species: V Zn


species: Co Mn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a c


species: Cr Ni

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a


species: Cr Ti

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Cu Fe

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: Cu Ni

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

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: b d

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: b d

aflow_prototype_params_list_orig: a c/a


species: Cu Ti


species: Fe W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Nb

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg K

crystal_class_orig: ditrigonal-dipyramidal

point_group_structure_orig: dihedral

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

point_group_structure: dihedral

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Hg Mg

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Hg Te

species_pp: Hg Te


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: F Nb

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ca Ta

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Mg Ta

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic


species: Hg Li

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

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: b h

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: F Pb

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c


species: O Pm

species_pp: O Pm


species: Gd Mn

aflow_prototype_params_list_relax: a c/a z2


sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Wyckoff_letters_orig: c c d

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Wyckoff_letters: f g


species: Cl Pb


species: Cl Ta

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type: BCT


species: Cr Ho


species: Dy Ni

Egap_DOS_type: metal


species: Er Fe

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Tb


species: Ho Ni

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Mo Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pr Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tb Zn


species: I In

Egap_DOS_type: insulator

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: I Ni

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

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

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


species: I Pb

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_type: MCLC

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: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: W Zr

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Hg Rh

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

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

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


species: Mn Ta

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Ir Ru


species: Ni Ru

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


species: Ni Zr


species: Cr Y


species: La Pt

species_pp: La Pt


species: Hf Rh


species: Ir Ni


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca I

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: hexagonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: a l

Wyckoff_letters: g h n


species: Fe I

crystal_class_orig: orthorhombic-sphenoidal

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

crystal_class: hexagonal-trapezoidal

point_group_type: enantiomorphic


species: I K

crystal_class_orig: diploidal


species: I Li

crystal_class: diploidal


Wyckoff_letters_orig: m n

Wyckoff_site_symmetries_orig: m m


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: Be I

Wyckoff_letters_orig: a a a a b

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

Wyckoff_letters: a a a a b

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


species: I Rb

Wyckoff_letters_orig: b a


species: I Zr

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd I

species_pp: Cd I


species: I In

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: I Sb

species_pp: I Sb

crystal_class: orthorhombic-sphenoidal


species: Hg I

species_pp: Hg I

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: I Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Pt

species_pp: Ir Pt

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Pt Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Y


species: Cu I


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Al I

species_pp: Al I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ga I

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: c g i i j

Wyckoff_letters: d i

Wyckoff_letters: c g i i j


species: I Sr

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

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

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


Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Cd Cs

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cs Pb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ag Cu


species: Dy Pr


species: Tc Ti


species: Au Cr

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Hf Mo

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hf Zn

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


species: Nb Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Os Zr

Wyckoff_letters: c d e


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hf Ru


species: Ru W


species: Ta V


species: V Zr


species: Hf Ta

crystal_class: hexoctahedral


species: Mo Zr


species: Nb W


species: Ta Ti

sg:
Immm #71
Immm #71
Immm #71


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cd Pd

point_group_structure_orig: symmetric


species: Co La

species_pp: Co La

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Os Tc


species: Ni Ru


species: Ni Y


species: Fe Pd


species: La Ta


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Pm

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: a e


species: Cd Fe


species: Cu Pt

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Mn

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: K Li


species: Fe Re


species: Tc W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Tc

crystal_class: ditetragonal-dipyramidal


species: Ca V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: a e


species: Li Si

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: 2/m m m m m

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: 2/m m m m m

Wyckoff_site_symmetries: m m


species: Ga La


species: O Ti

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: I O

species_pp: I O

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b

Wyckoff_letters: a b b b


species: Cu F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


species: O Os

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr O

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m


species: Li Zn


species: Fe K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pd Zn


species: F Ni


species: Mg O


species: Os Y

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Ba O


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: N Th

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: H Lu

species_pp: H Lu

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: I Li

crystal_class_orig: hexoctahedral


species: Ag Ta

crystal_class_orig: orthorhombic-bipyramidal


species: K Li

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ir Tc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca F


species: As Ca

crystal_class_orig: dihexagonal-dipyramidal


species: F Mn

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: B Mg

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i i i i

Wyckoff_letters: a i


species: Ce Sn

species_pp: Ce Sn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: c g h h

Wyckoff_letters: a g

Wyckoff_letters: c g h h


species: B C


species: Hf Hg

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co Mo


species: Nb Ni


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: I Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: P Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Zr


species: Co Li

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: V W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: As Se

species_pp: As Se

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Nb Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Fe


species: F Ta

crystal_class_orig: ditrigonal-pyramidal


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: O Pt

species_pp: O Pt

crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Cu I


species: Nb W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Sn

species_pp: F Sn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Au Nb


species: O Sr


species: Co O

species_pp: Co O


species: Re Ru


species: Fe Mn


species: Mg Se


species: Cu F

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Au Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Rh


