species: Au Co

species_pp: Au Co


species: Cd Pd

Egap_DOS_type: metal

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Fe Ir

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: a h

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: a h


species: Fe Zr

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

lattice_system_relax: orthorhombic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: c i

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCF

Wyckoff_letters: b f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ir W

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: ditrigonal-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: a d

crystal_system: hexagonal

crystal_class: ditrigonal-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: a d

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Mo Pt

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Hf Ir


species: Re Y

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

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

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


species: Hf Rh

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Os

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: d i

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


species: Mo Y

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ta Zn


Egap_DOS_type: insulator

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: c c c


species: Nb Ni

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Pt Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Pt


species: Be Cl

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: La Pd

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Mo Re

crystal_class_orig: hexoctahedral


species: Ir Pt

species_pp: Ir Pt

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

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 c

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c c


species: Re W

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Tc Zn


species: Ag Mn


species: Au Zr


species: Sc V


species: Ca I

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

point_group_type: polar

Wyckoff_letters: b c


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Cr I

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

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


species: Fe I


species: I K

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: I Li

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

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: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: I Mg


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Ba I

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

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

crystal_class: ditrigonal-pyramidal

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


species: I Pb

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: g g

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: g g


crystal_class_orig: orthorhombic-pyramidal

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

Wyckoff_letters_orig: a a b

Wyckoff_letters: g g h h h

Wyckoff_letters: g e


species: Cr Nb


species: Ir Tc


species: Pd Ti

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu I

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Re

Wyckoff_letters: c d e


species: Ir Ta


species: Rh Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Cr

point_group_Schoenflies: T

point_group_structure: alternating


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: La Pt

species_pp: La Pt


species: Ag Ni

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c e

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: c e


species: Ir Rh

Wyckoff_letters_orig: c d


species: Ru Tc


species: Sc W


species: Tc V


species: Cd Mn


species: Fe Tc


species: O V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Re Ru


species: V Zr


species: Mo Pd

crystal_class_orig: dihexagonal-pyramidal


species: Zn Zr


species: Mo Se


species: La Os


species: Mn Pd

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Ta Zr


species: Hf Ta


species: Ti Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Pd


species: Hf Nb

Wyckoff_letters: c d


species: Mo Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Ta


species: Nb W


species: Nb Zr

sg:
Pnnm #58
Immm #71
Immm #71


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: W Zr


species: Ir Re


species: Ir V


species: Pd Ta


species: Au Pd


species: Cs Pb


species: Tc Zn


species: La Y


species: Ir Ni


species: Fe Pt


species: Ni Pd


species: Nb Sc


species: Ag Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir O

species_pp: Ir O

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL


species: Mn O

Bravais_superlattice_lattice_type_orig: MCLC

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Cr Rh


species: Ag Ru


species: Ag Cr


species: O Ti

Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Li Mg


species: Fe Li


species: Bi O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: Mg O

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Ca Ti


species: Ni O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b


crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Tc Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Nb Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Rh

Wyckoff_letters_orig: a b c

Wyckoff_letters: f e g

Wyckoff_letters: f a


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O

species_pp: Cd O


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Cl Pb

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ga Ni


species: Cu K

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: P Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

point_group_structure: cyclic

Wyckoff_letters: a c c


species: Cr Mn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Si

Wyckoff_letters_orig: d f

Wyckoff_letters_orig: g g


species: I Mn


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Li V


species: Cu Pr


species: Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a b c d d

Wyckoff_letters: d d d d d d


species: Mo Re


crystal_class: ditrigonal-scalahedral


species: F V


species: Ca Tc


species: Mn O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mg Se


species: Hf W

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mg N


species: O Sr


species: Cd Zr

crystal_class_orig: monoclinic-prismatic


species: Eu O

species_pp: Eu O


species: Cu K


species: F Li


species: O Re

Wyckoff_letters_orig: h i


species: Ca O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ti

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Lu Tc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: K Li


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ca Cu


species: Ca Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Zr


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a a


species: H Zr


species: F Ti

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: Nb Sc


species: Re Sc

Wyckoff_letters: h i


species: P Ru

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Ni

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: a a a a a a

crystal_class: rhombohedral

Wyckoff_letters: b a


species: As Fe


species: Ca Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: I Nb


species: Co Hf

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca F

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m


species: Nb O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c h


species: Ni Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Dy O

crystal_class_orig: diploidal

crystal_class: diploidal


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ge S


Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ag La

species_pp: Ag La


species: F Tl

Wyckoff_letters_orig: b a


species: Hf Nb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Cu Mg


species: La Pd

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters: a c


species: Cu W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: K O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Cr O


species: O Yb

species_pp: O Yb


species: Pd Zr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Si Th


species: Ca O

sg:
Aem2 #39
Cmme #67
Cmme #67

sg2:
Aem2 #39
Cmme #67
Cmme #67

Wyckoff_letters_orig: c c d

Wyckoff_letters: g g m


species: Ca Cl

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters: a b g g


species: F Mn


species: N Zr

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: b d i i i i i i i

Wyckoff_letters_orig: c i i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: b d i i i i i i i

