species: Nb Ta

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Nb W

Egap_DOS_type: metal

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

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: d e

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Cd V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a c


species: Cu Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os V

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

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


species: Mo Pt

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: c g

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: c g

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Pt Tc

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: Ag Y

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cr Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ag Rh


species: Co Ho

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: O Tc

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC


species: O Si

species_pp: O Si

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c d e f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c d e f


species: O Sr

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Ca Cr


species: Cd Y

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_relax: ORC

lattice_variation_relax: 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: Ir Ti


species: Li Zn

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Er Ni

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f h k

Wyckoff_letters: f f

Wyckoff_letters: a e f h k


species: Ge S

sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI


species: Hf Ir


species: Au Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: As Ba

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

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

Wyckoff_letters_orig: e e e e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e e


species: Pb Pd

Bravais_lattice_orig: MCLC

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: e f f f f f f

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: e f f f f

Wyckoff_letters: e f f f f f f


species: Cr O

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a b c

crystal_class: dihexagonal-pyramidal

point_group_type: polar

Wyckoff_letters: a b c


Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: Au Fe

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pt 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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Bi Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Mo


species: O Rb

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cd O

species_pp: Cd O

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: Cr Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Nb Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Cu


species: I Tc

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: j j


species: Cr F

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: F Os

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

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

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


species: Mg O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ca Zn


species: Mo O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Mn O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


species: O Y

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: N Ti

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: O Pb

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


Bravais_lattice_orig: ORCF

aflow_prototype_params_list_orig: a b/a c/a


species: O Ti


species: Tc Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Er Sn


species: Ca Tc

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral


species: Cd O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: C Fe

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

Wyckoff_letters_orig: e g m

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: e g m


species: Hg Os

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Cu

aflow_prototype_params_list_orig: a b/a c/a x2


species: Fe Mg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g


species: O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

point_group_structure: cyclic

Wyckoff_letters: a b c


Wyckoff_letters_orig: a d


species: Ba In

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: C N

species_pp: C N

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Pt Si

species_pp: Pt Si


species: F Pd


species: Ru V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Nb Pd


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m m


species: Nb O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal

aflow_prototype_params_list_relax: a b/a c/a


species: Ni O

Bravais_lattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: I Tc

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: O Sn

species_pp: O Sn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: H V

Wyckoff_letters_orig: b e i

Wyckoff_letters: b e i


species: O V


species: O Si

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Pt Ta

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: O Ru

crystal_class: trigonal-trapezoidal


species: Sn Zr


species: Rh Zr


species: Sc Tc


species: Ga Sb


species: F Ni

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Mn O

Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


species: Mn W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ni W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Cu

Wyckoff_letters: e e


species: I Nb

Wyckoff_letters: a e


species: O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Bi Ti

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Cd O

sg:
Pnma #62
Cmce #64
Cmce #64


species: Cu F


species: I V


species: Bi O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cl Ni


species: Nb W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b


species: Mo O


species: Ge Se


species: O Pr

species_pp: O Pr

crystal_class_orig: ditetragonal-dipyramidal


species: Ge O


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b f n n

Wyckoff_site_symmetries_orig: mmm 2mm ..m ..m

Wyckoff_letters: a g

Wyckoff_letters: b f n n

Wyckoff_site_symmetries: mmm 2mm ..m ..m


species: Rh Sc


species: Hf Ru


species: Nb Ni

crystal_class_orig: hexoctahedral


species: Li O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: O Zr


species: Ca Mg


species: Ca Li


species: Fe N

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pt Ta


species: I Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Mg


species: Cr Nb


species: Mn Ni


species: O Sc

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

point_group_structure_orig: symmetric

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_structure: symmetric


species: Ca Cu


species: La Ni


species: O Sn

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f


species: O W

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Co Zn

species_pp: Co Zn


species: Co Mo


species: Nb O


species: O Ru


species: F Fe

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Li V


crystal_class_orig: ditrigonal-scalahedral


species: Ir O

species_pp: Ir O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a e i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: d b i


