species: Mn W

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a x3


species: F V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: c f g h

Wyckoff_letters_orig: a d

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: Ag Co

species_pp: Ag Co

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: In Li

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c e f

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b c e f


species: Mn O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

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

Wyckoff_letters_orig: f f f f f f f f

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: rhombohedral

point_group_structure: cyclic

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

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

Wyckoff_letters: f f f f f f f f


species: Li Ti

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

Wyckoff_letters_orig: c g

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

Wyckoff_letters: c g

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Mg Te

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ni Y


species: Se Sn

species_pp: Se Sn


species: Cd F

species_pp: Cd F

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

point_group_structure: dihedral

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: S Sm

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_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

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ca Fe

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

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

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: c d e


species: Mg Pd

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c c


species: F Ti

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-pedial

point_group_structure_orig: trivial

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: MCLC

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

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: a a a a a a a a

Wyckoff_letters: a a a a


sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: Ca N


species: Zn Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

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

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Ti Zn

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a c

reciprocal_lattice_type: RHL

Wyckoff_letters: a c


species: Pb S

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a a


species: Ni Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr F

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Ca Mg


species: Ca K

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ge Se

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: La Pt

species_pp: La Pt

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: F V

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Cd F


species: Nb O


species: Fe O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: F Li


species: O Ta

Wyckoff_letters_orig: a f


species: As Ni

Bravais_lattice_orig: TET

lattice_variation_orig: TET

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a a b b b

Wyckoff_letters_orig: a b b b b b

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a b b b

Wyckoff_letters: a b b b b b


species: I V

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: F Fe


species: O Sn

species_pp: O Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu Li

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Hf O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Mn

Bravais_lattice_relax: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_site_symmetries_orig: m m m

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m

Wyckoff_site_symmetries: m m m


species: I Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Au Li


species: Co Mn


species: Ca Zn

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: O Rh

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Mg S

Wyckoff_letters_orig: a b


species: F V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Fe V


species: O Tb

Wyckoff_letters_orig: c c


species: Cd Ni

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Pt Te

species_pp: Pt Te

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: As Ni


species: Cu Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Mg


species: O Sr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: Ca Cr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta Zn


species: Li Ni

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Ge Y

crystal_class_orig: orthorhombic-bipyramidal


species: O V


species: O Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hf O

Wyckoff_letters: c c


species: Ge Te


species: Ce Pd

crystal_class_orig: hexoctahedral


species: Mg Te


species: Fe O

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


species: Cl Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cd Ru

crystal_class: ditrigonal-scalahedral


species: Bi Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Li

crystal_class: orthorhombic-bipyramidal


species: O Pr

species_pp: O Pr


species: Cr Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mg


species: O Sn


species: Ni Pd

crystal_class: ditetragonal-dipyramidal


species: K Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr K

Wyckoff_letters: a e


crystal_class: hexoctahedral


species: Cu Mo


species: I V

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Fe W


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: Ni Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: N Re

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Bi O


species: I Ti

Wyckoff_letters: f f


species: Er Se

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Nd Te

species_pp: Nd Te


species: Lu O

species_pp: Lu O


species: O V

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ta


species: Mg Pb


species: K Pb


species: O Ta


Wyckoff_letters: f e


species: Mg Nb


species: Co Mo


species: Cr Mo


species: Mo Zn


species: Ni Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ti Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: V Zn


species: Co Mn


species: Co Ni

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Co W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Cu


species: Cu Mo

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


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ni

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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


species: Mo V

crystal_class_orig: ditrigonal-scalahedral


species: Mo W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: a d

aflow_prototype_params_list_relax: a c/a x3


species: F Nb

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Hg Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Rb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Hg Te

species_pp: Hg Te


Wyckoff_letters: a c


species: Li Nb


species: Li Ta

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Ta


Wyckoff_letters_orig: a c


species: Nb Pb


species: Nb Rb


species: Cl Pb

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: O Pb

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: F Pb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Co Er


species: Gd Ti


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Dy Mn


species: Cr V

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Fe Nd


species: Fe W

Wyckoff_letters: a d


species: Co Eu

species_pp: Co Eu

Egap_DOS_type: metal


species: Cu Sm


species: Gd Pr

species_pp: Gd Pr


species: Ho Nd


species: Mn Pm


species: Sm V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag I

species_pp: Ag I

Egap_DOS_type: insulator

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Pb


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Au Co

species_pp: Au Co

Wyckoff_letters: c d e


species: Cd Zr

Wyckoff_letters_orig: a d


species: Co Hg

species_pp: Co Hg


species: Cr Pd


species: Hf Zr


species: Ta Ti


species: Ag Ir

species_pp: Ag Ir


species: Hg Ru

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Os Ru

Wyckoff_letters: a c


species: Cr Zr


species: Cu Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Nb


species: Ru W


species: Ag Y


species: Cu Zr


species: Mo Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Tc


species: Ni Tc


species: Re Ta

Wyckoff_letters_orig: a c


species: Pd Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sc V


species: Cd Co

species_pp: Cd Co


species: Mg O


species: Mn Re

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Ca I


sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Fe I


species: I Li


species: I Ni


species: I Zr

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Ag I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: I In

