: F Hg


species: Co Nb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters: a d


species: O Zn


species: Cr O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: Co Ir

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb P


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: Ag Y

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Co Zr


species: Ca Cr


species: Ru W

sg2:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

crystal_class: diploidal


species: F Li

crystal_class_orig: monoclinic-prismatic


species: Ca O

Wyckoff_letters_orig: a d


species: Nb O

Wyckoff_letters: c c


species: Fe Ni


species: O Tb


species: Ta Y

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Ti


species: I Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters: a l


species: Eu Si

species_pp: Eu Si


species: O Tl

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b


species: As Cd

species_pp: As Cd

Wyckoff_letters_orig: a a b b b

Wyckoff_letters_orig: b b b b b b

Wyckoff_letters: d g e

Wyckoff_letters: g g g


species: Au Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Li


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F K

Wyckoff_letters_orig: e e


species: C Fe

Wyckoff_letters_orig: a b e g

Wyckoff_letters: a b e g


species: O Yb

species_pp: O Yb


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zn


species: Ni Te

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: O Re


species: Cd Zr


species: Hf Rh


species: Cr Hg


species: Cu K


species: Cd O


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a c c c c c c c c

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

Wyckoff_letters: a c c c c c c c c


species: C K


species: Mg Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Pb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ta

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Ca Pb


species: Co Cu

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr V


species: Cr W


species: Ni V


species: Co V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class_orig: ditrigonal-dipyramidal


species: Fe Mn

crystal_class_orig: diploidal


species: Fe Ni


species: Fe W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Ni


species: Mo W


species: Mo Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni W

crystal_class_orig: hexoctahedral


species: Ti Zn


species: Cu Mo

crystal_class: orthorhombic-bipyramidal


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Mo


species: Mn Mo

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn V


species: Ni Ti


species: Ti V


species: V W


species: W Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cl Rb


species: Cl Mg

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: O Pb


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hg Li


species: Hg Mg


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Ta

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: F Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Li Ta


crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb Rb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


crystal_class: hexoctahedral


Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Dy O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Tb V

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Er Eu


species: Cl Nb


species: Ca Cl

crystal_class: tetrahedral


species: Cu Dy

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Cu Tb

crystal_class: ditrigonal-scalahedral


species: Dy Ni


species: Dy Pm


species: Er Ho


species: Er Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ho Mn


species: V Yb


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: I Si

species_pp: I Si


species: Ag Cr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ir Nb


species: Mo Ta


species: Os Re


species: Ta Y


species: Co Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F K

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Rh Ru


species: Fe Sc


species: Hg Y


species: Mo Zr


species: Ni Ta

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: Cd Mo


species: Ir V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ag W


species: Co Hg

species_pp: Co Hg


species: Cu Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Er Sm


species: Hg Ru

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: La Mo


species: Os Re


species: W Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Al O

species_pp: Al O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Au Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Y


species: Ru Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Rh


species: Cr Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: N W


species: Pd Zn


species: Ca I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cr I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: I K

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


sg:
Pbcn #60
Cmcm #63
Cmcm #63


species: I Li


species: I Mg


species: I Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Be I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I Zr


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Hg I

species_pp: Hg I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Fe Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu I

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m

Wyckoff_letters: c b

Wyckoff_letters: m n


Wyckoff_letters: d c d


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Al I

species_pp: Al I


species: Ga I

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: I Sr


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ru Tc


species: F Pd


species: Hg Y


species: Cl Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cu Hg


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Zr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Hf W


species: Nb V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Zr


species: V Zr


species: Hf Mo

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf V


species: Mo Ta


species: Os W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ta W


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Yb

species_pp: Co Yb


species: Cr Ir


species: Hg Mn

Wyckoff_letters_orig: b c


species: Ir Re


species: Pt Sb

species_pp: Pt Sb

crystal_class: diploidal


species: Mn Nb

Wyckoff_letters: b d


species: Re Ti


species: Ag Cd

species_pp: Ag Cd


species: Ag Ni


species: Cr Hg


species: Ag Mn


species: Pd Te

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c

Wyckoff_letters: c c


species: Au Hg

species_pp: Au Hg


species: Tc V


species: Ga Ti

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Ir O

species_pp: Ir O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Ge Te

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Pb S

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


species: F Mn


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a e i

Wyckoff_letters: d b i


species: O W


species: Li O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ta

Wyckoff_letters_orig: a b


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Fe Mg


species: Ca K


species: Pt Tc


species: Cr O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Se

crystal_class: orthorhombic-bipyramidal


species: Cu F

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd O

species_pp: Cd O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b


species: Al O

species_pp: Al O

Wyckoff_letters_orig: d c


species: Ca Ni


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Pb


species: Ag Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Nb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b c