species: Au Gd

species_pp: Au Gd

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Cd Y


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Ti


crystal_class_orig: dihexagonal-dipyramidal


species: I Ni


species: Ho Si


species: Ba O

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: Nb Ti


species: Cr Cu

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mn Sc

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

crystal_class: ditetragonal-dipyramidal


species: Li P

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a a


species: Cr La

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: I Tc


species: Cr Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Nb

crystal_class: hexoctahedral


species: O Pb

Wyckoff_letters_orig: e e


species: Eu O

species_pp: Eu O

sg:
Pccn #56
Pccn #56
Ibam #72

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e


species: Ni Re

crystal_class: dihexagonal-dipyramidal


species: Cu I

crystal_class_orig: tetrahedral


species: Ru V


species: Cs Pb


species: O Rb


species: Mg Nb


species: Mg Pb

Wyckoff_letters: c c


species: Cu V


species: Fe Ni

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Co Cr

crystal_class: ditrigonal-scalahedral


species: Co Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Mo


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Zn

Wyckoff_letters: e e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Mo


species: Mn Ti


species: Ni V


species: Ti V


species: V W


species: W Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Mn

Wyckoff_letters: c d e


species: Cr Mn


species: Cr Zn


species: Cu Ni


species: Mn Ni


species: Ni Zn


species: Cl Mg


species: Cl Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Hg Te

species_pp: Hg Te


species: Hg S

species_pp: Hg S


species: Ca Rb


species: Cs Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Ta

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Nb Rb


species: O Sm

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ho Sm


species: Ce Zn


species: Cl K

Wyckoff_letters_orig: c c


species: F Nb

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e


species: Mn Sm


species: Ce Fe


species: Ce Mn


species: Cu Ho


species: Cu Pm


species: Ho Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nd Ti


species: Pm Tb


species: Pr Yb

species_pp: Pr Yb


species: Ag I

species_pp: Ag I

Egap_DOS_type: insulator

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


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: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ag Co

species_pp: Ag Co


species: Co Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Ru


species: Ta W


species: Co Pd


species: Ce Er

Wyckoff_letters_orig: e e


species: Hg Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Rh


species: Os Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Er

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ir Pd


species: Co Gd

species_pp: Co Gd


species: Ir Os


species: O Tl


species: Cd Cs


species: O Rb


species: Pd Pt


species: Pd Zn


species: Ni Ta


species: Rh Ta


species: Ca I

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m


species: Co I

species_pp: Co I

sg:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: c c

Wyckoff_letters: a b c c c c


Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cr I

Egap_DOS_type: half-metal


species: Fe I

Wyckoff_letters: e e


species: I K

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

Wyckoff_letters: a b b


species: I Li

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Ni

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


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: Ag I

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd I

species_pp: Cd I


species: I Sn

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ba I

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

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


species: Hg I


species: I Pb

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: e e


species: Fe Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Hf Hg


species: I Zn

species_pp: I Zn


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


species: I Sr


species: Cs I


species: Au Cr


species: Hg S


species: Mn Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pd Ti


species: Co Hf

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cr Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: V Zr


species: Zn Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ce Dy

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ag Y


species: La Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mg Pd

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Ag Au

species_pp: Ag Au


species: Au Hf


species: Ta Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Nb Ta


species: Ta V


species: Ta Zr


species: Hf Nb

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hf V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Zr

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Nb Ti


species: Ta W


species: Os Ti


species: Au Ni


species: Ca In

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La Sc


species: W Zr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Hg Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Rh Tc


species: Ce Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cs Mg

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Re Tc


species: Co Mg


species: Mn Sc

Wyckoff_letters: a b


species: Mo Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca V


species: I K


species: S Zn

species_pp: S Zn


species: O Ti

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d

Wyckoff_letters: c d


species: O Ru

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Ca O


species: Li Tc


species: Cr O


species: F Sn

species_pp: F Sn


species: F Sr


species: Co F

species_pp: Co F


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Os Ti


species: Pb S


species: Mo Re


species: P Sn

species_pp: P Sn


species: Co Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F V

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ca Co

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O V


species: I Ti

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: f g e


species: O Tb

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I V


species: Hf W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Tc

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Li O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: S Zn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: H Mg


species: O Te

species_pp: O Te

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: O Y

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: Hg Tc


species: Fe V


species: Fe Sn


species: La Tc


species: Cd Co

species_pp: Cd Co


species: Ag Mn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O W

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

Wyckoff_letters: k l

Wyckoff_letters: a k


species: O Pb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Ni


species: Pd Sc


species: Bi Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ge Li

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: c c c f f f f

Wyckoff_letters: c c f f

Wyckoff_letters: c c c f f f f


species: B Ti


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: I Zn


species: F Mn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b

crystal_class: rhombohedral

Wyckoff_letters: a d


species: Co Sc

crystal_class_orig: ditetragonal-dipyramidal


species: O Zn

species_pp: O Zn


species: Mn Sc


species: Pt Rh

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Os


species: Sc Ti

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Ir Tc

Wyckoff_letters_orig: c d

crystal_class: hexoctahedral


species: Ca K

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal


species: Os Y


species: Au Sn

species_pp: Au Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Sc Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Tl

crystal_class: ditrigonal-scalahedral


species: Cu O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: I O

species_pp: I O

Wyckoff_letters_orig: e i

Wyckoff_letters: e i


species: C Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c

Wyckoff_site_symmetries_orig: mmm mmm

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: l l l

Wyckoff_letters: a c

Wyckoff_site_symmetries: mmm mmm


species: Cu Mg

crystal_class_orig: hexoctahedral


species: Nb O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Ir Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn W