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Hg I

species_pp: Hg I


sg:
Pmna #53
Pmna #53
Pmma #51

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: I Pb

crystal_class_orig: monoclinic-prismatic


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mn Pr


species: Tc Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Zn

species_pp: I Zn

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: Au Co

Wyckoff_letters_orig: c c


species: Os Pd

Wyckoff_letters: a d


species: Re Rh


species: Ag Au

species_pp: Ag Au


species: Cd La

species_pp: Cd La


species: Au Cd

species_pp: Au Cd


species: Mn Rh


species: Pt Tc

crystal_class: monoclinic-prismatic


species: Ag Hf


species: Yb Zn

species_pp: Yb Zn


species: Hf W

Wyckoff_letters_orig: c d e


species: Hg Sr


species: Pd W

Wyckoff_letters: c c


Wyckoff_letters_orig: c c c


species: Nb V

crystal_class_orig: diploidal


species: Nb Zr


species: Ta Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hf Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ta Ti


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Tc


species: La Pd


species: Re Ru


species: Ru Y


species: La Os


species: Cd Ir

species_pp: Cd Ir


species: Os Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Y


species: Se Sr

Wyckoff_letters_orig: b b b a a a c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b a a a c c


species: F Fe

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Nb Y


species: O W


species: Cu K

Wyckoff_letters_orig: a d


species: Bi I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Zr

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: e e f

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m 1


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pb Se

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h


species: Cr Mn


species: Y Zn


species: Ca Li


species: O V

crystal_class_orig: trigonal-pyramidal


species: F V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Co Hf

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K O

Wyckoff_letters_orig: f f

Wyckoff_letters: c a


species: O Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Re Ti


species: Mg O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Mn O

Wyckoff_letters_orig: e i j

Wyckoff_letters: e i j


species: O Tc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: Ca K

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu F

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Hg Mn


species: Li Si

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O

species_pp: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Li Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Li Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: hexoctahedral


species: F Ni

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: F Mg


species: Ge Y


species: Ca Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: O Sr

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Ti Zn


species: Li Mn


species: Bi O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Fe Zn


crystal_class: diploidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr K


species: Nb 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: Co K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Ru


species: F Mn


species: Au Tc


species: Tc W


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: b c c c h h

Wyckoff_letters: a c c

Wyckoff_letters: b c c c h h


species: Hf Ti


species: Mn O


species: K O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: W Zr


species: Sc Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: F Fe

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: Hf Pd

Wyckoff_letters_orig: c g h

Wyckoff_letters: c g h


species: Ca Cu


species: Cu F

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ca O


species: C Y


species: Pb Te


species: O Sn


species: Hf O

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: C Fe

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Bi Ti


species: K Li


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: Fe Mg


species: K Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu K

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Co F

species_pp: Co F

crystal_class: orthorhombic-bipyramidal


species: O Zr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: F Mn

Wyckoff_letters: d c


species: I Nb

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: hexoctahedral


species: O Zn

species_pp: O Zn


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: C Gd

species_pp: C Gd

crystal_class_orig: tetrahedral


species: O W

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: B Li


species: Ca Cr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Tc


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: F Ti


species: O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Ir Si

species_pp: Ir Si

Wyckoff_letters_orig: b h


species: O V

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Fe O


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

crystal_class: ditetragonal-dipyramidal


species: Ca Li

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: S Sn

species_pp: S Sn


species: Ca O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Al Cu

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: e e e f g i

crystal_class: tetrahedral

Wyckoff_letters: e i

Wyckoff_letters: e e e f g i


species: Hf Ir

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ru


species: Hf Ni

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: monoclinic-domatic


species: Li Mn


species: Bi Ti

crystal_class_orig: diploidal


species: Au Mg

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Mn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Li Mg