species: Nb O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a beta x6 z6


species: Li O


species: Ca Ti


species: Cl Ti

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: As La

species_pp: As La

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a a a


species: K Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cu O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sr


species: Ca O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: O Sn

species_pp: O Sn


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Si Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g


species: I Mn

Wyckoff_letters_orig: a c


species: O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c


species: Co Mg

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ni O


species: Li Mg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe N

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Hf Pt


species: I V

crystal_class_orig: diploidal


species: Ag V

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Sc V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Cd Cs

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Eu Si

species_pp: Eu Si

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Rh

crystal_class_orig: tetragonal-trapezoidal

crystal_class: ditetragonal-dipyramidal


sg:
Immm #71
Immm #71
Immm #71


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: Co F

species_pp: Co F

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Ni Ru

crystal_class: dihexagonal-dipyramidal


species: Cr F


species: K Li

Wyckoff_letters: a c


species: Cd Zn

crystal_class: tetrahedral


species: S Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: N Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c c

Wyckoff_letters: c c c


species: Br Sm


species: O Zn

species_pp: O Zn

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

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

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: Cd V


species: Li V

crystal_class: ditrigonal-scalahedral


species: O Zr

crystal_class_orig: triclinic-pinacoidal

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

crystal_class: triclinic-pinacoidal

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


species: Co Mg


species: Co Nb


species: F Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Gd Sb

species_pp: Gd Sb


crystal_class_orig: tetrahedral


species: Hf W


species: Ca Si


species: Te Tl

sg:
Cmcm #63
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: c d f g g

Wyckoff_letters_orig: h h

Wyckoff_letters: c d f g g

Wyckoff_letters: h h


species: O Ru


species: Au Sc


species: Rh Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: O Y

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


species: Bi Cs


species: F Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Mg


species: O Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a e

Wyckoff_letters: a b

Wyckoff_letters: a e


species: Fe N

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Bi Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li Ti


crystal_class: diploidal


species: Li Ni


species: In Se

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a


species: Cd O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zr

sg:
Pbca #61
Pbca #61
Pbca #61


species: Mo Os


species: F Ni

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Er O


species: Fe Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


species: Cr Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: I Ti


species: Co Mn


species: Mo O

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: As Co

species_pp: As Co


species: K Li


species: As Te

species_pp: As Te


species: K Mg


species: I Ni


species: Rh Zn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Fe Re


species: Ca Tc


species: O Tc

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Li O

crystal_class_orig: trigonal-trapezoidal


species: Au Zn

species_pp: Au Zn


species: Ni V


species: F Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I Tc


species: Cu O


species: I Nb


species: Ca O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: O Re

Wyckoff_letters_orig: e e


species: Fe K

sg:
Pnma #62
Pnma #62
Pnma #62


species: Ba N

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: g m

Wyckoff_letters: g m


species: Cr F

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

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

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

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


species: F Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Mn Pd


species: Nb O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Cr K


species: Cu K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sr


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg Nb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Rb