species: Bi Ti


species: In O

sg:
Pccn #56
Pccn #56
Ibam #72

sg2:
Pccn #56
Pccn #56
Ibam #72

Wyckoff_letters: a f


species: Ge Ta

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Co Li


species: Ni O


species: Cr F

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


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: c c d e

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: c c d e


species: Mn O


species: Ir Y


species: Nb O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Ca Mn


species: Hf Ti


species: Cu K


species: O Pt


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: K Li


species: Cu Zn


species: Cr K

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ca Ti


species: Cu Fe


species: Ni Tc


species: Ni Ti


species: Cr Cu


species: Bi O


species: Cu O

Wyckoff_letters_orig: e e


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Dy H

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: O W

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: e e e


species: F Sb

species_pp: F Sb

Wyckoff_letters_orig: i j

Wyckoff_letters: e n


species: I Tc


species: O V

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a a a a

Wyckoff_letters: a a a b b b b b b

Wyckoff_site_symmetries: m m m m m m m m m


species: Ni Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Fe

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: Cu Li

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i i i i i


species: Ca K


species: Li Ti


species: Ru Sc


species: Ni Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Ti


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Cr

crystal_class_orig: tetrahedral


species: Ca Cu

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Li


species: O Sr

sg:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Zn


species: Er Pt


species: Ir La

species_pp: Ir La


species: O W

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: F Sr


species: I Tc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr F

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: Cr Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: O V

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cr O

Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g

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


species: F Mn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: Cr W


species: Cd Cs


species: Li Mn


species: Br Si

species_pp: Br Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag Pd


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


species: K Pb


species: Mg Pb


species: Cu W


crystal_class_orig: tetragonal-dipyramidal


species: Ni V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Ti

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cu Fe


crystal_class_orig: hexoctahedral


species: Fe Ti


species: Fe V


species: Mn Zn


species: Mo Ti

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ni Ti


crystal_class_orig: ditetragonal-dipyramidal


species: Ni W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: W Zn


species: Co V

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu Mn


species: Cu V


species: Fe Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Ni


crystal_class_orig: dihexagonal-dipyramidal


species: Ni Zn


species: Ca Hg


species: Hg Ho


species: Hg Mg


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg S

species_pp: Hg S

crystal_class_orig: diploidal


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: F Nb


species: Ca Ta


species: Cs Li


species: Cs Mg


species: K Nb


species: Li Nb

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Mg Rb

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Cl Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Pr

species_pp: O Pr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: O Sm

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Dy Fe


species: Sm V


species: Cs Pb

Wyckoff_letters: c e d


species: F Ta

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: Ce Zn

species_pp: Ce Zn


species: Cr Yb

crystal_class_orig: ditrigonal-dipyramidal


species: Cu Dy


species: Cu Nd


species: Dy Eu


species: Dy V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Eu Ti


species: Fe Ho


species: Ba I


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ge I

crystal_class: diploidal


species: I Si

species_pp: I Si


species: I Zn

species_pp: I Zn

sg:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f f f e e f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f e e f f f f

Wyckoff_letters: f f f f


species: Cd Cs


species: Co Rh


species: Er Ho


species: Fe Re


species: Ir La


species: Ir Ni


species: Ni Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Zn

species_pp: Ag Zn


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Mo

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Er


species: Y Zn


species: Ni Os

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Rh


species: Ni Re

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Y Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Al O

species_pp: Al O


species: Ta Ti


species: Hf Pt


species: Pt W


species: Sc Ta

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Sc Zr


species: Tc Zr


species: Cr I


species: Fe I


species: I K


species: I Mg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: c f

Wyckoff_letters: c a


sg:
Pbcn #60
Pbcn #60
Cmce #64

sg2:
Pbcn #60
Pbcn #60
Cmce #64

aflow_prototype_params_list_relax: a b/a c/a y2


species: I Rb


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a a a

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


species: I Sn

species_pp: I Sn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


sg:
Pnma #62
Pnma #62
Pnma #62

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

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c c c d d d d d d

Wyckoff_letters: c c d


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Pb


species: Ag Pd

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Hf Zr


species: N Ru


species: Cu I

Wyckoff_letters: e e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Zn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Sr