species: Ca Ti

Wyckoff_letters_orig: a c


species: Ir Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Nb

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b f i


species: Cr F

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a


species: F Li

Wyckoff_letters_orig: e e

Wyckoff_letters: d c

Wyckoff_letters: c d


species: Bi O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Si V


species: Br Pt

species_pp: Br Pt

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f

Wyckoff_letters: f f


species: Ag Sc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O

sg:
Pbcm #57
Cmcm #63
Cmcm #63

sg2:
Pbcm #57
Cmcm #63
Cmcm #63


species: F Kr

species_pp: F Kr


species: Ir Sn

species_pp: Ir Sn


species: As Mo

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Au Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sm Te


species: K O

crystal_class_orig: dihexagonal-pyramidal


species: O Zn


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Tb


species: F Sc

Wyckoff_letters_orig: a d


species: Cs Pb


species: Pb Rb


species: O Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters: a c


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Wyckoff_letters: i i i i

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


species: Cu Fe


species: Ni Zn

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co V


species: Cr Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mn W

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mo Ni

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c


species: Ti W


species: Ti Zn


species: V W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Co Cu


species: Co Mo


species: Cr V

Wyckoff_letters_orig: a f


species: Cr W


species: Cu Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Ni


species: Fe V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ti V


species: Cl Cs


species: F Nb


species: O Pb


species: Hg S

species_pp: Hg S


species: Cs Li


species: Mg Rb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pb Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hg Li

Wyckoff_letters: a c


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cl Pb

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Li Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Eu O

species_pp: Eu O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Fe Pm


species: Nd V


species: Ce Zn

species_pp: Ce Zn


species: Gd Ti


species: Tb Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cl Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Rb


species: Co Pr

species_pp: Co Pr


species: Cr Tb


species: Er Mn


species: Eu Mn

Wyckoff_letters: a d


species: Fe Ho


species: Ho Ti


species: Pr Ti


species: Pr Zn

species_pp: Pr Zn


species: Al I

species_pp: Al I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: Cd I

species_pp: Cd I


species: Cs I


species: I Rb


species: I Zr

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

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: i i i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ag Cr


species: Ag Ti


species: Cu Yb

Wyckoff_letters_orig: a c


species: Mo Zr


species: Nb W

crystal_class_orig: tetrahedral


species: Ni Ta


species: O Sc

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cu Ir


species: La Os

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Ta


species: Au Pt

species_pp: Au Pt


species: Sm Zn


species: Mo Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Rh Ta


species: Re Tc


species: Co Zr


species: Dy Ti


species: Fe Pr


species: Mn Y


species: Re Zr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Sc Zr

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca I

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Li


species: I Mg

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


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: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ni


species: I Si

species_pp: I Si

Wyckoff_letters: e e


species: I Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: In O


species: Cu I


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn


species: I Sr

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cs I


species: Ag Re

Wyckoff_letters: a e


species: Hf Ti


species: Cu Re

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Yb


species: Y Zn


species: Hf Pt

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Pt


species: Ni Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir Ti


species: N Re

sg:
Pbcm #57
Pbcm #57
Pbcm #57


species: Ir Zr


species: Ag Yb

species_pp: Ag Yb

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Hf V


species: Ta Zr


species: Hf Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf Nb


species: Hf W


species: Nb V


species: Nb Zr


species: Pt Re

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Au Ir

species_pp: Au Ir


species: Co Pr


species: Ba Sb


species: I Tc


species: Ni Zr


species: Mo O


species: F Ni

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: O Re

Wyckoff_letters_orig: e e


species: Ni W


species: Fe I


species: Li V


species: Ca Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Rh Zr


species: Ca Ti


species: Gd Te

species_pp: Gd Te


species: Ir O

species_pp: Ir O

crystal_class: dihexagonal-pyramidal


species: I K


species: Cr F


species: Cd Sc


species: Fe Sc


species: O Rh

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: B Ru

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: I Tc

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

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: O Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Y

Wyckoff_letters_orig: b g


species: Nb Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: K O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Mn O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Te

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Li Zn


species: F Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Os

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ca V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Mg


species: K Mg


species: Mn Os


species: Hf Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd O

species_pp: Cd O


species: Bi O


species: F Fe

crystal_class_orig: diploidal

crystal_class: diploidal


species: S Sn

species_pp: S Sn

crystal_class_orig: trigonal-trapezoidal


species: Cr F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ni O


species: Cu Mg


species: Ca K


species: Mn W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Cr


species: O W

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ag W


species: Ca Zn


species: O Pb

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: O Ti


species: Bi In

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Fe I

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


species: I Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c


species: Cd Pd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf N


species: Cl Re

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

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


species: Ir O


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Tc

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Rh Tc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Bi Cs