Wyckoff_letters: c i i i i i i i


species: O Si

species_pp: O Si

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ni W


species: Co O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: O Ta

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d f


species: Ni O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: Li Tc


species: Ir O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b

Wyckoff_letters: c c


species: Ho Se

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f h

Wyckoff_letters: e e

Wyckoff_letters: f h


species: Mo Ru


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Rh

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O


species: I Ti

sg:
Pmmn #59
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O Tb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


species: O Ti

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ca Ni


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Mn O


species: Li O

crystal_class: orthorhombic-pyramidal


species: Mo Zn


species: Mg O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li V


species: O Sc

crystal_class_orig: dihexagonal-pyramidal


species: Ag Cr


species: K Li

sg:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-bipyramidal


species: Sn Te

species_pp: Sn Te


species: I Tc

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: F Ti


species: Ni O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Mn Zr


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Nd Sb

species_pp: Nd Sb


species: Sc Y


species: F Nb


species: S Zn

species_pp: S Zn

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Cr Li


species: Mg Se

Wyckoff_letters_orig: i i i i


species: Cr F

crystal_class_orig: ditrigonal-pyramidal


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: b c m m n

Wyckoff_letters: n m

Wyckoff_site_symmetries: m m


species: Fe Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class_orig: diploidal


species: Hg Ru

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Pb


species: O Rb


species: Pb Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cs Pb


species: Co Mn


species: Co Mo


species: Co Ni


species: Cr Ti

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr W


species: Cu Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Fe Mo

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

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


species: Mn Ti


species: V W


species: V Zn

Wyckoff_letters: a c


species: Co Cu


species: Cr Cu


species: Cr Fe


species: Cr Mo

Wyckoff_letters: c d e


species: Cu Mo


species: Cu Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Zn


species: Fe Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe W

Wyckoff_letters: a h


species: Mn Ni


species: Mo V


species: Mo Zn

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ti V


species: Ti Zn

Wyckoff_letters_orig: c d


species: F Nb


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Hg Te

species_pp: Hg Te

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Ho

crystal_class_orig: hexoctahedral


species: Hg In

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg K


species: Hg O

species_pp: Hg O


species: Hg Rb


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a c


species: Ca Rb


species: Cs K


species: Rb Ta


species: Li Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Li

Wyckoff_letters_orig: a h


species: O Sm

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Co Sm


species: Cu Tb


species: Co Nd

species_pp: Co Nd


species: Cr Sm


species: Er Fe

crystal_class_orig: ditrigonal-dipyramidal


species: Mn Mo


species: Ni Sm


species: Ho Pr


species: Cr Pm


species: Dy Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ho Mn


species: Ho V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: V Yb


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

point_group_structure: trivial

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 In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni


species: I Pb


species: Hg Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Mn

crystal_class: ditetragonal-dipyramidal


species: La Tc


species: Os Ru


species: Os Re


species: Sc V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Os

Wyckoff_letters: a c


species: Ir Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Nb


species: Mo Ru


species: Ru Ti

crystal_class: orthorhombic-bipyramidal


species: Fe Nd

crystal_class: dihexagonal-dipyramidal


species: Hf Ti


species: Mn Re


species: Au Hg

species_pp: Au Hg


species: Fe Ir


species: La Y


species: Pd Zn


species: Hg Sc


species: Rh Sc


species: Ru Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca I


species: Co I

species_pp: Co I

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Cr I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe I

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: I K

crystal_class_orig: dihexagonal-pyramidal


species: I Li

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: I Mg


Wyckoff_letters_orig: d h

Wyckoff_letters: d h


species: I Ni

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: I Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd I

species_pp: Cd I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I In

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Sn

species_pp: I Sn


species: Ba I

crystal_class_orig: monoclinic-prismatic


species: Cu Pt

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu I

Wyckoff_letters_orig: b d h

crystal_class: hexoctahedral

Wyckoff_letters: b d h


species: I Zn

species_pp: I Zn


species: I Sr

crystal_class: dihexagonal-pyramidal


species: Hf W


species: Hg Sc

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Pr S

species_pp: Pr S

crystal_class_orig: tetrahedral


species: Nb Re


species: Cd Ni


species: Ir Sc


species: Os Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os Rh

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd Ru

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Cd Co

species_pp: Cd Co


species: Hg W


species: Mg Zn


species: Os Ti


species: Cr Eu


species: Cr Hg


species: Mn Ru


species: Ta Zr


species: Hf Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sr Te


species: Ti Zr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Au Hf

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Tb Yb

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ba Te

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


species: Cr La


species: Co Pm

species_pp: Co Pm


species: Rh Zr


species: S Sn

species_pp: S Sn

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Br Nb

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ba O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c c d