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: Hf V


species: La Re

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ir Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Os W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Au Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Pt

species_pp: Co Pt


species: Cr Zr


species: Hg Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Y


species: Cr Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Zn Zr

crystal_class: tetragonal-dipyramidal


species: Nb V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ta W


species: Hf Ti


crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Hf W


species: Nb Zr


species: W Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe S

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Ir Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Ru


species: Ni Pr


species: Co Re


species: Cr Pd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Rh


species: La Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Tc

crystal_class: hexoctahedral


species: Mn Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Pd

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ni Ru

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: La O

species_pp: La O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cd Cs

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Co

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Os Sc


species: O Os

crystal_class: ditrigonal-scalahedral


species: Al S

species_pp: Al S

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Fe Zn

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: F Hg

species_pp: F Hg


species: Ti Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Ir Ti


species: I Mn

crystal_class: monoclinic-prismatic


species: O Ti


species: F Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Nb


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e e

Wyckoff_letters: f c


species: Bi O

sg:
Cmce #64
Pmma #51
Pmma #51

sg2:
Cmce #64
Cmce #64
Pmma #51


species: O Si

species_pp: O Si

Wyckoff_letters_orig: e e


species: Al Mg

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Tc


species: Gd O

species_pp: Gd O


species: Cr Mg


species: Cd Ir

species_pp: Cd Ir


species: Fe O


species: Ru V


species: Ag Cr

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: F V

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Mo Nb

Wyckoff_letters_orig: a l


Wyckoff_letters_orig: j i k k

Wyckoff_letters: j i k k


species: Mn O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Li O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: K Li


species: Cr O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: O Re

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Mg O

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Bi Cs


species: Cu Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Tc


species: Cu O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: O Pd

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ca O


species: Cu Li


species: Ce Ge


species: Cu Sr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Se Si

species_pp: Se Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Li Ni


crystal_class_orig: hexoctahedral


species: F V

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: I Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: Li O


species: Pt Ru

sg:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Al Y


species: Ti W


species: Mo Si


species: Fe O


species: I Tc

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


crystal_class_orig: dihexagonal-dipyramidal


species: Fe I

crystal_class_orig: ditrigonal-scalahedral


species: Cr Pt

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ge Hf

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ni O

crystal_class: trigonal-trapezoidal


species: Rh Sn


sg:
Pbcn #60
Cm #8
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: f g e


species: Ca V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Tc


species: Co Pt

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Mg


species: H La

species_pp: H La

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Eu Zn

species_pp: Eu Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e e

Wyckoff_letters: c d


species: Cu Rh


species: F V

aflow_prototype_params_list_orig: a c/a y2


species: F Sn

species_pp: F Sn


species: Fe N

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Pb S

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: O W

Wyckoff_letters: e e e


species: Ca K


species: Ca O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Au Sn

species_pp: Au Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Ti

Wyckoff_letters_orig: a a


species: Ni O


species: Co Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Yb

species_pp: O Yb


species: Ca Cu


species: Li O


species: Ag Hf

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ag Bi


species: K Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: O Pb


species: F V

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Co K


species: Bi F

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: O Ru


species: Ca O

Wyckoff_letters_orig: d i


species: La Nb


species: O Tb

crystal_class_orig: tetragonal-trapezoidal


species: Pb Te

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg Te

crystal_class_orig: orthorhombic-pyramidal


species: Pt V

crystal_class_orig: dihexagonal-pyramidal


species: Cd O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe V

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

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


species: I Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Os


species: Fe I


species: Pd Ru

crystal_class: tetrahedral


species: Sc Tc


species: Fe O


species: Ni Zr

Wyckoff_letters: b f


species: Ca Tc


species: Ca K


species: O Tc


Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ca Zn

crystal_class: hexoctahedral


species: O Si

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Co K


species: Cr Zr


species: Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e


species: O Rh

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d d

Wyckoff_letters: c d


species: O Tl


species: Er H

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal


species: Fe Mn


species: Al H

species_pp: Al H

Wyckoff_letters_orig: i i

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

Wyckoff_letters: i i

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


species: O V

crystal_class_orig: diploidal

Wyckoff_letters_orig: a d

crystal_class: diploidal

Wyckoff_letters: a d


species: Os Sc

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Ho O


species: I V

crystal_class: ditrigonal-scalahedral


species: Cr Mg

sg:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class: orthorhombic-bipyramidal


species: Ir Sn

species_pp: Ir Sn


species: Cr Re


species: Co O

species_pp: Co O


species: Al W

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c g


species: Bi Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Li Ti


species: As B

crystal_class: monoclinic-prismatic


crystal_class_orig: tetrahedral


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Rb


species: O Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe W


species: Mn Mo

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co Fe


species: Co Zn

species_pp: Co Zn


species: Cu Ni

crystal_class_orig: hexoctahedral


species: Mn Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo V

Wyckoff_letters: c e d


species: Ni V

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Co Cr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Mn


species: Co Mo


species: Cu Mo


species: Cu V


species: Fe V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Zn


species: V W


species: O Pb

crystal_class: dihexagonal-pyramidal


species: Hg In

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg K

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg S

species_pp: Hg S


species: Cl Nb


species: Mg Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb Pb


species: Rb Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cl Pb


Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Cl Mg


species: Cr Ho


species: Co Dy

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Eu

Wyckoff_letters: d e


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: F Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