species: K O


species: Rh Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: La Mn


species: O Zr


species: Hf Nb

crystal_class: monoclinic-prismatic


species: As Se

species_pp: As Se

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Fe Mo


species: Ca Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a f

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


species: Cu Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir La

species_pp: Ir La

crystal_class_orig: ditrigonal-scalahedral


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


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


species: Sc V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: e e


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e


species: Cd Cr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zn


species: I Li


species: Fe I


species: K Mg


species: I Ti

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Ca Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Ru


species: Ni Zr


species: O Tc

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Mn O


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Rh


species: I V


species: F Ti

Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


species: Co Ni

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Zr

Wyckoff_letters: f c


species: Ba N


species: Nb O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: Pb Te

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ge S

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Mg Rh

Wyckoff_letters_orig: a h k

Wyckoff_letters: a h k

Wyckoff_letters: c h


species: Hg Mo


species: Ag Os

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Mn


species: Hg In


species: Fe O

Wyckoff_letters_orig: a a


species: Tc Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Ga N


species: Fe Ta


species: Cr Sc


species: Nb Sc


species: I O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: Eu O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: I Mn

Wyckoff_letters: a c


species: F Sr

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Fe Mg


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


species: O Tb


species: F Fe

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Cu Ge

Wyckoff_letters_orig: c c h h h h h h i i

Wyckoff_letters: c c h h h h h h i i


species: Cr Tc


species: Tc Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Pt


species: O Zr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

Wyckoff_letters: c c

Wyckoff_letters: a b b


species: Ag Re

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cd Eu

species_pp: Cd Eu

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: O Sn

species_pp: O Sn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mo Si


species: Co Mg


species: Bi O


species: Nb Ta


species: Cr Ti


species: Cu Mo


species: Co Cr


species: Co Fe


species: Co Mn


species: Co W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Mo


species: Cu W


species: Mn Mo

Wyckoff_letters_orig: e e


species: Mn Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn W


species: Ni Ti


Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ni W


species: Co Mo


species: Co V


species: Cr Fe


species: Cr Ni

crystal_class_orig: dihexagonal-pyramidal


species: Cu Mn


species: Cu Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Fe Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Zn


species: Mo Ni


species: Mo W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ti V


species: Ti W


species: W Zn


species: Cl Nb


species: Hg Ho

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg S

species_pp: Hg S


species: Hg K

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Hg Li

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters: b l


species: Hg Os


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: Cl K


species: O Pb

crystal_class_orig: ditetragonal-pyramidal


species: Cs Li


species: K Rb


species: Mg Rb

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Pr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c c


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: i i j


species: Co Er

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


Wyckoff_letters: c c


species: Cl Li


species: Cu Er


species: Nd Sm


species: Tb Ti


species: Tb V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Tb Yb


species: Co I

species_pp: Co I


species: Cs I


species: Hf Ta


species: Pd Sc


species: Sm Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Mo


species: Co Nb


species: Mn Ru


species: Nb Zr


species: Ru Sc


species: Co Ir

species_pp: Co Ir

crystal_class: dihexagonal-pyramidal


species: Au Rh


species: Cr Sc


species: Cd Pt

species_pp: Cd Pt


species: Cr Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe I


species: I Li


crystal_class_orig: trigonal-trapezoidal


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd I

species_pp: Cd I

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I In

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ba I

sg:
Pnma #62
Pnma #62
Pnma #62


species: Hg I

species_pp: Hg I


species: I Pb


species: Cu Sm


species: Rh Sc

crystal_class_orig: hexoctahedral


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: Al I

species_pp: Al I

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cs I


species: Cd Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Pt

crystal_class_orig: monoclinic-prismatic

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


species: Ag Sc


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Sc


species: Nb Ni


species: Au Mo


species: Sc V


species: Ag Rh

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Zn

species_pp: Ag Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Ni Ru


species: Pd Re


species: Hf Ta

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hf Ti

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: Mo Nb


species: Nb Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: V Zr


species: Nb Zr


species: Cd V

crystal_class_orig: diploidal


species: Ir Os


species: Ag Tc


species: Cu Pt


species: Ta Ti


species: Ag V


species: Ag Y


species: S Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e


species: Ag S

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Sc Zr

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: O Tc


species: Nb Zn

Wyckoff_letters_orig: c d


species: Li O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: O Os

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: O Sr


species: Ag Hf


species: Os Pd


species: K O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetragonal-scalenoidal


species: Li Ni


species: Cd Pd

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ce Os

Wyckoff_letters_orig: a h


species: O Ti

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Cd Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe S