species: Cl Zn

species_pp: Cl Zn

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ca Mg


species: Li Ti


species: Ca Cu


species: Ca Ti

crystal_class_orig: hexoctahedral


species: Hf Ru

crystal_class: tetrahedral


species: Ga Zr


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: d c


species: Bi O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: Cr Sc


species: Fe Rh


species: O Tc


species: K Li

crystal_class_orig: ditrigonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Si Zr


species: Li Ni


species: Ca O


species: Bi Ti


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c

Wyckoff_letters: d e f


species: O Ti

sg:
Amm2 #38
Cmmm #65
Cmmm #65

sg2:
Amm2 #38
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c c d e

Wyckoff_letters: n g h


species: O Pt

species_pp: O Pt

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Cr O

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Au Zn

species_pp: Au Zn


species: Co Mg

crystal_class: ditrigonal-scalahedral


species: La Rh

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Ca N

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cr Re


crystal_class: ditetragonal-dipyramidal


species: Cd Cr


species: O Rh

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc


species: Zn Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Te

crystal_class_orig: tetragonal-trapezoidal


species: Al F

species_pp: Al F

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: O Si

species_pp: O Si

Wyckoff_letters_orig: c e e f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e e f


species: F Ni

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Si Th

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Fe

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: c c c


species: In P

crystal_class_orig: dihexagonal-pyramidal


sg:
Pbcn #60
Pbcn #60
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63


species: Ca V


species: Fe O


species: Hf Si

sg:
Pnma #62
Cmmm #65
Cmmm #65

sg2:
Pnma #62
Cmmm #65
Cmmm #65


species: Pt Re

crystal_class_orig: dihexagonal-dipyramidal


species: Te Zn

species_pp: Te Zn

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: I O

species_pp: I O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Bi Cs


species: Os Zr


species: Cu Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr F

crystal_class_orig: orthorhombic-bipyramidal


species: Ag Ru


species: Au Th


species: Ca O

Wyckoff_letters_orig: a f h


species: O V

crystal_class_orig: ditrigonal-pyramidal


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Fe Nb

crystal_class_orig: hexoctahedral


species: Ir O

species_pp: Ir O


species: Ca Ni


species: Ca F

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: Cr Mg


species: Li Tc

crystal_class_orig: tetrahedral


species: Ge Hf


species: Rh Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cr O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: b a

Wyckoff_letters: c a


species: Fe H

Wyckoff_letters_orig: d d f g

Wyckoff_letters: d d f g


species: Ir Ti


species: Fe Os

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Cu F

crystal_class_orig: tetragonal-scalenoidal


species: O Sc


species: Mg Se

crystal_class_orig: monoclinic-domatic


species: Fe N

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mg O


species: K Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe I

crystal_class_orig: ditrigonal-scalahedral


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Rh

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m


species: Ni Tc


crystal_class_orig: diploidal


species: Bi O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Co O

species_pp: Co O


species: Ni O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Ti

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Cd Pt

species_pp: Cd Pt


species: Cr K


species: S Sn


species: O Tc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: Li Mn

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: F Mn


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Re


species: Cr Zr


species: Fe O

Wyckoff_letters: c d


species: Cu F


species: K O


species: Pb S

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: F V

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ca K


species: Cu O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: O Sr

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Ir Rb


species: I Mn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Nb

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd Cs


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir O

crystal_class_orig: orthorhombic-sphenoidal


species: Ca Ti


species: Bi Cs


species: Au Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O


species: Pd Tc


species: Ag Bi


species: I Ti


species: Er Tl


species: Fe Li


species: Hf O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: F Fe

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Mn


species: Co Li


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu Sn


species: Ag Pt

species_pp: Ag Pt


species: O Ti


species: La O

species_pp: La O


species: Cd O


species: O Zn

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cd Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: K Mg

crystal_class_orig: ditrigonal-dipyramidal


species: Ca O


species: O V


species: Ca Co


species: Bi Ti


species: Mg Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mg Pb


species: Cu Fe


species: Fe Zn


species: W Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Ni


species: Cu Mn


species: Cu Zn


species: Fe Ti


species: Fe V


species: Mn V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni Ti


species: Ni Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Cr

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co Mn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cu V