species: F Mg


species: Co Er

crystal_class_orig: dihexagonal-dipyramidal


species: Ce Cr


species: Ce Ni


species: Co Ho

Wyckoff_letters_orig: d e


species: Dy Ni


species: Fe Pm


species: Gd Ti


species: Hg I

species_pp: Hg I


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-scalahedral


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


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: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Fe


species: Cu La


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hf Ni


species: Hg Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La Nb


species: Ag Ta


species: Ag W


species: Cd Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Ta


species: La Ni

crystal_class_orig: tetragonal-dipyramidal


species: Mo Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os Ru

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Zr


species: Mn Y


species: Sc Y


species: Ir Zr

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Os


species: Ir Mn


species: Pt Sc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Sc W


species: Hf Mn


species: Hg Ni


species: Cd Pd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hf Ir


species: Ca I


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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Co I

species_pp: Co I


species: Cr I


species: Fe I

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


crystal_class: tetragonal-dipyramidal


species: I K


species: I Li

Wyckoff_letters_orig: i i


species: I Mg

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: e h b a


species: I Ni

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Hg I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mg Nd

crystal_class: tetrahedral


species: Nb Ru

crystal_class_orig: dihexagonal-pyramidal


species: Ru V

crystal_class: hexoctahedral


species: Cs I

sg:
Pnma #62
Cmcm #63
Cmcm #63


species: Ag Zr

Wyckoff_letters: c c


species: Hf Tc


species: Au Sc


species: Hf Pd


species: Hg Re


species: O Ti

Wyckoff_letters_orig: a a a a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b b


species: Cd Sc


species: Hf Mo


species: Sc W


species: Hg Pd

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: W Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au Y

Wyckoff_letters: b f


species: Nb Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pt Zn

species_pp: Pt Zn


species: Re Tc

crystal_class: dihexagonal-dipyramidal


species: Rh Ta


species: Ta V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Pt Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Ru


species: Co Zr


species: Hg Rh

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


species: Hf V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr

crystal_class: ditetragonal-dipyramidal


species: Hf Nb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Ta

crystal_class: ditrigonal-scalahedral


species: Ba Sb


species: Cd Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Co

species_pp: Au Co


species: Au V


species: Cr Os


species: Mn Tc


species: Cd Ir

species_pp: Cd Ir


species: Cu Os


species: Pb Te

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: Co O


species: Au Ni


species: Cd Rh


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I Mn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Tc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O W

Wyckoff_letters_orig: c c


species: F V

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: Au Zr


species: O Sc

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: F Ti

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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: Cu F

Wyckoff_letters_orig: d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d


species: Ag Cr

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Li

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Hf Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: La Os

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr K

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Li V


species: Pt Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Co

crystal_class_orig: hexoctahedral


species: Ca Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd F

species_pp: Cd F


species: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: Cd Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ir Ta


species: Ir O

species_pp: Ir O


species: Mo Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Nb

Wyckoff_letters_orig: a d


species: F Mn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ag Cu


species: I Mn

crystal_class_orig: diploidal

crystal_class: diploidal


species: O Ru


species: Ba P

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b


species: Cu O


species: Rh Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cd Zr

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 Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Zn

species_pp: O Zn


species: Ca K

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Mn


species: Co Ir

species_pp: Co Ir


species: Ti Y


species: Ag Br

species_pp: Ag Br


species: F Zn

species_pp: F Zn

sg:
Pnma #62
Cmce #64
Cmce #64


crystal_class_orig: dihexagonal-dipyramidal


species: Hf N


species: Cr O


species: Ce In

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Ge H

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Fe O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


crystal_class_orig: ditrigonal-scalahedral


species: F V

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: B N


species: Br Sn

species_pp: Br Sn

Wyckoff_letters: c c


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Cr Sc


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: b d

Wyckoff_letters: f g


species: Cd Os

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: K O


species: Ca Cu

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


species: Cr F

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ti Zr


species: Ca Sb


species: Co Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Hg Th


species: Au Cr


species: Cd Pd


species: Cu F

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: O Sc

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pb S

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cr La


species: Mn W


species: As Nd

species_pp: As Nd


species: Li O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j


species: F Sb

species_pp: F Sb

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: O Tl

Wyckoff_letters: c c


species: Ge O


species: Nb Sc


species: Co O

species_pp: Co O


species: Ca Tc


species: Br Mg


species: O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Zr

crystal_class_orig: monoclinic-domatic


species: Ni O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a


species: Au Zn

species_pp: Au Zn


species: Mg O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cr F

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: O Ru

crystal_class_orig: tetragonal-trapezoidal


species: Tc Zr


species: I V

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: O Sr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Tc