species: I Mn

crystal_class_orig: dihexagonal-pyramidal


species: F Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: I Mg

crystal_class: ditrigonal-scalahedral


species: S Th

crystal_class_orig: orthorhombic-bipyramidal


species: F V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i a

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x3 y3 z3


species: Bi O

crystal_class_orig: monoclinic-sphenoidal


species: K Sb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn O


species: O Sn

species_pp: O Sn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Mg O

crystal_class_orig: ditetragonal-dipyramidal


species: Nb O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Os Ta

crystal_class_orig: dihexagonal-dipyramidal


species: Cr V

crystal_class_orig: ditrigonal-dipyramidal


species: I Ti

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: I Tc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Cd Re


species: Li V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pt Ru


species: Te Zr

Wyckoff_letters_orig: a d g h

Wyckoff_letters: i i i

Wyckoff_letters: a d g h


species: La Tc


species: O Rh


species: O W

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ca V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ni O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: F K


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Li O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Mn Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb S


species: Mg Se

crystal_class_orig: diploidal


species: Ca Ti

crystal_class: ditetragonal-dipyramidal


species: Pb Te

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i


species: Li P

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Ca F


species: I V


species: Fe O


species: Fe Zr


species: Ge La


species: I Nb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cu Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Cr


species: Ge O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: I Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: I Mn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Co Zr

crystal_class: dihexagonal-dipyramidal


species: Fe N

Wyckoff_letters_orig: a b g q

Wyckoff_site_symmetries_orig: mmm mmm 2mm ..m

Wyckoff_letters: a b g q

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Co K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
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

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Ca Cr


species: O Pb

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: Co Li


species: C V


species: I K


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: W Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cd Mo

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca Co

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: O Si

species_pp: O Si

Wyckoff_letters_orig: d d e

Wyckoff_letters: d d e


species: O Sc

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Ca Ti


species: Ca Tc


species: O Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: F Ni


species: Li Ti

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


species: Ta Tc


species: Bi O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe Ti

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Se


species: F Mg

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Li Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: C Ru


species: I Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Fe Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Mn


species: H Ru


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Pb


species: O Rb


species: O Ta

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Li Pb

crystal_class: tetrahedral


species: Mo V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Cu

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Fe


species: Co Mo


species: Cr Mo


species: Cr W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Zn


species: Fe Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mn Mo

Wyckoff_letters: a d


species: Mn Ti


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ni W


species: Ni Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Cu


crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe V


species: Fe W

crystal_class_orig: orthorhombic-bipyramidal

aflow_prototype_params_list_orig: a b/a c/a x2


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


species: Mo Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ti V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ti Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: V W

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cl Mg

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Li

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hg Mg


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Hg In


species: Hg Ni


species: Hg S

species_pp: Hg S


species: K Nb


species: K Rb


species: Li Rb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mg Ta

Wyckoff_letters_orig: a d


species: Rb Ta


species: F Li


species: F Pb

Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


species: O Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: O Pm

species_pp: O Pm


species: Ce Cu

Wyckoff_letters: a d


species: Ce Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni Yb


species: Cr Mn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ca Cl


species: Cu Er


species: Cu Ho


species: Dy Fe


species: Cr I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

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


species: Hg I

species_pp: Hg I


species: I 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: Co I

species_pp: Co I


species: Ge I


species: Cr Sc


species: I O

species_pp: I O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Pd Rh

crystal_class_orig: dihexagonal-dipyramidal


species: Ru W

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Sm Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Ta Tc


species: Ta V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Nb


species: Pd Ru

crystal_class_orig: hexoctahedral


species: Cd Ru


species: Co Pd


species: Hf Ta


species: Nb Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cd Zr


species: Rh Ta

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mo Sc

crystal_class_orig: ditrigonal-scalahedral


species: Pt Zr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Co Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe I

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I K

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: I Mg

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: I In

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: I Sb

species_pp: I Sb

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: I Pb

crystal_class_orig: tetrahedral


species: Ag Ta


species: Cd Nb


species: Hg Tc


species: I Zn

species_pp: I Zn

sg:
Pbca #61
Pbca #61
Pbca #61


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: Ga I

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Hg Zn

species_pp: Hg Zn


species: V Y

crystal_class: hexoctahedral


species: Hg Mo

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Mn Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd La

species_pp: Cd La


species: Hf V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Zr


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hf Nb

crystal_class: ditetragonal-dipyramidal


species: Nb Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Ta V


crystal_class: dihexagonal-dipyramidal


species: Ta W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ta Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Re V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: S Sr


species: Gd Ni


species: Au Nb


species: Mn O


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: b c


species: Ba O

crystal_class_orig: monoclinic-prismatic


species: Pd Re


species: Pt V


species: Co K

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ag Y


species: O Sn

Wyckoff_letters_orig: a b


species: P Zn

species_pp: P Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e


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

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


species: Fe Tc

Wyckoff_letters: a b


species: F Sr


species: Hf La

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Nb Ni

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Li


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cr Ir


species: Pd Tc


species: Mg O

crystal_class: tetrahedral


species: Co O

species_pp: Co O


species: Li O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: O Zn

species_pp: O Zn

Wyckoff_letters: a a


species: Ca Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Ti


species: Fe Os


species: Sc W


species: Cu O

crystal_class_orig: dihexagonal-pyramidal


species: O Ti


species: Au Ca

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Tc

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: Cd O

species_pp: Cd O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Li Mn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: F Ti