species: Co Ti


species: Co W


species: Cr W

Wyckoff_letters_orig: a l


species: Fe Mn


species: Ni Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti W


species: V W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Cr


species: Cr Ti


species: Cu Fe


species: Cu Mo


species: Fe Ti


species: Fe V


species: Mn V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo Ni


species: Mo W


species: Mo Zn


species: W Zn


species: F Mg


species: Hg Li


species: Hg Mg

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


species: Hg Te

species_pp: Hg Te


species: Hg Tl


species: Hg Rb


species: Hg Se

species_pp: Hg Se

crystal_class_orig: tetragonal-dipyramidal


species: Ca Nb


species: K Ta


species: Mg Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Pb


species: O Pb


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Dy O


species: Fe Nd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nd Zn

species_pp: Nd Zn


species: Ce Fe


species: Cu Sm


species: Fe Pm


species: Cr Dy


species: Pr Ti


species: Cr Sm

crystal_class_orig: ditrigonal-dipyramidal


species: Ce Ni


species: Co Ho


species: Cr Pr


species: Er Sm


species: Er Zn


species: Eu Ni


species: Gd Tb


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ni Tb


species: Tb Ti


species: Tm V


species: V Yb


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Re


species: Ni Ru


species: Cr Rh


species: Cr Zr


species: Tc Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Ti


species: Ag Zr


species: Cr Pd


species: Os V


species: Ta Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Tc


species: Fe Os


species: Ir Ta


species: Mo Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au Y


species: Pd Re


species: Pt Zn

species_pp: Pt Zn


species: Au Mo


species: Pt Y


species: Rh Ta

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Hf Ta


species: Hf Pt


species: Co I

species_pp: Co I


species: Fe I

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: I K

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: I Li

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


Wyckoff_letters: e e


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Ni

crystal_class_orig: hexoctahedral


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn


species: Ba I

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


sg2:
Ibam #72
Ibam #72
I4/mcm #140


species: Hg Os

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Zn


species: I Zn

species_pp: I Zn


species: Ga I

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: i a


species: Ni Pd

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Pt Tc

crystal_class_orig: ditrigonal-scalahedral


species: Ir Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Ru Ta


species: Ni Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Re Ru


species: Ta V


species: Er Ti


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Pd


species: C Fe

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn Pd

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Re Y


species: Hf Ta


species: V Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Ta

crystal_class_orig: diploidal


species: Pt W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hf Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: La Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc Zn


species: Au Re


species: La Nb

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Au Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Mo


species: Hf Y


species: Ba Pd


species: Cr Sc


species: Li Mg

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu K


species: Os V


species: Tc Zn


species: Cr O

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: e e

Wyckoff_letters: c c c d e


species: Ca Cu

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Rh


species: I Mg

crystal_class_orig: 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: F V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: S Zr

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h h h h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h

Wyckoff_letters: a h h h h h


species: Dy O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i


species: O Ru

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ni O

crystal_class_orig: tetragonal-trapezoidal


species: Li Ni

crystal_class: ditetragonal-dipyramidal


species: Cr K

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal


species: Ge Tb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


crystal_class_orig: ditrigonal-pyramidal

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

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

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


species: La Ru

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Mn

crystal_class: hexoctahedral


species: W Zr

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b


species: Mg O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca Cu

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Os


species: V W

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: I Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ru Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F V

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c


species: Co O

species_pp: Co O


species: La Zn

species_pp: La Zn


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ba Bi


species: Li V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Te

species_pp: Cd Te


species: Bi Ti


species: Br Ta


species: Ge S

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ce Ru

Wyckoff_letters_orig: a b f g h h h

Wyckoff_letters_orig: h h h

Wyckoff_site_symmetries_orig: .m .m .m

Wyckoff_letters: a b f g h h h

Wyckoff_letters: h h h

Wyckoff_site_symmetries: .m .m .m


species: Er Rh


Wyckoff_letters_orig: d d

crystal_class: diploidal

Wyckoff_letters: d d


species: Co Hf


species: O Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Mo Tc

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O V

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: I Mn


species: Ga Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Te

species_pp: Pt Te


species: Hf Zr


species: K O


species: Co Mg


species: Ca Fe

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sn

species_pp: O Sn

sg2:
Pbca #61
Pbca #61
Pbca #61

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Co P

species_pp: Co P


species: Ir O

species_pp: Ir O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: F V

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ag La

species_pp: Ag La

crystal_class_orig: hexoctahedral


species: V Y


species: Tc Zn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ba O


species: Ta Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O V

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Nb O

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47


species: Co Li

crystal_class_orig: ditrigonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: O W

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Mn


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


sg:
Imm2 #44
Immm #71
Immm #71

sg2:
Imm2 #44
Immm #71
Immm #71


species: F Ti


species: Li O


species: Cr Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ti

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Li Zn


species: Ca Tc


species: I Te

species_pp: I Te

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Fe Pt

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Zn

crystal_class_orig: ditrigonal-scalahedral


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c g

Wyckoff_letters: c e

Wyckoff_letters: c g


species: P S

species_pp: P S


species: Au Cr


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ir O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cr O

crystal_class: orthorhombic-pyramidal


species: Cu F


species: Co O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Hg Zr


species: Ca I


species: Mn Rh


species: Co F

species_pp: Co F

sg2:
Pnnm #58
Immm #71
I4/mmm #139


species: Nb Zn


species: Au Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: C S

species_pp: C S


species: C Yb

species_pp: C Yb


species: Ca Mn


species: I V

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Tl

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Ag Sr

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Mg Nb


species: Bi O


species: O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: h i


species: O Sr

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


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La Os


species: Fe O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Al Tb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Fe