species: Cl P

species_pp: Cl P

Wyckoff_letters_orig: a i i i j j

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i j j

Wyckoff_letters: c i


species: Fe Hg


species: Mn Nb


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F Fe


species: V Zn


species: P S

species_pp: P S

Wyckoff_letters_orig: a c i

Wyckoff_letters: a c i


species: Fe Mg


species: O W

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Re Ti


species: Co Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: O Os

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn

species_pp: O Sn


species: Ni W


species: Ni Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe N

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Li


species: Os Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Mn

Wyckoff_letters_orig: a e


species: La Nb


species: Te V

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: O Ru

sg:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ir Sb

species_pp: Ir Sb


species: Cr Hf

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Pb


species: Pb Rb


species: Cr Cu


species: Ni Ti


species: V W


species: Co Cr


species: Cr Zn


species: Fe W


species: Mo Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Zn


sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Co Mn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Mo


species: Cr Ti


species: Cr V


species: Cr W


species: Cu Ni

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: Cu Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Ni


species: Fe V


species: Mn Ti


species: Ni Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ti V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cl Mg

crystal_class_orig: ditrigonal-pyramidal

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

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

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


species: Ca Hg


species: Hg In

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg K

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Te

species_pp: Hg Te


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Rb


species: Cs K


species: Li Ta


species: Mg Ta


species: Nb Rb


species: Rb Ta


species: Cs Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: K Ta


species: Nb Pb


species: Hg Li


species: F Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Ca Cl

crystal_class: hexoctahedral


species: Cl Pb

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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


species: Er O


species: O Sm


species: Co Sm


species: Cr Nd

crystal_class: dihexagonal-dipyramidal


species: Gd V

crystal_class: ditetragonal-dipyramidal


species: Er Ni


species: Tb Zn


species: Dy Ni


species: Dy Tb


species: Ho Ni


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: f h i

Wyckoff_letters: f h i


species: Sm Zn


species: Ta W


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I In


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Ag W

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Hg


species: Ir W


species: Pd V

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: F Nb


species: Tc Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cd Ru

crystal_class_orig: hexoctahedral


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Re Rh


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Pd


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Rh Zn


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: W Y

crystal_class: ditrigonal-scalahedral


species: Co Nb

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Zr


species: Cr I


species: I K

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e e

Wyckoff_letters: c d


species: I Li

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Mg

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


crystal_class: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a beta


species: I Ni


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a a a a a b

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

Wyckoff_letters: a a a a a a a a b

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


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I In

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: I Sb

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


species: Ba I


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg I


species: Rh V

aflow_prototype_params_list_relax: a c/a


species: Cu I

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b c

Wyckoff_letters: m n


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hf Re

Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_relax: a c/a z3


species: Hg Nb

Wyckoff_letters_orig: a c


species: Os Zn

aflow_prototype_params_list_relax: a c/a z2


species: Hg La

species_pp: Hg La


species: Au Mn

aflow_prototype_params_list_relax: a c/a x2


species: Cu Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Sc V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Mo Se

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters: a a a a b b b b b


species: Rh W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: W Zr


species: Mo Ta

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Nb V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ta Zr

sg:
Pnnm #58
Immm #71
Immm #71


species: Ti Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ti


species: Hf Zr


species: Mo Zr


species: Nb Ti


species: Sr Te


species: Cd Pt

species_pp: Cd Pt


species: Hg Pd

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn Pm


species: Os Ta


species: Au Os


species: Cr Rh

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Pd Se


species: Ag Au

species_pp: Ag Au


species: Hf Pd


species: Mn Nd


species: Tm Zn

species_pp: Tm Zn


species: Pt Rh

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: S Si

species_pp: S Si


species: Cr Pd


species: Fe Pt


species: Hf V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu O


species: O Sr

sg:
Aem2 #39
Cmme #67
Cmme #67

sg2:
Aem2 #39
Cmme #67
Cmme #67

Wyckoff_letters_orig: c d

Wyckoff_letters: g m


species: I Tc


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Te Zn

species_pp: Te Zn


species: Cu Li


species: O V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: O Pd

crystal_class_orig: diploidal


species: Se Sn

species_pp: Se Sn

crystal_class_orig: trigonal-pyramidal


species: Mo W


species: I Li


species: F V

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cd O

species_pp: Cd O

Wyckoff_letters: a c


species: I Ti

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Ca Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb Rh

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pd Rb

Wyckoff_letters_orig: h n

Wyckoff_letters: h n


species: Rh Zn


species: Ag Re

Wyckoff_letters_orig: a f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Si Y