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: Cr O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


species: Bi Th

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Br K

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: F Ni

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Co F

species_pp: Co F


species: Cr Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hg Nb


species: Mo O


species: Fe I


species: O Sc

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: O Zn


species: Nb Sc


species: F Hf


species: Ru V


species: Mn O

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: Mg O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e


species: As F

species_pp: As F

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I Mg


species: Ca Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co K

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Li O


species: Ca Sn


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Ca Mn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf W


species: O Ti

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Cr Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Pd Ti


species: Ce Ge

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F V

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Ni Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d


species: Bi Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Zn


species: I V


species: O Os


species: W Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Zn

species_pp: La Zn


species: Co Ti


species: Co Ta


species: Pb Te

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Ni Os


species: Au Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: d c


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Li Mn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cd O


species: Cd Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ir Re


species: Cd Nb

crystal_class: ditrigonal-dipyramidal


species: Ir Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters: a e


species: W Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Cu


species: Ni O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: Mg S

crystal_class: dihexagonal-pyramidal


species: Ir O

species_pp: Ir O

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cu Ru


species: O W


species: Sc W

crystal_class: orthorhombic-bipyramidal


species: Mn O


species: K O

Wyckoff_letters: a d


species: O V


species: Hf Pd

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: K S


species: O Y

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: d a


species: Cu F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: K Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d


species: Cu Sb

Wyckoff_letters_orig: a e


species: Ru W


species: F Hg

species_pp: F Hg

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: F Nb

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ca V

Wyckoff_letters: a b


species: Bi Cs


species: Fe O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: Ir Y


species: K Li

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mg Se

Wyckoff_letters_orig: a f h


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cl Ta

crystal_class: ditrigonal-scalahedral


species: Li Ti

crystal_class: ditetragonal-dipyramidal


species: Cr F


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Zn

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: K Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: I Ni


species: Mn Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O W

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: Cd O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


crystal_class: hexoctahedral


species: Cu K


species: Cd Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg S


species: I Mn

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a a a a a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a d e

Wyckoff_letters: e e e


species: Li Tc

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Pd Pt

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn O

Wyckoff_letters_orig: a a


species: Pd Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Ni


species: Mn Zn


species: I O

species_pp: I O

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Ca Li

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

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


species: O Tc

Wyckoff_letters_orig: b g


species: Co O


species: Mg Te

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Os Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: S Zn

species_pp: S Zn

Wyckoff_letters: e e


species: Ca Fe


species: Li Ni

sg:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters: b a


species: K O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: S Sn

species_pp: S Sn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Fe Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe O


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: P S

species_pp: P S


species: Ho Si

Wyckoff_letters_orig: d e e

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

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: d e e

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


species: Li Pb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mg Nb


species: Ca Pb


species: Cu Mn


species: V Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Cu


species: Cr Fe


species: Cr Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr V


species: Cu Mo


Wyckoff_letters: c d e


species: Mn Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn W


species: Mn Zn


species: Mo Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: diploidal

crystal_class: diploidal


species: Ni V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr W

sg:
Pnma #62
Pnma #62
Pbam #55

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu W


species: Cu Zn


species: Fe Mn


species: Fe Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Ti


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo W


species: Ni Ti


species: Ni Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti V


species: Ti Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Pb


species: Hg Li

crystal_class_orig: ditrigonal-dipyramidal


species: Hg S

species_pp: Hg S


species: Hg Yb

species_pp: Hg Yb


species: O Pb


species: K Rb


species: K Ta

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Li Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: Li Ta


species: Mg Rb


species: Cl K


species: O Sm

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: Dy Ti


species: Er Ni


species: Co Dy


species: Ho Ni

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Pr Tb


sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

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

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

crystal_class: monoclinic-domatic

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

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


species: F Nb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: Ho Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Sm


species: Er Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn Yb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

species_pp: Cd I


species: I In


species: I Ni


species: I Si

species_pp: I Si

Wyckoff_letters: c d


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Zr


species: Au Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Ru


species: W Y


species: Ag Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Hg Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal


species: Ir Ru


species: La V


species: Pd Zr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Rh


species: Cd Nb

crystal_class_orig: ditrigonal-scalahedral


species: Cu Rh


species: Mo Nb

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ta Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Ta


species: F Sb

species_pp: F Sb

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

Wyckoff_letters_orig: e e e e

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

Wyckoff_letters: e e e e


species: Ir Rh


species: Ni Y

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Os Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al O

species_pp: Al O


species: Ni Pt


species: Nb Rh


species: Ag Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Ru


species: Hf Re


species: Ru Ti


species: I K

sg:
Pbam #55
Cmmm #65
Cmmm #65

sg2:
Pbam #55
Pbam #55
Cmmm #65

Wyckoff_letters_orig: h g

Wyckoff_letters: h e

Wyckoff_letters: a j


species: I Li


species: I Mg

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Ni

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Be I


species: Pt Zn

species_pp: Pt Zn


species: Re V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu I

Wyckoff_letters_orig: a b


species: I Zn

species_pp: I Zn


species: Ag Ni


species: Ag Rh


species: Co La

species_pp: Co La

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Os Tc


species: Mn Ru

crystal_class_orig: dihexagonal-pyramidal


species: Ta V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Hg

species_pp: Co Hg


species: Ir Ta


species: Mn Ta


species: Pt Ta


species: Au W


species: W Y


species: Co Pr

species_pp: Co Pr


species: Cr Ta


species: Fe Pd


species: Os Y


species: Pt Ti


species: Ir W


species: Ni Tc


species: Tc V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hf Zr


species: Nb Zr


species: Mo Nb


species: Nb W


species: Ti Zr


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: La Ti


species: Ru V


species: Ir Ru


species: Nb Tc


species: Ni O

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: Au Os


species: Cd Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Os


species: Co Sc


species: Hg Pd

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cr Rh


species: Co Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt V


species: Cu Hf


species: F Sr


species: Cd F

species_pp: Cd F


species: Cu O


species: Cr Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Se Zn

species_pp: Se Zn


species: Nb O

sg:
Pnma #62
Pbcm #57
Pbcm #57

sg2:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a d d


species: O Pd

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e


species: Fe Re

Wyckoff_letters_orig: c c


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: In Se

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: Y Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


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

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


species: Pr S

species_pp: Pr S


species: Ge Yb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: I Tc


species: Os Zn


species: Au Pt

species_pp: Au Pt


species: C Ir

species_pp: C Ir


species: Li Tc

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ge S

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: Ge Se

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pr Zn

species_pp: Pr Zn


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Pb Te

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Hf Nb


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Hf

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: N Zn

species_pp: N Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Cd Ce

species_pp: Cd Ce


species: Co Mg


species: Pd Re


species: O V


species: Mn Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Zn

species_pp: O Zn

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

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g


species: Dy P


species: F Mg


species: I Ta


species: O Pt

species_pp: O Pt


species: F Rb


species: Nb O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: Cd O

species_pp: Cd O

crystal_class_orig: trigonal-trapezoidal


species: Hf O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Ag Ni

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


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Li O


species: F Xe

species_pp: F Xe


species: Mg O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mg

crystal_class_orig: tetrahedral


species: La W


species: Ni Zr


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: F Li

crystal_class_orig: orthorhombic-pyramidal


species: Co Th


species: N P

species_pp: N P

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a

Wyckoff_letters: a a a


species: Fe Sc


species: Hg Ni


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

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


species: I Nb

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Bi O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Mn


species: F Ni

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Li Mg


species: F V


Wyckoff_letters_orig: b f


species: Fe I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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

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


species: Co K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: C W

sg:
Pnma #62
Imma #74
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ru


species: Ca V


species: O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe Nb


Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Ca I


species: O Os


species: O Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: a c


species: Cr K

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Pb Th


species: Cl P

species_pp: Cl P

sg:
Pnma #62
Pnma #62
Pnma #62


species: Cd F

species_pp: Cd F

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: F Mn


species: Mn Tc


species: Au Sc

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: Ca Cu

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Ga Zr

Wyckoff_letters_orig: c f g

Wyckoff_letters: c f g


species: Ru Ti


species: I Mg

crystal_class: ditrigonal-scalahedral


species: Cu K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ge O


species: Pb Te


species: I Ti


species: Li Ti

crystal_class: ditetragonal-dipyramidal


species: Ni O


species: Cr Li

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: O Sr

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: I Mn

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Os Ti


species: O W

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Ca Mg

crystal_class: dihexagonal-dipyramidal


species: Mo Os

Wyckoff_letters: a b


Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


crystal_class: hexoctahedral


species: Hf N


species: Bi Cr


species: Ca Mn


species: Bi Ti


species: Mo O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: i i i


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr O


species: F Nd

species_pp: F Nd

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: O Ti

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cr Zn


species: Mo Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Mg

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Au Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: O Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Fe Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Re Ta