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a

Wyckoff_letters: c c


species: Ni W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mg O

crystal_class: trigonal-trapezoidal


species: B F

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Cs Pb


species: Ca O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O

species_pp: Co O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Ta

Wyckoff_letters: a h


species: O Sc

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Co Li

crystal_class: ditetragonal-dipyramidal


species: F Mg

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O W

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: a i i i i i i i

Wyckoff_letters: i i i

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


species: Au Cu

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


sg2:
Pm #6
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m 1 1


species: Hf Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Te


crystal_class: dihexagonal-dipyramidal


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a h


species: I Mn

crystal_class: ditrigonal-scalahedral


species: Cu Mg


species: Co V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Zn

species_pp: O Zn

crystal_class: hexoctahedral


species: O Sb

species_pp: O Sb

sg:
Pccn #56
Pmmn #59
Pmmn #59

sg2:
Pccn #56
Pccn #56
Pmmn #59

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e


species: Ag Sc

crystal_class: diploidal


species: Ni O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Fe Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hg W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Zn

species_pp: Cd Zn


species: Mn W


species: O Re

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ir N

species_pp: Ir N


species: Ge O


species: Cu Eu


species: Ca Li


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca O


species: Ca Cr


species: Fe K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Sr

Wyckoff_letters_orig: e f f g h k k k k

Wyckoff_letters_orig: h k

Wyckoff_letters: e f f g h k k k k

Wyckoff_letters: h k


species: Cd Nb

Wyckoff_letters: a h


species: Au Os

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: I Mn

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: O Zr

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters_orig: b c m n

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: m m m n n n

Wyckoff_letters: b c m n

Wyckoff_site_symmetries: m m m m m m


species: Cl Zr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: B Rh

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


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


species: Mn O

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: O Ti

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ge Mo

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Li Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: La V

crystal_class_orig: ditrigonal-dipyramidal


species: Ca Mg

crystal_class_orig: hexoctahedral


species: O Pb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Br Ir

species_pp: Br Ir

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu N

Wyckoff_letters_orig: i l m n r

Wyckoff_letters_orig: a b c d e f

Wyckoff_letters: i l m n r

Wyckoff_letters: a b c d e f


species: O Tb


species: Fe I


species: Al Hf


Wyckoff_letters_orig: b a


species: Li Mn


species: I Ti

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Cu Pd

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Tc

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Li Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb S


species: Hg Ho


species: Cl Se

species_pp: Cl Se

Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: f f


species: F Mn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr F

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li Mg

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe O


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu F

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co F

species_pp: Co F

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr K


species: Sc Zr


species: Ge Te

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cd O

Wyckoff_letters_orig: a f h


species: O Sn

species_pp: O Sn


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e


crystal_class_orig: dihexagonal-dipyramidal


species: C Fe

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f f


species: K O


species: Ca Ni

Wyckoff_letters: a d


species: O Rh

crystal_class_orig: trigonal-pyramidal

crystal_class: hexagonal-pyramidal


species: I Tc


species: Ca Fe

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Nb

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Mn O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: F K


species: O Ru


species: F Pb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe I


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class: trigonal-trapezoidal


species: Hf Zn


species: Fe Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Zn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O W


species: Cd O


species: Mn Mo


species: Be P

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: a b c e f

Wyckoff_letters: g g g

Wyckoff_letters: a b c e f


species: Li Ti


species: Nb O

Wyckoff_letters_orig: i i i i i i

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

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

Wyckoff_letters: i i i i i i

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

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


species: O Rb


species: Cr W


species: Cu Mn

Wyckoff_letters_orig: a d


species: Cu Mo


species: Cu Ti


species: Cu Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Mn


species: Fe Ni


species: Fe W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Mo


species: Co Ni


species: Co W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Cu


species: Cr Fe


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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cr V


species: Cu Fe


crystal_class_orig: tetrahedral

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Cu V


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn W


species: Mn Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Ti


species: Mo V

crystal_class: ditetragonal-dipyramidal


species: Ni W


species: Hg S

species_pp: Hg S

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Te

species_pp: Hg Te

sg2:
Cmcm #63
Cmcm #63
I4/mmm #139


species: Hg Ho

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg In


species: Hg K


species: Hg Mg

Wyckoff_letters: a d


species: Hg Yb

species_pp: Hg Yb


species: K Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Rb


species: Li Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Ta

Wyckoff_letters: b e


species: Pb Ta


species: Rb Ta


species: Ca Ta


species: Hg Li


species: F Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ho O

Wyckoff_letters_orig: e g

Wyckoff_letters: d f


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: g g

Wyckoff_letters: j h


species: Eu Ti


species: Fe Pr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Eu


species: Gd Sm


species: Cu Zn


species: Dy Mn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ce Cu


species: Co Pm

species_pp: Co Pm

Wyckoff_letters: c d e


species: Cr Pm


species: Cr Pr


species: Fe Pm


species: Pr Zn

species_pp: Pr Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co I

species_pp: Co I


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: I Ni


species: Cr Ir

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Fe Y


species: Sc W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ta W


species: Ir Mo


species: Ti Zr


species: Au V


species: Hg W


species: Mo Zr


species: Os Re


species: Co Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pd W


species: Au Ru


species: Cr Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Pd

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Pt


species: Pd Pt

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Al O

species_pp: Al O

crystal_class: ditrigonal-scalahedral


species: Br Hg

species_pp: Br Hg

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Rh

crystal_class: hexoctahedral


species: Mn Nb


species: Ni Sc


species: Nb V


species: Au Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Os


species: Mn Tc


species: Ca I

crystal_class: orthorhombic-bipyramidal


species: Cr I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe I


species: I K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni

Wyckoff_letters_orig: e e


species: Be I


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


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

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

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

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


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j


species: Hg I

species_pp: Hg I


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


aflow_prototype_params_list_relax: a b/a c/a y2


species: I Pb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cr Nb


species: Pt Ta


species: Rh Sc


species: I Sr

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: Au Co

species_pp: Au Co

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ni Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: B Cl