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ni O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Li Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Ni


species: N Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: H W


species: Mg O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b


species: Ir Pt

species_pp: Ir Pt


species: Ca Cu


species: Fe Li

Wyckoff_letters_orig: c d e


species: Ca Li


species: Ca Co


species: Ho Te

Wyckoff_letters_orig: a c


species: I Mg


species: I O

species_pp: I O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: Hg O

species_pp: Hg O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Fe S

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Fe O


species: K Mg


species: O Ru


species: B La

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Co F

species_pp: Co F


species: Cd O


species: Pb S


species: Ni Rh


species: F Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: La Ni

Wyckoff_letters_orig: a d i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a d i

Wyckoff_letters: i i j


species: O Rh

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: Pb Te

Wyckoff_letters_orig: i i i i


species: O Ti


species: Nb Rh


species: I V


species: Cr O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


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 V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Te


species: F Mn


species: Nd Te

species_pp: Nd Te


species: Li Ni


species: Ca K

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Sr

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: C Ru


species: Li Ti


species: Ni O


species: Ho Ir


species: Mn O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O V


species: Mo Os


Wyckoff_letters_orig: a c


species: Mo Y

Wyckoff_letters: e e


species: Ca Tc

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: H Li

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

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


Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


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: Li Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Tc


species: Cu Mg


species: Ir Tb

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Fe


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mn Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Fe Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Rh

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sr

Wyckoff_letters: a c


species: I K


species: Sc Zr

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: In O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: g h

Wyckoff_letters: h g g


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Ta Y

Wyckoff_letters_orig: a c


species: O W

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Cr O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: F Ti

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: Co Os

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Co


species: O Tc


species: Ir O

species_pp: Ir O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: K O

sg:
Pbam #55
Pbam #55
P4/mbm #127

sg2:
Pbam #55
Pbam #55
Pbam #55

crystal_class_orig: orthorhombic-bipyramidal


species: Cu Hg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Se Sn


species: Ti Zr

Wyckoff_letters: c d


species: Co Ni

Wyckoff_letters: e e


species: O Pb


species: Tc V


species: Te Zn

Wyckoff_letters_orig: i i i i


species: Al Th

sg:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a g i

Wyckoff_letters: a g i


species: O Si

species_pp: O Si

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

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


species: F Mn

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Dy Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Bi Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sr

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: I Tc

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Co F

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr V

crystal_class: diploidal


species: Cr La


species: Li Mg


species: F Fe

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Ni Sc


species: Fe Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: O W

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b


species: C Ca


species: Mn Ti


species: Hf O


species: Cr Sc

crystal_class_orig: tetrahedral


species: O Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F V

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Ca Li


species: F Zn

species_pp: F Zn


species: Ca Tc


species: K O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Ca V


species: Al Os

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb O


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: Mg Pb

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Co Fe

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Cu V

crystal_class_orig: dihexagonal-pyramidal


species: Cr V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Mn

Wyckoff_letters: d e


species: Cu W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: V W


species: Cu Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe W


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn V


species: Ni Ti

Wyckoff_letters_orig: a f


species: F Rb


species: Hg K

Wyckoff_letters_orig: a g i j

Wyckoff_letters: a g i j


species: Hg Se

species_pp: Hg Se


species: Ca Rb


species: Ca Ta


species: K Nb

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Li


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sm

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Cu Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ni Pr


species: Sm Zn


species: Cl Mg

Wyckoff_letters_orig: a a


species: Eu Zn

species_pp: Eu Zn


species: Ce Ho


species: Dy Ni


species: Pr Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Al I

species_pp: Al I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

species_pp: Cd I


species: Ga I


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I In


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Ni


species: Cu Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Mn Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os Tc

crystal_class: tetrahedral


species: Re Sc


species: Re Ta


species: V Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Pt

species_pp: Co Pt

crystal_class: ditrigonal-scalahedral


species: Ni Rh


species: Fe Nd


species: Hf Re


species: Ni Ru


species: Ag La

species_pp: Ag La

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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: Au Y


species: Hf Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: La Mo


species: Au Rh


species: Cd Os

Wyckoff_letters_orig: a c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters: a c