crystal_class: tetrahedral


species: Sc Zn


species: Ge O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: d c


species: O W

sg:
Ama2 #40
Cmcm #63
Cmcm #63

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters: a g


species: Ni O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Bi Ti


species: I Mn


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: As B

Wyckoff_letters_orig: i i

Wyckoff_letters: e i


species: F Ni

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Cr V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: c d


species: Ce Ga

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: a h

Wyckoff_letters: b k

Wyckoff_letters: a h


species: F V

Wyckoff_letters_orig: a a


species: Mo Ni


species: Mo Zn


species: Co W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Zn

species_pp: Co Zn


species: Cr Mn

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Fe Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ti V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: V Zn


species: Co Cr


species: Co Ti


species: Cu Fe


species: Fe W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mn Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo V

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: Ni Zn

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ti W


species: Ca Cl


species: F Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Hg Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Rb


species: Hg Ho


sg2:
Pnma #62
Cmmm #65
P4/mmm #123


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters: c d e


species: Li Rb


species: Mg Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Ta


species: Cl Nb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O Pb

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Cl Mg

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ho Ti


species: Eu O

species_pp: Eu O

crystal_class_orig: dihexagonal-pyramidal


species: Eu Ti


species: Gd Zn

species_pp: Gd Zn


species: Pr Ti


species: Sm Ti


species: Dy Pm


species: Cr Pm


species: Ce Cu

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Dy


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ba I

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I In

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: I Zr

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

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


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Ti


species: Hf Ir


species: Ni Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Sc W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Tc Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: V Y


species: Dy Pr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Hf


species: Cr Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ti

crystal_class_orig: diploidal

crystal_class: diploidal


species: La Mo

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a f


species: Re Ti


species: Os Ta

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Zr


species: Hf Re

crystal_class: tetragonal-dipyramidal


species: Hg La

species_pp: Hg La


species: Sc Zn


species: La Mn


species: Co I

species_pp: Co I


species: Cr I


species: Fe I

crystal_class_orig: trigonal-trapezoidal


species: I Mg


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Ni


species: I Zr

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a d i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ba I

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

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

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


species: Hg I

species_pp: Hg I


species: I Pb

crystal_class: ditetragonal-dipyramidal


species: Ag Re

crystal_class: ditrigonal-scalahedral


species: Hf Ta

crystal_class: dihexagonal-dipyramidal


species: Ir Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I Zn

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ga I

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f


species: I Sr

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: Fe Yb

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Nb

crystal_class: hexoctahedral


species: Cr Hf


species: Ru Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Sc


species: Ir W

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: Mn Nb


species: Tc Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hf Zr


species: Mn Pt

Wyckoff_letters_orig: a l


species: Os W


species: Hf Ir

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ti

crystal_class_orig: tetragonal-dipyramidal


species: Hg Mo

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ta Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: W Zr


species: Nb V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb W


species: Nb Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Cr


species: Sc Zr


species: Tc W

Wyckoff_letters: a d


species: Au Ta


species: Cr Sc


species: Fe Y


species: Pd Ti


species: Co Li


species: Cd Cs


species: Tc V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co F

species_pp: Co F


species: Nb Re


species: F Sr

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: O W


species: Gd In


species: Pd Ta


species: I V

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Li N

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Pd


species: O Zn

species_pp: O Zn


species: Cl Mo

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

Wyckoff_letters_orig: e e

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

Wyckoff_letters: e e


species: Ca Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pd Zn


species: Sc Zr


species: Hf Y


species: Ca Cu


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Se Sn

species_pp: Se Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Cu K


species: Pd Y


species: I Tc


species: F Ho

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


species: O Tc


species: Fe O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr O

crystal_class_orig: orthorhombic-pyramidal


species: F Mn


species: O Pd


species: Re Ru


species: H Nb

Wyckoff_letters_orig: b e i

Wyckoff_letters: b e i


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: O V


species: Mg Si

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


species: Ca O


species: Li Ni

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal


species: O Sc

crystal_class_orig: ditrigonal-scalahedral


species: W Zn

crystal_class: ditrigonal-dipyramidal


species: Sc Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb V

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Co

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Cr K

crystal_class_orig: dihexagonal-dipyramidal


species: As Yb

species_pp: As Yb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: tetrahedral