species: Cu W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c

Wyckoff_letters: a h


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn Mo


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Ti


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cl Pb

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


sg2:
Pnma #62
Pnma #62
P1 #1

Wyckoff_letters_orig: c d


species: Hg Yb

species_pp: Hg Yb


species: Ca Ta


species: Cs K


species: K Rb


species: Nb Pb


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Li


species: Ca Cl

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: F Ta

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ce O

species_pp: Ce O


species: Gd O

species_pp: Gd O

crystal_class_orig: rhombohedral


species: Dy O

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

Wyckoff_letters_orig: f f f f f f f f

crystal_class: rhombohedral

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

Wyckoff_letters: f f f f f f f f


species: Fe Sm

crystal_class: ditrigonal-dipyramidal


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Pr Ti

crystal_class: dihexagonal-dipyramidal


species: Nd Yb

species_pp: Nd Yb


species: Cl Nb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Cr Er

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Tb


species: Er Ni


species: Mn Tb


species: Nd Ti

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ni Sm


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni Yb


species: Pr V


species: Tb V


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: I Sr

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ag Mo

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Hf Ti


species: Ir Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Zr


species: O Pb


species: Ta Zr


species: Mo Pt


species: Cd Nb


species: Cu Pd


species: F Ni


species: Cd Cr


species: Cr Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Bi

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Ir

species_pp: Ag Ir


species: Ir V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ta Zn

crystal_class_orig: dihexagonal-pyramidal


species: Au Rh


species: Co Pt

species_pp: Co Pt


species: Pt Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Ca I

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Fe I


sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: I Li


species: I Ni


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class: dihexagonal-pyramidal


species: Hg I

species_pp: Hg I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a


species: Cu I

crystal_class: hexoctahedral


species: Co Ir

species_pp: Co Ir


species: Hf Ni

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Nb


species: Cr Ir

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hf Ta


species: Ir Tc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Pd Zn


species: Co Pd


species: Fe Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Y


species: Nb Pd

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pd Sc

Wyckoff_letters: a d


species: Hf Y


species: Ta Tc


species: Fe Sm


species: Hg Y


species: Cr Rh


species: Hf Ti


species: Ta V


species: Hf V

Wyckoff_letters_orig: d g


species: Ta Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf W


species: Mo Ta


species: Mo Zr


species: Nb Sc


species: Nb V


species: Nb Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ag Pt


species: Cu Se


species: Tc Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Te


species: Cd Sc


species: Hg Ti


species: La Tc


species: Tc Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag La

species_pp: Ag La


species: Au Ta


species: O Zn

species_pp: O Zn


species: La Ta

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sn Sr


species: Fe O


species: F V

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mo Pt


species: Nb P

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: O Ti


species: Ca Cu


species: Ca Mg

crystal_class_orig: dihexagonal-dipyramidal


sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: F Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Co Ni

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Re

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cd Co

species_pp: Cd Co

crystal_class_orig: diploidal


species: F Mn

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: Cu V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Re Sc

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Cu Ti

crystal_class_orig: monoclinic-prismatic


species: Li O

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Ca Zn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Er Os


species: Ca Fe


species: Pb S


species: Ca Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ru Ta


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Ta


species: Ag Bi

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Mn


species: H Mn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: Li Mn

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


species: Co Os


species: Fe Ru


species: O Pb

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Y


species: Cu O

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: I Ta

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: Ca O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a c/a z4


species: Ho O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

crystal_class: diploidal


species: Mo O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: O Sc

crystal_class: ditetragonal-dipyramidal


species: O Sn

species_pp: O Sn


species: O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i i


species: Co O

species_pp: Co O

Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Ir N

species_pp: Ir N

crystal_class: dihexagonal-dipyramidal


species: Ag Os

crystal_class_orig: ditrigonal-scalahedral


species: O Zr


species: Pd V

crystal_class_orig: ditetragonal-dipyramidal


species: Be Nb

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Al Th


species: F Ti

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e g


species: Ca Cr


species: Cr V


species: Hf Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Mg


species: F Fe

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Mn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


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


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Fe Zn


species: W Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Hg

species_pp: Cd Hg


species: Nb O


species: P V


species: Fe Li

crystal_class: monoclinic-prismatic


species: O Pb


species: Ni O


species: In N

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: F Zn

species_pp: F Zn


species: F V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Ca Zn


crystal_class: hexoctahedral


species: Ag Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sn


species: Nd S

species_pp: Nd S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: a i i i i 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_site_symmetries: 2/m m m m m m m m


species: Ca Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Sb

species_pp: F Sb


species: Fe Ru


species: Cu La

crystal_class_orig: dihexagonal-dipyramidal


species: Li V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Y

Wyckoff_letters_orig: c c


species: I V

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

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


species: F Ni


species: I Mn


species: N Re


species: Co Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Cu


species: Y Zr


species: Ca O


species: O V

Wyckoff_letters_orig: g g

Wyckoff_letters: i h


species: O W

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Au Pd


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Fe Li


species: Bi Ti

sg:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Pd


species: O Sc

Wyckoff_letters_orig: c d


species: Hg Mn


species: Co Ni


species: Ca Mn


species: O Sn


species: Au Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd O

species_pp: Cd O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: K O


species: Mn Ni


species: Pd Sr


species: Li Tc


species: Hg N

species_pp: Hg N


species: Ti V


species: Ca Li


species: Mo Se

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: f h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: f h i