species: Cu Hg


species: Hg Re


species: Ca I


species: Cr I

crystal_class_orig: hexagonal-trapezoidal


species: Fe I


species: I Li

crystal_class_orig: tetragonal-scalenoidal


species: I Mg

crystal_class_orig: ditrigonal-pyramidal

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: b b c a a a

Wyckoff_letters: b b c a a a


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Be I


species: I Zr


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd I

Wyckoff_letters_orig: d b i

Wyckoff_letters: e i


species: I Sn

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg I

species_pp: Hg I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d

crystal_class: rhombohedral

Wyckoff_letters: a d


species: I Pb


species: Au Re


species: Au Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Os Sc


species: I Sr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe La

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: I Zn

species_pp: I Zn


species: Pt Ti


species: W Zr


species: Au Sc

crystal_class_orig: hexoctahedral


species: Cd W


species: Mn Zr


species: Mo Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc W


species: V Zr

crystal_class_orig: dihexagonal-pyramidal


species: Cr Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Ta


species: Hf Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf I


species: Pd Ta


species: Ta W


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ni Y


species: Cd Ir

species_pp: Cd Ir


species: Cr Mn

crystal_class: dihexagonal-pyramidal


species: Hf Zr

crystal_class: hexoctahedral


species: Mo Ta


species: Ta V


species: Hf Mo

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb V


species: Ta Zr


species: Br Zr


species: Hg Ta


species: La Pt

species_pp: La Pt


species: Au Mn


species: Cr Tc


species: Hf Pt


species: Mo Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Se


species: Ca O

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Cr Ir


species: Hf Ru


species: Au Zn

species_pp: Au Zn

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Si Sm


species: Ag Sc

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Fe Mg


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Mn


species: Cd Pt

species_pp: Cd Pt

crystal_class: diploidal


species: Li Mg

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Ag Tc

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Nb O

crystal_class: tetragonal-scalenoidal


species: F V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: F Ti

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e g


species: O Y

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Nb


species: Nb Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Re


species: Fe Sc


species: O W

Wyckoff_letters_orig: n m


species: Mo Pd

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: Co Li


species: K O


species: Ge O

Wyckoff_letters_orig: e e


species: F Ni

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Li


species: Ga Sc


species: Ca O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: O Sr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a 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: I Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d


species: Hf Tc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mg S

crystal_class_orig: trigonal-trapezoidal


species: O Yb

species_pp: O Yb


species: Li O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: a h


species: I Mn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti


species: Ca Ni


species: I Ti

aflow_prototype_params_list_orig: a c/a z2


species: Dy Se


species: Co Li


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Er Si


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: b a


species: F Ni

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

Wyckoff_letters: e g i


species: Cl Y


species: S Zr


species: Cr Ni


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: C Ru


species: Li V


species: Co F

species_pp: Co F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Sn Zr

aflow_prototype_params_list_orig: a c/a


species: Ca V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Bi O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: W Zr


species: Cu Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Pd


species: Ca Zn


species: Ru Zn


Wyckoff_letters: a d


species: I Mg

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Fe I

crystal_class: ditrigonal-scalahedral


species: Re Zr


species: Fe Zr

crystal_class: orthorhombic-bipyramidal


species: Cr F

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f

Wyckoff_letters: f f f


Wyckoff_letters_orig: c d d e

Wyckoff_letters: c d d e


species: I Li


species: Nb Os

crystal_class_orig: diploidal


species: Cu F

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: O V

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b


species: O Sn

species_pp: O Sn


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cu K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd S

Wyckoff_letters_orig: a c j

Wyckoff_letters: a c j


species: Fe Mg

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ge Se

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: I Ta

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

Wyckoff_letters_orig: e e

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

Wyckoff_letters: e e


species: O W

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


Wyckoff_letters_orig: a d


species: Hg Re

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Zn


species: Cd O

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Cu Mg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: C Ca


species: Ca Mn


Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: Pr Sn

species_pp: Pr Sn


species: Cd Zn

Wyckoff_letters: c c


Wyckoff_letters: a d


species: Cr F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: O Re

Wyckoff_letters_orig: e e e f f f

Wyckoff_letters: e e e f f f


species: Mo Zn


species: Mg Sb


species: Ca O


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: K Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Mo


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a


species: I Ti


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: Fe K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Sc Tc


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Ti

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: La Sc


species: Ni V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: Fe O


species: O Sn


species: Co K

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Li Zn

Wyckoff_letters_orig: a d


species: Ca V


species: Pb Se


species: Cd Cr


species: Fe Y


species: Nb W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Fe Tb

aflow_prototype_params_list_orig: a c/a x2


species: Br Ti

Wyckoff_letters_orig: g g g g h h

Wyckoff_letters_orig: a g h

Wyckoff_letters: g g g g h h

Wyckoff_letters: a g h


species: Mn Pd

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co F

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O


species: Li V


species: Se Zn

species_pp: Se Zn


species: Sc Ti


species: Ge Te


species: O Pt

species_pp: O Pt


species: Nb Rh


species: Se Sn

species_pp: Se Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: N Sn

species_pp: N Sn


species: I Mn

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ca Li


species: Mg Pb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Fe


species: Cr W


species: Cr Zn


species: Cu Mn


species: Mn Ni


species: Mo Zn


species: Co Cu

Wyckoff_letters: a d


species: Co Mn


species: Co V

crystal_class_orig: hexoctahedral


species: Cr Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cu Fe


species: Cu Ni


species: Fe Mn


species: Fe Mo

Wyckoff_letters: a b


species: Ni W

Wyckoff_letters: a h


species: Ti W


species: V Zn


species: Ca Cl

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Cs F


species: F Nb

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: Hg K


species: Hg Li


Wyckoff_letters_orig: a d


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs Mg


species: K Nb

crystal_class: orthorhombic-pyramidal


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: O Pb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho Ni

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cl Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Er


species: Cr Nd


species: Dy Eu


species: Er Ti


species: Fe Ho


species: Mn Pr

Wyckoff_letters_orig: a h


species: Sm Yb


species: Cr I

Wyckoff_letters_orig: a a


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co I

species_pp: Co I


species: Hg I

species_pp: Hg I

Wyckoff_letters: a a


species: I Pb


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Ag Ti

crystal_class_orig: tetragonal-dipyramidal


species: Ag Zn

species_pp: Ag Zn


species: Au Nb

Wyckoff_letters: a d


species: Cu Re


species: Hf Pd


species: Hf Ta


species: Ta Zr


species: V Zr

Wyckoff_letters: a e


species: Au Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Y


species: Mn Ta

Wyckoff_letters_orig: a b


species: Ni Pt


species: Cd La

species_pp: Cd La


species: Fe Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os Tc


species: Ag Cu


species: Ag Hg

species_pp: Ag Hg


species: Co Pd


species: Ru Sc


species: Cd Sc


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Ni

crystal_class: tetrahedral


species: Co Pt

species_pp: Co Pt


species: Mn Nb


species: Os Pt


species: Pd Zn


species: I K

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Mg

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Ni


species: I Zr

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

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

Wyckoff_letters: a a a a


species: I In

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: I Sn

species_pp: I Sn


species: Hg I


species: La Mn


species: Cd F

species_pp: Cd 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: Y Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Nb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Nb


species: Ir V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Rh Y


species: Ag La

species_pp: Ag La

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Ir


species: Cd Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Er Tl

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Ni


species: Pt Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Rh


species: Hf Mn


species: Pt Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Au Cu

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ti Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: V Zr


species: Hf Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Ta


species: Nb V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


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


species: Ta Ti


species: Ag La

crystal_class: hexoctahedral


species: Ag Ru


species: Ag Se

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Cd Ta


species: Nb Tc


species: Pt Rh


species: Si Tb


species: Fe Re


species: Hg Zr


species: Cr O

crystal_class_orig: trigonal-trapezoidal


species: F Mn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: As Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a c i i i i i i

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

Wyckoff_letters: i i i i

Wyckoff_letters: a d i i i i i i

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


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: K Li

Wyckoff_letters_orig: a d


species: Co Zr

Wyckoff_letters_orig: a i


species: O Tc

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Al Mn


species: Re W


species: Mn O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Li V

Wyckoff_letters: a d


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: C N

species_pp: C N


species: O Tl

Wyckoff_letters_orig: c c

crystal_class: diploidal


species: Co F

species_pp: Co F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c b e

Wyckoff_letters_orig: n n

Wyckoff_letters: d a


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mn Pd

crystal_class: dihexagonal-dipyramidal


species: I V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Co Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Te Zn

species_pp: Te Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ga Hf

crystal_class: ditetragonal-dipyramidal


species: Ca Mg


species: F Sr


species: O V


species: Ca Tc

crystal_class_orig: hexoctahedral


species: Co Ir

species_pp: Co Ir


species: O Ru


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: c a f


species: Mg O

Wyckoff_letters_orig: e e


species: O Sc

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ag Pd


species: Li Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c c c b

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

Wyckoff_letters: c c c c c c c b


species: K O

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: Ca Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sn

species_pp: O Sn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: F Mn

crystal_class: orthorhombic-bipyramidal


species: O Rh


species: Fe Zn


species: Cl Si

species_pp: Cl Si

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters_orig: f f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f f f f f

Wyckoff_letters: f f f


species: Bi Cs

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Au Tc


species: Co Li

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: f f


species: Ca Co


species: Re Sc


species: C Fe

Wyckoff_letters_orig: c d


species: Pr Pt

species_pp: Pr Pt


species: O V

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: O Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ag Bi


species: Ni O


species: Pd Sc

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Cu K


species: Li Zn


species: Nb W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O W


species: Fe Hg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Pt


Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: d c e f k k


species: Ga Hf


species: Cl Nb

Wyckoff_letters_orig: d d i i

Wyckoff_letters: d d i i


species: Cr Li

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Mg


species: F Ni

Wyckoff_letters: c d


species: Mg O


species: F Li


species: Ga Pd

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

species_pp: Cd O

crystal_class: dihexagonal-pyramidal