species: Ni Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: e e


species: Ca Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Sn

Wyckoff_letters_orig: e k k k

Wyckoff_letters_orig: d h

Wyckoff_letters: e k k k

Wyckoff_letters: d h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Rh


species: Cd O

species_pp: Cd O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_site_symmetries: m m m m m m m m m


species: Ta Zr


species: Cr F

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Rh

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: orthorhombic-bipyramidal


species: Au Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Cl Cr

crystal_class_orig: rhombohedral


species: Fe Sc

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


species: O W

crystal_class: orthorhombic-pyramidal


species: O Pd

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: C Ru


species: Li Zn


species: O Si

crystal_class_orig: monoclinic-prismatic

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

Wyckoff_letters_orig: e e e e e e e e

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

Wyckoff_letters: e e e e e e e e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Zn

species_pp: F Zn


species: Cd Fe


species: Ca Fe


species: Ca Cr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Sr


species: Li O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: H Mn


species: I Tc

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

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: Ca Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Os

Wyckoff_letters_orig: a d d


species: Cu F


species: Bi Ti

Wyckoff_letters: c d e


species: O Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Pb S

sg2:
Ibam #72
Ibam #72
I4/mmm #139

Wyckoff_letters_orig: j j


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Ti


species: Mn O


species: Ca Mn


species: Al Zr


species: Co Cr

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ge La


species: Hf Te

Wyckoff_letters_orig: e e e


species: Cd Cu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O Zn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: a a a a a a


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c i i j j

Wyckoff_letters: c i i j j


species: Ca O


species: O Os

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ga Pd

sg:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pb


species: Ti W

Wyckoff_letters_orig: c d


species: Cr O

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e e

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: I V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Cu I


species: Ge S

Wyckoff_letters_orig: a b d

aflow_prototype_params_list_relax: a c/a


species: Ca Cl

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mn Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cu Pd

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Tc

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Ca Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x3


species: Ag W

Wyckoff_letters_orig: a d


species: Ba F


species: F Mg


species: I Nb

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: O V

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Mn O


species: Cu K

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Li Ni


species: O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Sn

species_pp: F Sn


Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: I Ta

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_relax: a c/a y2


species: O Ta

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


aflow_prototype_params_list_relax: a c/a z2


species: Cr Cu

aflow_prototype_params_list_orig: a c/a


species: Cu W

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_relax: a c/a x2


Wyckoff_letters_orig: c c c


species: Cu Mn


Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


crystal_class_orig: orthorhombic-bipyramidal


species: Cu Mo


species: Cu Zn

crystal_class_orig: hexoctahedral


species: Mn V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Zn


species: Mo Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Zn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2


species: Co Ni


species: Co V


species: Cr Mo


species: Cr Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Cr W

crystal_class: hexoctahedral


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cu Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ti Zn


species: Hg K


species: Hg Ho


species: Hg Li


species: Hg Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg Rb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg S

species_pp: Hg S


species: O Pb

sg:
Pbcm #57
Pbcm #57
Pmma #51

sg2:
Pnma #62
Pbcm #57
Pmma #51

Wyckoff_letters_orig: c c

aflow_prototype_params_list_relax: a b/a c/a z2


species: Ca Rb

Wyckoff_letters: c c


species: Ca Ta


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Pb

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Cl Ta

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Gd Zn

species_pp: Gd Zn


species: Cu Er

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Sm


species: Cr Tb


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Fe Gd


species: Ce Pr

species_pp: Ce Pr


species: Cu Tb

crystal_class_orig: ditrigonal-dipyramidal


species: Dy Ho


species: Pm V


species: Be I


species: Cd I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I In


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: f f e e f f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f e e f f f f f

Wyckoff_letters: f f f f


species: Cd Sc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Rh


species: Mn Sc


species: Mo Os


species: Mo Ta


species: Re Ta


species: Ag Nb


species: Pd Sc

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_relax: a b/a c/a x3


species: Hf Pd


species: Ir W


species: Ir Mn


species: Ir Pt

species_pp: Ir Pt


species: La Mn


species: Ag Hf


species: Au Pd


species: Cr Sc


species: Cu Pt


species: Hf Sc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: Cr Pd


species: Os Ru


species: Mn Pd


species: Ca I


species: Cr I

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


Wyckoff_letters_orig: d e


species: Fe I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: I K


species: I Mg


Wyckoff_letters_orig: e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Ag I

species_pp: Ag I

Wyckoff_letters: e e


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


crystal_class: diploidal


species: La Zn

species_pp: La Zn


species: Ni Re


species: Ni Ru

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: W Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g