species: Mn O

Wyckoff_letters: c c


species: Bi O


species: F V


species: Ga Se

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Fe V


species: O Ti


species: Pb Te

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Fe Pt


species: F Li


Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Cu La


species: Ag Bi


species: O W

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: h h

Wyckoff_letters: a d g


species: Nb S


species: Pb Rb


species: Fe Ni


species: Co Cr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Mn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cu Ti


species: Cu Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mo Ti

crystal_class_orig: diploidal


species: Mo W


species: V W


species: Co Cu


species: Co Mo

Wyckoff_letters_orig: c d e


species: Cr Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr Zn


species: Cu Ni


species: Fe Mo

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn Mo


species: Mn V


species: Mo V


species: Mo Zn


species: Ni Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ni W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: W Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Nb

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Hg In

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Ho

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg K

Wyckoff_letters: c e d


species: Hg Rb


species: O Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Cs Rb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Nb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Li Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Rb


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Li


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: Ca Cl


species: Cl Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ce O

species_pp: Ce O


species: Ce Cr


species: Er Zn


species: Co Ho


species: Eu Zn

species_pp: Eu Zn


species: V Yb


species: Mn Pm


species: Ce Ni

Wyckoff_letters: g f


species: Co Er


species: Co Pm

species_pp: Co Pm


species: Cr Tb


species: Dy Ti


species: Fe Yb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ho Zn


species: Pr Ti


species: Pr Zn

species_pp: Pr Zn


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Co I

species_pp: Co I


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs I


species: I Pb


species: Er Pm

Wyckoff_letters_orig: g f


species: Hf Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Pd


species: Os Ru

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Rh Zr


species: Ag Zn

species_pp: Ag Zn


species: Ir W


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Rh

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Zn

species_pp: Ir Zn


species: Pt W


species: Ir V


species: Os Rh


species: Cr I


species: Fe I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I K


species: I Li


sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: I Ni

crystal_class: orthorhombic-pyramidal


species: Ge I

crystal_class: tetrahedral


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a a a a


species: Ag I

species_pp: Ag I


species: I In

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: I Sn

species_pp: I Sn


species: Ba I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: f g h h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f g h h


species: I Pb

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cd O

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Cr Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Tc Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Y

crystal_class: ditetragonal-dipyramidal


species: V Zr

crystal_class_orig: tetrahedral


species: Cr Ir

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal


species: Hf Nb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Os


species: Ta Zr


species: Mo Ta

crystal_class_orig: ditrigonal-scalahedral


species: Pd Y

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ag Pt

species_pp: Ag Pt


species: Cd Mn


species: Hf Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Y


species: Au Cd

species_pp: Au Cd


species: Er Hg


species: Cd Fe


species: Mo Zr

Wyckoff_letters_orig: c c c


species: Cd Os

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hf Zr


species: Mo Nb


species: Nb W


species: W Y

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Ta

crystal_class_orig: dihexagonal-dipyramidal


species: La Ni


species: Cu Pd


species: Sn Ti


species: F Mn

Wyckoff_letters_orig: b b b b b b b b b b b b b b b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b b b b b b b b b b b b b b b

Wyckoff_letters: b b b b


species: Li Si

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a c c c c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a c c c c c c

Wyckoff_letters: c c c


species: Ca Fe


species: Fe Ni


species: Pb Te

crystal_class: monoclinic-prismatic


species: N Pd

crystal_class: hexoctahedral


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn W


species: O W


species: Nb Os


species: Bi O

crystal_class_orig: orthorhombic-pyramidal


species: F Mg

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: O V

sg:
Pnma #62
Pnma #62
Cmcm #63


species: Li Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co O

species_pp: Co O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b


species: O Tl

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e j

Wyckoff_letters: f a


species: I Li


species: La O

species_pp: La O


species: Cu O


species: Au Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sr


species: As Ta

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Sc

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: c f


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Tc W


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Ru W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Ca Mg


species: Nb Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ir Zn

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mg Se


species: F Ni

sg2:
Immm #71
Immm #71
Immm #71


species: Ni Os

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Pt

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Sc


species: Co Nb


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e


species: Cu F


species: Cl H

species_pp: Cl H

sg:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O Zn

species_pp: O Zn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: O Ru


species: Cu K


species: S Sn

species_pp: S Sn


species: Ca Li


aflow_prototype_params_list_orig: a b/a c/a y2


species: Cu Mg


species: Co O


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Zn

crystal_class: tetrahedral


species: Cr K


species: As In

Wyckoff_letters_orig: c f


species: Ge Se


species: Fe Li


species: Cr O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cs Pb

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Sc

Wyckoff_letters: c e d


species: Cu Re


species: B W

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Bi O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Cd F