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Co Y

Wyckoff_letters: a c


species: Ag Cd

species_pp: Ag Cd


species: Cu Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ag V


species: Rh Y


species: Co Os


species: Cr Pt


species: Mo Pt


species: O Rb


species: Hf Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb W


species: Cd Y


species: Co Hg

species_pp: Co Hg


species: Mo Ta


species: As O


species: Fe Ru


species: Hf Ir


species: Mn Rh


species: Os Rh


species: Hf V


species: O Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Re Ru


species: Fe Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Se Yb

species_pp: Se Yb


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Cd Cu


species: Fe Tc


species: Hf Sc


species: Ca K


species: O Pb

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_site_symmetries_orig: m m 1


species: Ir Nb


species: Dy Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ge Ru


species: O Ti


species: Mo Zn


species: Bi Rh

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h h h

Wyckoff_letters: e h h h


species: Ni Zn


species: Ga Te

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c d e f f

Wyckoff_letters: c f f

Wyckoff_letters: c d e f f


species: I V


species: Fe O


species: Cr F


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Se


species: F Fe


species: I Tc


species: Ca Cr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: Ge La

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


species: Mg O

Wyckoff_letters_orig: a b f f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a b f f

Wyckoff_letters: e f f


species: Fe Os

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: Fe Se


species: W Zn


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: e e


species: Co K


species: Co V


species: Co O

species_pp: Co O

crystal_class_orig: ditrigonal-scalahedral


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Dy H


species: Co Si

species_pp: Co Si


species: O Ru

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ge S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Ni O


species: Fe V


species: Co Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Li


species: I Ni


species: Li Ni


species: Cr Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru W


species: O Ti

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

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

Wyckoff_letters: i i i i i i


species: Ca Mn


species: I K


species: Mo Os


species: Fe Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Bi Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: As Y

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Co Pt

species_pp: Co Pt


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: c i


species: Pb S


species: C Pr

species_pp: C Pr


species: Fe K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu O


species: I Nb

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

Wyckoff_letters_orig: c c c c c b b a a

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

Wyckoff_letters: c c c c c b b a a


species: O Rh

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr K

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


species: O Os


species: Cd W


species: O W

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Ca Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Re


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I V

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ca Cu


species: Cd Fe

Wyckoff_letters: d i


species: Hf Os


species: Ge Pt

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d

Wyckoff_letters: c c d d


species: Ce O

species_pp: Ce O


species: Cr Zn


species: Ru Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Sb

species_pp: La Sb


species: Ca Li


species: Dy Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pt W


species: I Ni


species: Ca Mg


species: K O


species: Au Mn


species: Cu F


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: I Ti

crystal_class_orig: monoclinic-domatic


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cd O

species_pp: Cd O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg Sr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Sn

aflow_prototype_params_list_orig: a b/a c/a y2


species: O V


species: F Ni


species: Ni O


species: Mg O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Mn O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Os Pd


species: Ni Y


species: Cu Ru


species: Li Ni


species: Gd Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Cr K


species: Nb V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au La

species_pp: Au La

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

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ga Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca Cr


species: As Pt

species_pp: As Pt


species: O Si

species_pp: O Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b b c

crystal_class: tetrahedral

Wyckoff_letters: b b c


species: Cd Zr


species: Ca O


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Sc

sg:
Pnma #62
Pnma #62
Pnma #62


species: O V


species: Ni O


species: Li Ti

sg2:
Pnma #62
Pnma #62
C2 #5


species: Li O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Sc W


species: I Ta

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ni Se

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

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

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

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


species: Ca S

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cu O


species: N Se

species_pp: N Se

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Ta

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c c c d e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c c d e

Wyckoff_letters: e e


species: I Tc


species: I Ti


species: Cd O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: C Ta


species: Co Re


species: H Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O W

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Os Y

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: Ir Sb

species_pp: Ir Sb


species: F Sc

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


species: O Ti


species: Ca Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: I Ta

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: ditrigonal-scalahedral


species: Cr W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ni V


species: Co Mo


species: Cu Mn


crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cu V


species: Fe Zn


species: Mn Ni


species: Ni W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ti Zn

Wyckoff_letters: b c


species: Co Cu


species: Co Mn


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Fe


species: Cu Ti


species: Mo Zn


species: Ni Ti

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


crystal_class: dihexagonal-dipyramidal


species: V W

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: V Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: O Pb


species: Hg Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Li


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg Rb


species: F Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Ta


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce O

Wyckoff_letters_orig: b c


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters: b e


species: Dy Nd

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Pr


species: Sm Ti


species: Sm V


species: Co Mo


crystal_class_orig: monoclinic-prismatic


species: Mn Nd


species: Ce Mn


species: Co Tb


species: Cu Tb


species: Fe Pr


species: Fe Tb

crystal_class_orig: dihexagonal-dipyramidal


species: Ho V


species: Be I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


species: I Zr

crystal_class_orig: triclinic-pinacoidal

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


Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Re


species: Hf W


species: Hg Zn

species_pp: Hg Zn


species: Ag Pt

species_pp: Ag Pt


species: Cr Ru


species: Pt Ru


species: Sc Tc

Wyckoff_letters: c f


species: Cr Hg

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ru W


species: V Y


species: Fe O

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ce Co

species_pp: Ce Co


species: Cu Rh


species: Tc Zr


species: Hg Ru


species: La Mn


species: Mo Ta


species: Au Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cd Cr


species: Ca I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co I

species_pp: Co I


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Li


species: I Mg

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Be I

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: I Zr

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: I Sb

species_pp: I Sb

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

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters: a a a a a


species: Hg I

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Pb

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: Au Hg

species_pp: Au Hg


species: Co Ru


species: Ir Nb


species: Cu I

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: c e

Wyckoff_letters: f f


species: Ga I


species: F Sm

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: Os W

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Tc Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: W Zr


species: Au Os


species: Cr Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os Ta


species: Ta Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Re

Wyckoff_letters: c c


species: Co Tc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mo Y


species: Ti Tm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Rh

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cd Ti


species: Hf Rh


species: Cu Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Au Zn

species_pp: Au Zn


species: Cd Re

Wyckoff_letters: b c


species: Cd Y


species: O Sc

crystal_class_orig: diploidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: c d

crystal_class: diploidal


species: Os Ru


species: Os Y

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Hf Zr


species: Hf Mo


species: Pt V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ta Ti


species: Ta W

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ir Ti


species: Rh Y


species: Cd Os


species: Fe Pd

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ag Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Ru


species: Co Li


species: I Mn

crystal_class_orig: hexagonal-trapezoidal


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: c c


species: V W

crystal_class_orig: ditetragonal-dipyramidal


species: Ca O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: O W

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g g g g g g g g g g g g h h h h h h h h

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters: g g g g g g g g


species: O Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m 1


species: Mn O


species: Cr K


species: Mn Sc


species: Nb O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: F Ti

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: B Mg


species: Cu K


species: O Tc


species: Co F

species_pp: Co F


species: Rb Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I N

species_pp: I N

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Ir O

species_pp: Ir O


species: Fe O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: F Ni

Wyckoff_letters_orig: f f f


species: Ag Mo

sg:
Pmmn #59
Pmmn #59
Pmmn #59


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Zn

species_pp: O Zn


Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: d d d

Wyckoff_letters: c c d

Wyckoff_letters: d d d


species: O Ti


species: Ir Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Mn


species: O Tl

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: b b

Wyckoff_letters: d d a


species: Fe Li


species: Co Si

species_pp: Co Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Zr


species: I K


species: Mn O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Co Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co F

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b


species: W Y


Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Mo O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: O Pt

species_pp: O Pt


species: O V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


crystal_class_orig: ditrigonal-scalahedral


species: Ni Rh


species: Mn Nb


species: Al Cu


species: I Mn

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal


species: Cr O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


species: Bi Ti


species: Ag Ti


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

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

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x1 y1 z1

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x1 y1 z1


species: Mo Pt

Wyckoff_letters: a c


species: Cd 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: F V


sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Co O

species_pp: Co O


species: I Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: e e e f f f

Wyckoff_letters: e f


species: Ca Co


crystal_class_orig: hexoctahedral


species: F Re

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Mn Rh

crystal_class_orig: dihexagonal-dipyramidal


species: Ba N


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: F Ni

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Pb Se

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: Cu O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Re Tc


species: Br Nd

species_pp: Br Nd

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Ca Mn


species: Nb O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Tc


species: Hf La


species: Fe O


species: H Ti

Wyckoff_letters_orig: c c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c c

Wyckoff_letters: c c


species: Li Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li V


species: Pt Y


species: Cr Fe

crystal_class_orig: ditrigonal-dipyramidal


species: O Yb

species_pp: O Yb

crystal_class: ditetragonal-dipyramidal


species: Cu Tc


species: Ca Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Mn


species: Pt Rh

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: I V

crystal_class_orig: orthorhombic-pyramidal


species: Mn W


species: Al Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Bi Pd


species: Fe Li


species: Ru Si


species: Cd Ta


species: Ni O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Mn O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Li Zn

crystal_class_orig: diploidal


species: F V


species: Fe Zn


species: Eu O

species_pp: Eu O

crystal_class_orig: ditetragonal-dipyramidal


crystal_class: ditrigonal-scalahedral


species: O Os

Wyckoff_letters_orig: a b

Wyckoff_letters: f e g

Wyckoff_letters: f a


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Mg

crystal_class: hexoctahedral


species: Cr O

Wyckoff_letters_orig: d d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d d


species: Ge Li


species: Mg Si

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i i

Wyckoff_letters: i i

Wyckoff_letters: a i i i


species: O W


species: Se Sn

Wyckoff_letters_orig: e e


species: Co Li

crystal_class: dihexagonal-dipyramidal


species: Ca Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Rh


species: O V

sg:
Pbcm #57
Pnma #62
P4/mmm #123

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

Wyckoff_letters_orig: c c


species: Co Pd


species: O Sc

Wyckoff_letters_orig: c d


species: Li Ti


species: O Pr

species_pp: O Pr


species: Nb V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Zr

sg:
Pmmn #59
Pmmn #59
Immm #71

sg2:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters: e e


species: C Os

Wyckoff_letters_orig: i i i i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


Wyckoff_letters_orig: c f


species: Cu Ir

Wyckoff_letters: a b


species: Ca Ni


species: Ca Li


species: Ir O


species: Co W


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr F

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e g


species: Mg O


species: I Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Bi Mn


species: N Re

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: Hf W


species: Cr Ga

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Bi Ti


species: F Fe


species: La Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Lu Sn

species_pp: Lu Sn


species: Mo Pt


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Pb


species: Co Cr


species: Co Mo


Wyckoff_letters: c f


species: Co Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Co Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Mo


species: Cu Mn


species: Fe Mo

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Ti

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Fe Zn


species: Mo V


species: Cr V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Zn

Wyckoff_letters: a c


species: Fe Mn

Wyckoff_letters: b l


species: Mo W


species: Ni V


species: Ti W


species: Cl Li


species: Cl Mg

Wyckoff_letters_orig: e e


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: a c


species: Hg Ho


species: Hg K


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cs Li

Wyckoff_letters: e e


species: Cs Ta


species: K Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pb Ta


species: Rb Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hg Li


species: Cl K


species: Hg Yb

species_pp: Hg Yb


species: Er O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: c a


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Dy Tb


species: F Nb

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Dy Mn

crystal_class: ditrigonal-dipyramidal


species: Co Er


species: Co Gd

species_pp: Co Gd


species: Co Sm


species: Cr Eu


species: Cr Yb


species: Cu Eu


species: Fe Tb

Wyckoff_letters_orig: a h


species: Gd V


species: Mn Yb


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr I

Wyckoff_letters: a a


species: I Ni


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: As Mo


species: Cd Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Y


species: Hg Ti


species: La Sc


species: Os Pd

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Re


species: Pd W


species: Re Sc


species: Fe Y

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Mo Rh


species: Cu Eu


species: Hf Tc


species: Ir Ru


species: Mo Zr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: V Zr


species: Ag W


species: Cr Sm


species: Cr Nb


species: Dy Pm


species: Nb Tc


species: Fe Ru

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cr I


species: Fe I

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


species: I K

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I Li

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: I Ni

Wyckoff_letters_orig: e e


species: Be I

Wyckoff_letters_orig: a a


species: Ge I

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: I Zr

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_relax: a c/a y2


species: Ag I

species_pp: Ag I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I In

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

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e e e f f f f f f f

Wyckoff_letters: f f f


species: Hg I

species_pp: Hg I


species: Hf Sc

sg:
Pmma #51
Pmma #51
Pmma #51


species: Mo Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Ga I


species: Pt V

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Sc Y


species: Au Cu


species: Fe Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Ti

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


species: Nb Ni


species: Fe Ta


species: Mn Ru


species: Mo Pt


species: Nb Rh


species: Nb Ta


species: Pd Ta


species: Rh W


species: Tc Ti


species: Nb Ru


species: Cu Hf


species: Ir Mn

Wyckoff_letters_orig: a c


species: Ta Ti


species: Cd Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h


species: Cu Pd


species: La Os


species: Hf W


species: Ta V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Zr


species: Hf V


species: Nb Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: V Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: W Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf La


species: Ag W


species: Mo Te


species: W Y


species: Pt Ti


species: Ir Ta


species: Hf Zn


species: Ca Li

crystal_class_orig: tetragonal-dipyramidal


species: Hg Y


species: Ir La

species_pp: Ir La


species: Co K


species: O Pb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cr Tc


species: Pd Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Lu

species_pp: Ir Lu


species: Li Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Re Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr O


species: Li Mn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ti Zn


species: I Mn


species: O Rh


species: Au Ti


species: Hg O


species: Ca K


species: F V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: W Y


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b k


species: Li Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f


species: Ca Mn

Wyckoff_letters_orig: a d


species: Ni Ti


species: Hf Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni V


crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: B Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

species_pp: Cd O


species: P Sm


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: F Ni


species: Co Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Cr F


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O


species: Nb O

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: K Mg

Wyckoff_letters: a b


species: K Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


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: Mn Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Ir


species: Ca Mn


species: Au Zr


species: Ir Ti


species: Re Sc


species: O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ti


species: Hf Tc


species: Cd O

Wyckoff_letters_orig: a b


species: I V


Wyckoff_letters_orig: b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: F Xe

species_pp: F Xe


species: I O

species_pp: I O

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters: a i i i i i i i


species: I Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mn O

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sb

species_pp: O Sb

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe I


species: Fe Te


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Sb Zn

species_pp: Sb Zn


species: F V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Ca Co


Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Os Pt


species: Lu Sb

species_pp: Lu Sb


species: Cs O


species: Li O


species: Bi Cs


species: Co Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: P Sr

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: a e


species: Co La

species_pp: Co La


species: O Re

crystal_class_orig: orthorhombic-sphenoidal

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

Wyckoff_letters_orig: a a a a

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

Wyckoff_letters: a a a a


species: Cu W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pb Te

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr O


species: Zn Zr


species: Cr Li


species: Nb O


species: Ba Ge

Wyckoff_letters_orig: g j k l m

Wyckoff_letters_orig: n o p q

Wyckoff_letters: g j k l m

Wyckoff_letters: n o p q


species: Al Ba

Wyckoff_letters_orig: f h

Wyckoff_letters_orig: e f

Wyckoff_letters: f h

Wyckoff_letters: e f


species: Pd Re


species: Os W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Mg


species: Ca Cu


species: Cd Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr K


species: Li Ti


species: I Ti

crystal_class_orig: diploidal


crystal_class_orig: ditetragonal-dipyramidal


species: Ca Mg

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Li Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Pb Te


species: I Tc


species: Ag Hg

species_pp: Ag Hg

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ho Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Zr

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Ge Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Pb Se

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Be Nb

crystal_class: ditetragonal-dipyramidal


species: Cr O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Mn Ti

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Mg

Wyckoff_letters: c d e


species: F Sr

crystal_class: hexoctahedral


species: In O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ca Fe

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Cd F

species_pp: Cd F

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Sc


species: Cl Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: O Ru

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal


species: Mg O


species: Li Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cs In

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b f

Wyckoff_letters_orig: f i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b f

Wyckoff_letters: f i


species: O Sn


species: Cd Zn

species_pp: Cd Zn


species: Ag Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pd Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Cr

crystal_class_orig: dihexagonal-dipyramidal


species: Cr Li


species: Ca Cr

Wyckoff_letters: e e


species: Mn W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Dy Ir


species: H V


species: Fe Pt


species: Co F

species_pp: Co F

Wyckoff_letters: b a


species: O W

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: Ca Co

crystal_class_orig: hexoctahedral


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: K O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Ni


species: Ca O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a

Wyckoff_letters: d d


species: Co Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Co Mo

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: I Nb


species: O Pt

species_pp: O Pt


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Co Li


Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ca Cd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Cd O


species: Ca Fe


species: Fe Tc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Ta


species: Cr F

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: I Mn


species: Mn O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca V


species: Ca Ti


species: Ag W


species: F Fe


species: Er S


species: Al Li

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ge S

Wyckoff_letters_orig: e e


species: Pt W

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


crystal_class_orig: trigonal-trapezoidal


species: Ag Sb

species_pp: Ag Sb


species: F Ti


species: Mg Nb


species: Cr V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe Mn

crystal_class_orig: dihexagonal-pyramidal


species: W Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Cu

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cu Fe

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Mo


species: Cu Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Cu V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn W


species: Mo Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mo V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ti V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Ti


Wyckoff_letters_orig: a h


species: Fe Mo

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Ni

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mn V


species: Mn Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mo Ti


species: Mo Zn


species: Ti Zn


species: Cl Nb


species: Cl Ta

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: Cl Cs


species: Cl Pb


species: Hg Li


species: Hg Mg


species: Hg Yb

species_pp: Hg Yb


species: Ca Cl


species: K Rb


species: Li Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Ta

Wyckoff_letters: a h


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Rb Ta


species: K Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: F Nb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Sm


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: b c


Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal


species: Ce Zn

species_pp: Ce Zn


species: Cr Tb

crystal_class_orig: ditrigonal-scalahedral


species: Cr Ni

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Pr V


species: Cr Eu

Wyckoff_letters_orig: a c


species: Nd Zn

species_pp: Nd Zn


species: Dy V


species: Dy Pr


species: Ce Co

species_pp: Ce Co


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Tb

Wyckoff_letters_orig: b d


species: Er Fe


species: Er V


species: Eu Zn

species_pp: Eu Zn


species: Gd Ni


species: Mn Pr

Wyckoff_letters: a c


species: Ba I


species: Ga I

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: Hg I

species_pp: Hg I

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cr I

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d