species: Rh Tc


species: Ca O


species: Li Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pt Te


species: Ni Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Ni


species: Ru Zn


species: I Mn

crystal_class_orig: monoclinic-sphenoidal


species: Li O

sg:
Pbca #61
Pbca #61
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zn

crystal_class_orig: monoclinic-prismatic


species: O Ti


species: Mn W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Pt


species: F Sr


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ga Nb


species: B Mg

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cd O

species_pp: Cd O


species: Fe I


species: Cl Cu


species: Cu O


species: Ca F

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ge S

Wyckoff_letters_orig: n m


species: O Tc

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Mg Pb


species: O Rb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Lu S

species_pp: Lu S


species: Cr Fe

Wyckoff_letters_orig: a h


species: Co W


species: Cr Zn


species: Fe Ti


species: Mo Ni


species: Mo Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Ti Zn


species: Co Cu


species: Cr Ti


species: Cu Ni


species: Cu Zn

Wyckoff_letters_orig: b d


species: Fe Mn


species: Fe Mo

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Zn


species: Mn Ni


species: Mn W


species: Mo V


species: Mo Zn

Wyckoff_letters: a h


species: Ni W


species: Co Ti


species: Cl Li


species: Hg Li


species: Hg Ho


species: Hg In

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ca Nb

Wyckoff_letters: a b


species: Li Nb


species: F Rb


species: Cl Nb

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: O Pr


species: O Yb

species_pp: O Yb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Ho Pr

crystal_class: ditetragonal-dipyramidal


species: Mn Nd


species: Ce Yb

species_pp: Ce Yb


species: Co Yb

species_pp: Co Yb

Wyckoff_letters: b d


species: Cu Ho

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Dy Fe


species: Dy Mn

crystal_class: dihexagonal-dipyramidal


species: Dy Tb


species: Er Ti


species: Eu Mn


species: Mn Yb


species: Ga I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Hg I

species_pp: Hg I

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni


species: I Pb


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ge I

crystal_class_orig: diploidal


species: I In


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: Au La

species_pp: Au La

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71


species: Cu Ta


species: Au Fe


species: Cd Co

species_pp: Cd Co


species: Cu Y


species: Ni Sc


species: Pt Ti


species: Fe Nb

crystal_class: tetragonal-dipyramidal


species: Ir Ti

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Co Zr


species: Hf Ti


species: Cr Y


species: Nb Ru


species: Pd Zr


species: Ho Pm


species: Pd Tc


species: W Zr


species: Co I

species_pp: Co I

crystal_class: ditrigonal-scalahedral


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Fe I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

Wyckoff_letters: n g h


species: I Li

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Be I


species: Ge I

Wyckoff_letters_orig: b b


species: I Zr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a b e e

Wyckoff_letters: b a e e


species: Ag I

species_pp: Ag I

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Hg I


species: I Pb

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Co Os


species: Hg Nb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Ta

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu I


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


crystal_class_orig: hexoctahedral


species: Ga I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: f g

Wyckoff_letters: a d

Wyckoff_letters: f g


species: Cl Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Au Ru

crystal_class_orig: ditrigonal-dipyramidal


species: Cd Hg

species_pp: Cd Hg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr Re

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Cu Os


species: Os Rh

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Cr Y

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu Ru

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pt Tc


species: Ag Rh

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Hg

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg La

species_pp: Hg La


species: Pd Sr

Wyckoff_letters_orig: a c


species: F I

species_pp: F I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ta


species: Hf Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sm V


species: V Zr


species: Nb W


species: Ta Ti


species: Ta W


species: Ti Zr


species: Hf Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Mn


species: Mo Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters: a e


species: Ti W


species: W Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Zr


species: Hf Y


species: W Y


species: Cu La


species: Cd Hg

crystal_class: diploidal


species: Cu Zr


species: Cd Tc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Rh


species: Hg Nb


species: Ir W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Tc


species: Cu O


species: I O

species_pp: I O

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


crystal_class_orig: tetragonal-dipyramidal


species: Mg Pt


species: S Sn

species_pp: S Sn

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: O Sc

Wyckoff_letters_orig: a a


species: O Sr


species: Cu F

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: Ca Cu


species: Sn Te

species_pp: Sn Te


species: Ge S

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c b d d


species: O Os

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

Wyckoff_letters_orig: i i i i


species: O Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: F Ni


species: As Co

species_pp: As Co


species: Ru Ta


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56


species: W Zr


species: La Mg


species: Co Mg

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Ni O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: b c c a