species_pp: Cd F


species: Mn Ni


species: O Tc


species: Cr Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Lu Pt

species_pp: Lu Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Bi Ti

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca V


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd V


species: Nb Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Ni


species: I O

species_pp: I O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

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

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

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


species: Os Sc


species: O Ta

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: I Nb

crystal_class: ditrigonal-scalahedral


species: Al O

species_pp: Al O

Wyckoff_letters_orig: a a


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b c


species: Hf Pd

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Re Tc

crystal_class_orig: tetrahedral


species: Mo Ta


species: Ca K

crystal_class: dihexagonal-dipyramidal


species: F Fe

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Hf V


species: I V


species: Co O

crystal_class: hexagonal-trapezoidal


species: La Y

crystal_class_orig: ditrigonal-scalahedral


species: F Ti


species: Mn O

Wyckoff_letters_orig: c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c c


species: V Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pb S


species: O Ti

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: P Ti

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g


crystal_class_orig: diploidal

crystal_class: diploidal


crystal_class: hexoctahedral


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Au Sr

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: O V

Wyckoff_letters_orig: e e h h k k

Wyckoff_letters_orig: c d e f g


species: C Ti

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a d g

Wyckoff_letters: i j


species: O Ru


species: Ca Fe


species: Ga N

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: g h


species: Dy Sn

Wyckoff_letters_orig: a a a b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b b b


crystal_class_orig: trigonal-trapezoidal


species: O W

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Fe Sc


species: Al O


species: Fe Hg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ni


species: Mg O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Eu O

species_pp: Eu O


species: Ti Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cu Mg

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


species: Ca Zn

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cd F

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Li O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: O Rh


species: Mn Mo

crystal_class: tetrahedral


species: H Sc

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a b b c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a b b c c


species: Ca V

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Li Ti

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Lu Se

species_pp: Lu Se

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f h

Wyckoff_letters: e e

Wyckoff_letters: f h


species: O Ta


species: Pb Rb


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Cu

crystal_class: ditrigonal-scalahedral


species: Co Fe

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Zn


species: Cu Fe


species: Cu Ti


species: Fe Mn

Wyckoff_letters_orig: c c


species: Fe Mo


species: Mn Ti


species: Mo Ti

sg2:
Pnnm #58
Immm #71
Immm #71


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: V W


species: Co W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mo


species: Cu Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe V

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Fe W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn W

Wyckoff_letters: a e


species: Ti V


species: W Zn


species: F Pb

Wyckoff_letters_orig: a a


species: Ca Cl

Wyckoff_letters: a a


species: Hg Li


species: Ca Nb


species: K Nb


species: Li Rb


species: Mg Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rb Ta


species: Ca Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs K


species: Nb Rb

Wyckoff_letters: c c


species: O Pb

sg:
Ama2 #40
Cmcm #63
Cmcm #63


species: O Pr

species_pp: O Pr


species: O Sm

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


Wyckoff_letters_orig: d i


species: Dy Sm


species: Cr Gd


species: Cr Pr


species: Cu Er


species: Ce Cu


species: Ce Ni

crystal_class: ditetragonal-dipyramidal


species: Co Dy

crystal_class: dihexagonal-dipyramidal


species: Cr Pm


species: Er Ti


species: Er V


species: Fe Ho

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Yb


species: Mn Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nd Sm


species: Nd Ti


species: Ni Pr


species: Pm Pr

species_pp: Pm Pr


species: Ba I


species: Cr I


species: I In

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e h h h

Wyckoff_letters_orig: h h

Wyckoff_letters: e e h h h

Wyckoff_letters: h h


species: Au W


species: Cu Ru


species: Mo Zr

Wyckoff_letters_orig: c c


species: Pt Rh

crystal_class_orig: dihexagonal-pyramidal


species: Rh Tc


species: Au Pt

species_pp: Au Pt


species: Hf Tc


species: Ni Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Sc Ta


species: La W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mn Nb


species: Ag Bi

crystal_class_orig: tetragonal-dipyramidal


species: Cr Pt


species: Ca O


species: Hg Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pd Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Cr I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a e

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a c/a z4


species: Fe I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Li


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: hexoctahedral


Wyckoff_letters: g g


Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I Zr

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a d g h


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Cu Tc


species: Ru Ta


species: Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu I

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: a d

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


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: I Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cu Nb


species: Mn Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mo Ru

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cu Zr


species: Hf V


species: Ti Zr


species: Au Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cd Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Os

crystal_class_orig: ditrigonal-scalahedral


species: Cu Ru


species: Ni Pt

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Sb

crystal_class_orig: tetrahedral


species: Re W

Wyckoff_letters_orig: a d


species: Sc W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Os Rh

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ta Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ta Zr


species: Cr Hg


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Re

crystal_class_orig: diploidal


species: Mo Nb


species: Nb W


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: V Zr


species: Fe Os

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Tc


species: Mo Rh


species: O Pm

species_pp: O Pm

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Cd Tc


species: Nb S

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe Li


species: Cr F

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: Ge S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: e e e