Wyckoff_letters: d c c c c


species: Ag Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb W


species: Ca Li

Wyckoff_letters_orig: f g h


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu V


species: In Te

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c d e f f

Wyckoff_letters: c f f

Wyckoff_letters: c d e f f


species: Tc W


species: Mo O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: N S

species_pp: N S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Fe


species: Hf O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Hf Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pd

Wyckoff_letters_orig: e e


species: Cr O

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Co O

species_pp: Co O


species: F Ni

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Bi In


species: Au Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: In O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Ti


species: Ca Cu


species: Ni O


species: Li Zn


species: I Mg


species: O Ru


species: F Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


species: Cr F

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Li Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ga Mn


species: Li O


species: I Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Sn Te

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: F Ni

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: Nb Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Sn

species_pp: O Sn

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F V

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: Fe Ti


species: Au Mg

Wyckoff_letters_orig: c c c d d d

Wyckoff_letters_orig: c c c c c c d d d d d d

Wyckoff_letters: c c


species: La Zn

species_pp: La Zn


species: O Sc

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Mn O

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cu O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: g g g g g g g g g g g g

Wyckoff_letters_orig: e g g g g

Wyckoff_letters: g g g g g g g g g g g g

Wyckoff_letters: e g g g g


species: Cd W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O

species_pp: Cd O


species: I Tc

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Li Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rh Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ni O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Co Hf

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Nd Rh

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ir O

species_pp: Ir O


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cu P

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

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


species: F Mn

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Cr W


species: Cr Cu


species: Br Ce

species_pp: Br Ce

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Au Cr

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Ge Se

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Bi Sb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Ca V

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Os Pt

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Li O


species: In O

crystal_class: ditrigonal-scalahedral


species: Mo Nb

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: K Mg


species: Co O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cu W

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Cl Hg

species_pp: Cl Hg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Pt


species: Cu Li


species: O V

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Ni Re


species: I O

sg:
Ibca #73
Ibca #73
Ibca #73

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: d c

Wyckoff_letters: f f

Wyckoff_letters: d c


species: Cr O


species: H Mg

crystal_class_orig: diploidal


species: Be N

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b b b b

Wyckoff_letters: b b b b b


species: Nd Se

species_pp: Nd Se

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge S


species: Pd Y

crystal_class_orig: ditrigonal-dipyramidal


species: Eu O

species_pp: Eu O

crystal_class_orig: ditrigonal-scalahedral


species: Li Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co W

crystal_class_orig: dihexagonal-dipyramidal


species: Fe K


species: K Mg

sg:
Pnma #62
Pnma #62
Imma #74


species: F Ni

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Rb Se

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b

Wyckoff_letters: a a

Wyckoff_letters: a b


species: Fe I


species: Ca O


species: Ga Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Hg


species: Ce Ge


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: B Pd

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F V


species: Nb O


species: Os Sc

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: F Sr

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I V


species: Ir Rh


species: La Sc


species: O Tc

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: a c c c

Wyckoff_letters: a c c c


Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Li Ni

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr Os

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: O V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Fe O


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F Ni

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Ti

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cr O


species: Br Cs

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Rb


species: Ca Pb


species: Pb Rb


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Li Pb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Co W

Wyckoff_letters: c d e


species: Mn Ni

crystal_class: diploidal


species: Co Cr


species: Cr W

sg2:
Pnnm #58
Immm #71
Immm #71


species: Fe Mo


species: Mn Zn


species: Co Fe


species: Cr Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ni


species: Cu W


species: Fe Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn W


species: Mo V


species: Mo W


species: Ni V


species: Ni W


species: Cl Mg

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Cs Li


species: Hg Rb


species: Hg Yb

species_pp: Hg Yb


species: Ca Nb


species: Ca Ta

crystal_class: ditetragonal-dipyramidal


species: K Rb


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Rb Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Rb


species: Hg Li


species: F Pb


species: Ho O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Sm

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Gd Ni


species: V Yb


species: Ce Pm

species_pp: Ce Pm


species: Cr Tb


species: Cu Gd


species: Cl 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: F Nb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Ho


species: Dy Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ho Pm


species: Nd Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Fe


species: Co Nd

species_pp: Co Nd


species: Co Yb

species_pp: Co Yb


species: Cr Dy


species: Dy Er


species: Er Fe


species: Fe Sm


species: Mn Yb


species: Nd Yb

species_pp: Nd Yb


species: Sm V


species: Ti Yb


species: V Yb


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Ti

crystal_class_orig: hexoctahedral


species: Cd Rh


species: Cu Pt


species: Fe Pd


species: Mn Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Pt Tc


species: Cu Rh


species: Hg Ru


species: La Os


species: Rh Tc


species: Ru Tc


species: Hf Ni


species: Pd Zr


species: Pd Ru


species: Ta V


species: Ir Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Au Hf


species: Re W


species: Ca I


species: Cr I


crystal_class_orig: monoclinic-domatic

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Fe I


species: I K

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


species: I Li

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: I Mg

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Be I

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: Cd I

species_pp: Cd I

sg:
Pmna #53
Pmna #53
Pmma #51

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


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: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Sc


species: I Zn


Wyckoff_letters_orig: a a


species: Ga I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Re

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Os Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt V


species: Tc Ti

crystal_class: dihexagonal-dipyramidal


species: Fe Re


species: Pt Zr


species: Hf Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ir Y


species: Pd Ta

crystal_class: hexoctahedral


species: Hf Pd


species: Re Ti


species: Ag Hf


species: Ag Ta


species: Fe Tc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: La Ta

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Re W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Os

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Ru


species: Mo Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Os

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Cu


species: Hf Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf W


species: Ti Zr


species: Hf Nb


species: Nb Zr


species: Ta W


species: Ag Fe


species: Ag W


species: Ba Si


species: Mn Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Os Rh


species: Cr Ru


species: Au Pt

species_pp: Au Pt

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: K O


species: Cu I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: f e


species: Er Sb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: Cl Hf

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: In Sc


species: Ni O

Wyckoff_letters_orig: a a


species: Pb Te

Wyckoff_letters_orig: n m

Wyckoff_letters: c b

Wyckoff_letters: m n


species: Li V


species: La Mo


species: Hg Ti


species: Ni Re

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Ta

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Te Ti


species: F Sr

crystal_class: dihexagonal-pyramidal


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c d

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Ca Fe

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Y

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: a a b b b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b b

Wyckoff_letters: a a b b b b b


species: C O

species_pp: C O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class: orthorhombic-bipyramidal


species: Cd Fe

sg2:
Pmmn #59
Pmmn #59
P4/nmm #129


species: Al Ru

Wyckoff_letters_orig: e e e f g i i

crystal_class: tetrahedral

Wyckoff_letters: e e e f g i i


species: Ag Hf


species: I Nb


species: Au Tb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mn


species: Fe Se

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: a b c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a e f

Wyckoff_letters: a b c d


species: Cu Zn

sg:
Pnnm #58
I4/mmm #139
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Re Zn


species: Cu O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: Ca V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: O Pd

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: F Sr

sg:
Pmna #53
Pmma #51
P4/mmm #123

sg2:
Pmna #53
Pmna #53
Pmma #51

Wyckoff_letters_orig: e h

Wyckoff_letters: a f


species: O Si

species_pp: O Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: b c


species: As Cr


species: Hf Ir

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: La Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf W


species: I Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Co V


species: Ir O

species_pp: Ir O

crystal_class_orig: trigonal-trapezoidal


species: Cu Li


species: Cr Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zn

species_pp: O Zn


species: Fe Li

Wyckoff_letters: b c


species: Ca Mn


species: Cd Pd


species: Cr K


species: Nb O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: V Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co K


species: O Tb


species: Ni O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mn Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


species: Cr Se


species: Li Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Fe

crystal_class: ditetragonal-dipyramidal


species: Rh Sc


species: Cu K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Zn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Tc V


species: O Sn

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a l


species: Ca Cr


species: Ca K


species: Mg S


species: Ag F

species_pp: Ag F


species: Hg O

species_pp: Hg O


species: Ca Co

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Pb

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Ca Ni


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a e

Wyckoff_letters: e e e e


species: Cr Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Zn

sg:
Pnnm #58
Immm #71
Immm #71


species: C Cr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: O Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Os


species: O Tc


species: Au V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr F

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

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: F Mg

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Ni O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O V

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Hf W


species: Nb Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Tc Zr

crystal_class_orig: hexoctahedral


species: Ti Zn


species: Hg Pd


species: Mg Si

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: B N


species: Pt Th

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Bi Ti


species: O Pt

species_pp: O Pt


species: Nb V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j