species: Ni Zn


species: Nb O


species: H Rb


species: F Zr

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


species: Ni O


species: O Pb

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: g l

Wyckoff_letters_orig: c f

Wyckoff_letters: g l

Wyckoff_letters: c f


species: Ca Co


species: In O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O Tc

crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co F

species_pp: Co F

Wyckoff_letters: a a a


species: Cr Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Ti Zr


species: Ta V


species: Ca Ni


species: O Rh

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Wyckoff_letters: a d


species: Ca Fe

Wyckoff_letters: b h


species: O Zn

species_pp: O Zn

sg:
Pnma #62
Pnma #62
Cmce #64


species: Ca K


species: Al Gd

species_pp: Al Gd

crystal_class: hexoctahedral


species: Ca Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: I Zn


species: Cl Sb

species_pp: Cl Sb

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: F Tl

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: F Ni

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: I Mn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Cr O


species: Nb Ta


species: Bi O


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Br Pd


species: C Nb


species: Eu O

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Mg


species: Ge Pr

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a l

Wyckoff_site_symmetries_orig: mmm m..

Wyckoff_letters: a l

Wyckoff_site_symmetries: mmm m..


species: Ca F

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Fe Ru

crystal_class_orig: hexoctahedral


species: Nb Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Os


species: Ni Zr


species: Ir Zn

species_pp: Ir Zn

crystal_class_orig: tetragonal-dipyramidal


species: K O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Ni O

crystal_class_orig: trigonal-trapezoidal


species: F Ni

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Mn O


species: Ga Ir


species: Be Ta

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Re


species: Cd Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Co

crystal_class_orig: ditrigonal-scalahedral


species: Ni Te


species: Al Pt

species_pp: Al Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mg


species: Cd Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe O

sg:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Ca Li


species: Cr O

Wyckoff_letters: c c


species: Mn W


species: Ca F

Wyckoff_letters_orig: e e e e


species: Ca Mg


species: Ca V


species: Co Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni O

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Fe Pt


species: Cu O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: Ca Cr


species: I V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Mg

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Zn

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Pd Zn


species: V W


species: Mg O


species: Rh Sr

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: K Li


species: Fe W


species: Co O

species_pp: Co O

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Fe Mg


species: Cr V


species: Os Tc


species: Ca K


species: O Sc

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Cu Ti


species: O Ti

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: d a

Wyckoff_letters: c e b m


species: I Mn


species: K Mg


species: Nb O


species: O W


species: F Ni

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Bi Pt


species: Ag Ir

species_pp: Ag Ir


species: Ni O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Pd Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ir Nb


species: I Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Cr K

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Cu

crystal_class: ditrigonal-scalahedral


species: Ir V


species: O Rb


species: Ca Fe


species: Ca Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu Ti


species: Si Zr


species: Cu F

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a


species: Fe N

crystal_class_orig: hexagonal-pyramidal


species: Al Th

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ba F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh W


species: Cd Zn

species_pp: Cd Zn


species: Cd Se

species_pp: Cd Se


species: Li Ti


species: Li Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: S Sn

species_pp: S Sn


species: O Pb


species: Ca Zn

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: O Os

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O Zr

crystal_class_orig: hexagonal-trapezoidal


species: Se Zn

species_pp: Se Zn


species: F Ni


species: Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mo Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe K


species: Cu O


species: Co Cr


species: Bi S


species: Ca Cu


species: Ga Ho

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: Ta W


species: S V

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: O V

Wyckoff_letters_orig: a e

Wyckoff_letters: e a


species: Ru Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W

Wyckoff_letters_orig: a a


species: O Rh

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: F Ti


species: Hf O


species: Fe W


species: Fe Hg


species: Li O

crystal_class_orig: diploidal


species: O Ta

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: Cu K


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: K O


species: Mo O

Wyckoff_letters_orig: e e

Wyckoff_letters: c c

Wyckoff_letters: c c c


crystal_class_orig: hexoctahedral


species: O Zr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

Wyckoff_letters: a b b


species: Cd Ti


species: Sc Sn

Wyckoff_letters: a e


species: Cr Ir

crystal_class: ditetragonal-dipyramidal


species: O Ti


species: Hg Mn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ru Zr


species: O Tc


species: O Sb

species_pp: O Sb

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Mg

Wyckoff_letters: a a


species: Au Hf


species: K Pb


Wyckoff_letters_orig: i i i

Wyckoff_letters: f c


species: Pb Rb

crystal_class: dihexagonal-dipyramidal


species: Mg Nb


species: Mn Ti


species: Mo W


species: Co Fe

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu Fe

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cu Mo


species: Fe Ni


species: Mn Ni


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Ti V


species: V W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Ti


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Mn


species: Cu V


species: Cu W

Wyckoff_letters: e e


species: Fe V


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo Ni

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ti Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: F Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Cl Nb


Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: Hg Ho


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


species: Hg K


species: Hg Li

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

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: a h


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: K Rb


species: K Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Rb


species: Nb Pb

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ca Nb


species: Cl Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ta

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: O Yb

species_pp: O Yb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal


species: Tb Zn


species: Eu Ni

Wyckoff_letters_orig: g h


species: Cl Mg

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a


species: Ce Cr


species: Ce V


species: Co Sm


species: Cr Er


species: Cr Sm


species: Fe Ho


species: Mn Tb


species: Tb V


species: Ba I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I In


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Au Pd

crystal_class_orig: tetragonal-dipyramidal


species: Cs Pb


species: Fe Nb


species: La Zr


species: Nb W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Pt Ru

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h


species: Ag Nb


species: O Ti

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Sc


species: Nb Y


species: Ni Rh

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Nb


species: Hg Ir

species_pp: Hg Ir


species: Ir Zr


species: F Ta

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f

Wyckoff_letters: e e


species: Hg Ru

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Mn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ni Y


species: Pt Ta


species: Sc Zr


species: Fe Sc


species: Ir Y


species: Ag Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: W Zr


species: Au Sc


species: Hf Os

Wyckoff_letters: a c


species: Ag Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: Hf Mo

Wyckoff_letters_orig: a c


species: Mn Tc

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Au Ni


species: Ca I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e


species: Co I

species_pp: Co I


species: Fe I


species: I K


species: I Li


species: I Mg

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: I Ni


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I Pb


species: Au Re


species: Cd W


species: Cr Sc


species: Cu I


species: Ga I

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: Hg Nb

Wyckoff_letters: a h


species: Ni Se


species: Pd Ta


species: Pt Zr


species: Cd Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Ru


species: Ag Ni


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Zn


species: La Ni

aflow_prototype_params_list_orig: a c/a x2


species: Rh Ti


species: Os Sc


species: La Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn

species_pp: O Sn

sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ru Zn


species: W Zr


species: Hf Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Nb


species: Ta Ti


species: Hf V


species: Mo Ta

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Nb Zr


species: Ta W

Wyckoff_letters_orig: a i

Wyckoff_letters: a f

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


species: Fe Se

Wyckoff_letters_orig: b b b a a a c c

Wyckoff_letters: a a a b b b c c


species: Ta Zn


species: La V


species: Mn Ru


species: Ag Ru

sg2:
Immm #71
Immm #71
Immm #71


species: O Pr

species_pp: O Pr


species: Ag Zn

species_pp: Ag Zn


species: Au Ta


species: Cl Gd

species_pp: Cl Gd

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: i i i


species: Cr Rh


species: F Nb

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


species: Li Mn

Wyckoff_letters_orig: b e


species: Cr O


species: Ir La

species_pp: Ir La


species: I Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: Cu Pd


species: B S

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Ag Bi


species: Si V


species: F V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al La

species_pp: Al La

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Tc


species: Ca Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: F Zn

species_pp: F Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Co O

species_pp: Co O


species: Dy O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Ag Ru


species: O Pr


species: Cl Ge

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: a b e

Wyckoff_letters: e h

Wyckoff_letters: a b e


species: Er Sn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a b

Wyckoff_letters: a a a b b


species: Ca Mg


species: As S

species_pp: As S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: e e f g g g

Wyckoff_letters: g g g g

Wyckoff_letters: e e f g g g


species: O W


species: I Zn

species_pp: I Zn

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

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


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Li O

sg:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: F Ti


species: K O


species: Pb Se


species: Hf La

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co K


species: Er Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Si

species_pp: O Si

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Ni O

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Mn O

aflow_prototype_params_list_orig: a c/a z2


species: O Sr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a


species: I Nb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Fe Mg

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cu F


species: K Li

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cd O

species_pp: Cd O

crystal_class: orthorhombic-bipyramidal


species: Os Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Hf

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Co


species: Cd Ni


species: Hf Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Bi O

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h


species: F V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


crystal_class_orig: diploidal

crystal_class: diploidal


species: K N

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Fe


species: Pt Y


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Au Pd


species: Nb Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I V

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Ag Bi


species: Cu K


species: Cr Pd

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Mn O

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: c e


species: S Zn

species_pp: S Zn


species: Ir V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Rh Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Yb

species_pp: O Yb

sg2:
Pnma #62
Immm #71
Immm #71


species: Li Ni

crystal_class_orig: tetrahedral


species: Ti W

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Au Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V


species: Ca Ni


species: O W

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Hf Hg

Wyckoff_letters_orig: c e


species: Fe Mg


species: Cr Zn


species: Mo N

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: F Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pt

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ca Mn


species: S Sn

species_pp: S Sn


species: I Mn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: c i i i

Wyckoff_site_symmetries: 2/m m m m


species: O Tc


species: Cu Li


species: O Os

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Cr Li

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Bi O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d


species: O Sr

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal