species: I Nb

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: O V

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: O Yb

species_pp: O Yb

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Fe Sb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

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: B Mn

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: La Os

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Ti

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Ca Ni


species: Mn V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: As Nb

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g


species: O Zr


sg:
Pnma #62
Pbcm #57
Pbcm #57

sg2:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a d d


species: Ni O

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: Hf Ni

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: F Sr

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c


species: As Zr

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic


species: F Ni


species: F Mg

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: Cd Ru

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Os

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC


species: Fe O

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: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Cr Zn

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Co Li

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: Mo V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Ni

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

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

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: O V

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC


species: O Sn

species_pp: O Sn

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b


species: O Y

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Li V


species: O Zn

species_pp: O Zn


species: O Ru

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Fe S

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: C Co

species_pp: C Co


species: F Ni

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ca Co

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Tl


species: Rh Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ca F

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

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

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

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


species: Ba N


species: Cd O

species_pp: Cd 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: Li Mn

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

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: Ge O


species: Hg Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Dy Te

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC


species: Fe Li

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: O Os

Wyckoff_letters_orig: b g

aflow_prototype_params_list_orig: a c/a x3


species: I O

species_pp: I O


species: F Mg


species: I V

sg:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Fe O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Ni O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m


species: Nb Os


species: Cr F

Bravais_lattice_orig: TRI

lattice_system_orig: 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_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral

point_group_structure: cyclic


species: Li O

sg:
Pnma #62
Immm #71
Immm #71

sg2:
Pnma #62
Immm #71
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI


species: Co Sc

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Ag Hg

species_pp: Ag Hg

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: F V

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mo Ru


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cs Pb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: O Ta


species: Cr Ti


species: Co Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Mo


species: Cr V


species: Cu Ti


species: Cu W

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Mo


species: Mo Ti


species: Ti W


species: V W


species: W Zn


species: Co V


species: Cr Cu

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: a d


species: Cu Ni

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Zn


species: Fe Mn


species: Fe Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe W


species: Mo Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Mo W


species: Cl Ta


species: F Mg


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Er Hg


species: Hg Ho

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Li

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg Rb


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cl Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cs Li


species: K Nb


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: K Rb


species: Li Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li Ta


species: Nb Rb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Ta


species: Cl Mg

crystal_class: tetragonal-trapezoidal


species: F Nb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Eu O

species_pp: Eu O

crystal_class_orig: dihexagonal-pyramidal


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Eu Ni


species: Pr V


species: O Pb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cl Pb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cl Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Pb

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Wyckoff_letters_orig: d b i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: d a i


species: Ca Cl


species: Gd Zn

species_pp: Gd Zn

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cr Er

Egap_DOS_type: metal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Ho


species: Cu Tb


species: Dy V


species: Nd Zn

species_pp: Nd Zn


species: Pr Yb

species_pp: Pr Yb


species: Cr I

Egap_DOS_type: insulator

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


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: Cr La


species: Nb Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pd Ti


species: Ta V


species: Ta W


species: V Zr

Wyckoff_letters_orig: a d


species: Cr Tc

point_group_Schoenflies: T

point_group_structure: alternating


species: La Ru


species: Os Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_relax: a c/a x3


species: Ag Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Zn

species_pp: Ag Zn


species: Hg Pd

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Ti


species: Os V

Wyckoff_letters_orig: a c


species: Pt Ta

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a b/a c/a x3


species: Os Ta


species: Y Zr


species: Cd Nb


species: Ir Zn

species_pp: Ir Zn


species: La Os


species: Au Hf

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cr Se

Egap_DOS_type: half-metal

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cu Zr


species: Hf Rh

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Tc


species: Cd Fe


species: Cd Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh Ru


species: Hg Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i


species: Mo Rh


species: Co I

species_pp: Co I


species: I Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ni

Wyckoff_letters_orig: c c


crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e e e


species: I Rb


species: I Zr

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: I In

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Sn

species_pp: I Sn

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

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b c c c c


species: Ba I

crystal_class: ditrigonal-scalahedral

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


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: I Pb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cu I

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: I Zn

species_pp: I Zn

crystal_class: hexoctahedral


species: Ga I

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal


species: Cs I


species: Cr Zr

crystal_class: orthorhombic-bipyramidal

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Dy Pm


species: Hf Ir

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e


species: Os Tc


species: Sc W

crystal_class: ditetragonal-dipyramidal


species: La Ti

sg:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Ti


species: Nb Re

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O

species_pp: Co O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Ag O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Mo Y

crystal_class_orig: ditrigonal-dipyramidal


species: Nd Sm


species: Os W

Wyckoff_letters: a c


species: Os Ti


species: Nb Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: V Zr


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Nb

crystal_class_orig: tetrahedral


species: Mo Nb


species: Ta W


species: I Ti

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l m m

Wyckoff_letters_orig: a c l

Wyckoff_letters: k l m m

Wyckoff_letters: a c l


species: Hg Ir

species_pp: Hg Ir


species: Ir La

species_pp: Ir La

crystal_class: ditrigonal-dipyramidal


species: Ni Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Tc

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: O Pd

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I Nb


species: Cr Sc


species: O Tc

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: C Cr

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c c c d d

Wyckoff_letters: c d

Wyckoff_letters: c c c d d


species: Pd W

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Li Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Li Ti


species: Nb O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Ca Ti

crystal_class_orig: hexoctahedral


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a e


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Ca F


species: Fe Mg


species: O Os

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Ni Ti


species: O W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: g h h h

Wyckoff_letters: g h h h


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a k l

Wyckoff_letters: a k l


species: Eu O


species: Fe Mo


species: Ca Ni


Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Co Zn

species_pp: Co Zn


species: Cr O

Wyckoff_letters_orig: i i


species: F Ni


species: Bi O


species: Co O


species: Se Sn

species_pp: Se Sn


species: Ce Sn

species_pp: Ce Sn


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c


species: O Zn

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g


species: O V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: Ca Sb

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d


species: O Tl


species: Cr F

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: I Tc

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: Sb Yb

species_pp: Sb Yb


species: Cr K

Wyckoff_letters: c d


species: I V

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


species: Ge Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Li


species: Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Mg


species: Ge N

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: d a


species: Fe K

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Gd Pt

species_pp: Gd Pt

Wyckoff_letters: c c


species: C Nd

species_pp: C Nd


species: Ca V


species: Ag W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Pt


species: Li V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Mn


species: Cr Ru


species: O Zn

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca F


species: Hg W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Sc W


species: Bi Se


species: O W

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: O Sb

species_pp: O Sb


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Tc

Wyckoff_letters: e e e


species: Nb Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Ga Mg


species: O V

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Hg Sc

Wyckoff_letters: b c


species: O Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e


species: O Rh


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Sc V


Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: N Sr


species: Se Sn

crystal_class: trigonal-trapezoidal


species: Bi Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Cu La

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral


species: Ca Tc

crystal_class: hexoctahedral


species: Nb Ru


species: Ca Mn


species: Eu S

species_pp: Eu S

Wyckoff_letters_orig: a c


species: Pd Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li Ti


species: Cr Mg

Wyckoff_letters: a c


species: I Ti

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Ti


species: Ni Sb


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe N

crystal_class_orig: triclinic-pinacoidal

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: b c i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: c b i i i


species: K O


species: O Pd


species: O Os

Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: I Tc

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Bi Cs

Wyckoff_letters_orig: a b


species: Ca Co

crystal_class: orthorhombic-bipyramidal


species: Ca O


species: O Zr


species: Hg Te

species_pp: Hg Te


species: Mg O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Pb Se

crystal_class: ditetragonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Tc

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: H Ni

Wyckoff_letters_orig: a c i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a c i i i

Wyckoff_letters: i i i


species: S Si

species_pp: S Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Cr Sc


species: Mo O

crystal_class_orig: ditrigonal-dipyramidal


species: Cd Cu

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Li Tc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: O Sn

species_pp: O Sn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: O Sr

Wyckoff_letters_orig: i i i i


species: Hg Y


species: Fe Mg


species: Hf Ni


species: I V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu Li

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn Pt


species: Cd Tc

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ni O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: C Rh


species: V Zr


species: Mg Nb


species: Mn Ti

Wyckoff_letters: a d


species: Co Cu


species: Co Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Co Mo


species: Cr Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu V


species: Fe Mn

Wyckoff_letters_orig: d g


species: Fe Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn V


species: Ti V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Fe


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Mn


species: Cr Ni


species: Cr W

Wyckoff_letters_orig: a d


species: Cr Zn


species: Cu Fe


species: Cu Mo


species: Cu Ni


species: Mn W


species: Mn Zn


species: Mo V


species: Ni V


species: O Pb

Wyckoff_letters_orig: b c d

Wyckoff_letters: b c d


species: Ca Cl

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Hg Mg


species: Hg Se

species_pp: Hg Se

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ca Cs

crystal_class: tetrahedral


species: Cs Nb


species: Hg In


species: Hg Li


species: Hg S

species_pp: Hg S


species: Hg Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K Nb


species: Mg Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Rb


species: Cl Pb

crystal_class: monoclinic-prismatic


species: Cl Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: F Nb

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Hg O

species_pp: Hg O


species: O Sm

crystal_class_orig: trigonal-trapezoidal


species: O Yb

species_pp: O Yb


species: Gd V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Sm


species: Cl Cs


Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: a h


species: Cr Pr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pr Tb


species: I Ni


species: I Rb


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: Cr Os


species: Cu Dy


species: Hg Ta

Wyckoff_letters_orig: b c


species: Os Zr

Wyckoff_letters: a d


species: Cd Os


species: Cd Ru

Wyckoff_letters: b c


species: C O

species_pp: C O


species: Cu Ir


species: Hg Os


species: La Ti


species: Al O

species_pp: Al O


species: Co Hf


species: Hf Re


species: Os Sc

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Os Y


species: Cd W


species: Nb Zr


species: Ti Zr


species: Co I

species_pp: Co I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I K

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i


species: I Li

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I Mg


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a


Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I Ni


species: I Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ag I

species_pp: Ag I


sg:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: b b b b b b b b b

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b b b b b b b

Wyckoff_letters: b b b


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ba I


species: Ir Pt

species_pp: Ir Pt


species: Ir Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mo Ru


species: Nb V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b


species: Ag Au

species_pp: Ag Au

crystal_class_orig: hexoctahedral


species: Os Tc


species: Co Re

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ir Y

crystal_class_orig: ditrigonal-scalahedral


species: Cd Ru

crystal_class_orig: diploidal

crystal_class: diploidal


species: Nb Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Ta


species: Co Ru

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hg Tc


species: Mn Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pd Re

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Zr


species: Mo Zr


species: Nb Ti


species: Ta V


species: La Ni


species: Nb Zn


species: Ni Re

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Rh Y


species: Cu Rh


species: Ag Pd


species: Cr Tc


species: Ag Cd

species_pp: Ag Cd


species: Pb S

crystal_class_orig: monoclinic-prismatic


species: Cd Ni


species: Fe Si


species: Ir Nb

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cd Nb


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Zn


species: Cr O


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Mn


species: Hg Nb

crystal_class_orig: dihexagonal-pyramidal


species: Ag La

species_pp: Ag La

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mg Te


species: Cr Li

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Nb Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe I


species: O Sc

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: Cu Hg


species: Au Os


species: Li Ti


species: Au Y


species: Cu O


species: Au Ti


species: I Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: a i


species: Mo Ti


species: O Pb


species: Hg Nb


species: Ca Fe


species: Cu Mg

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cu Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn O


species: Ho O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Ta Zn


species: Co Ru


species: Bi O


species: Sc Y


species: Ca Mg


species: O W

Wyckoff_letters_orig: c i i i

Wyckoff_letters: d i i i


species: I Tc


species: O Tc

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: b c d

Wyckoff_letters: b c d


species: Er O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn


species: Cs Pb


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: H Zr

Wyckoff_letters_orig: a a b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a b c


species: O V

crystal_class: ditrigonal-scalahedral


species: I V


species: Bi Ti


species: As Ce

species_pp: As Ce

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr K


species: N Rb

aflow_prototype_params_list_relax: a b/a c/a beta


species: Cr Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Os


species: Cu K

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


species: K O


species: Hf Mn


species: Ca Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Ni


species: Cu Ti


species: Co F

species_pp: Co F


species: Hg Ir

species_pp: Hg Ir


species: Cd Mn

crystal_class: hexoctahedral


species: Li O


species: I Nb


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Tc


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co O

species_pp: Co O

aflow_prototype_params_list_orig: a b/a c/a y2


species: Ca Mg


species: Ag W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Rh


species: C Fe

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cd F

species_pp: Cd F

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


species: Ir Rh


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: K Li


species: O Zr


species: F Sr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Mo Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Re


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I K


species: F Ti


species: Ca Tc


species: O Sn

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f


species: I Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc


species: Bi O


species: Fe Pt


species: O Sb

species_pp: O Sb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Nb Zn

Wyckoff_letters: e e


species: Ca Co


species: Co V

crystal_class_orig: ditrigonal-dipyramidal


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Fe


Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: F Mn

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: B W


species: Co O


species: Rh V


species: Ba Br

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O


species: Sc V

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: K Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Ni


species: B Os


species: Co K


species: S Sc


species: Cr O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: I V


species: Cr Ti


species: Ag La


species: Cd V


species: Pb Te

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu Mg


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Lu O

species_pp: Lu O


species: Co F


species: Er Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pr Re


species: Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

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


species: O Si

Wyckoff_letters_orig: f i l

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f i l


species: Fe I


species: O Rh


species: O Ta

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: K Pb


species: Mg Pb

crystal_class: ditrigonal-dipyramidal


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


crystal_class: dihexagonal-dipyramidal


species: Co Ni

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Cu


species: Co V

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cr Zn


species: Cu Mn


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Ti


species: V Zn


species: Cr Mn


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Mo


species: Fe Mn


species: Mn W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Zn


species: Ni Zn


species: Ti Zn

Wyckoff_letters: c c


species: Cl Pb


species: Hg K


species: Hg Te

species_pp: Hg Te


species: Hg Ho

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Yb

species_pp: Hg Yb


species: Ca Cl

Wyckoff_letters_orig: c c


species: O Pb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ca Cs


species: Ca Nb


species: Ca Rb


species: K Rb


species: Li Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Ta

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mg Rb

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Rb


species: F Pb


species: Ce O

species_pp: Ce O


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: O Sm

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


species: Er Tb


species: Ho Tb


species: Co Sm


species: Co Dy


species: Cr Sm

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Dy Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Eu V


species: Fe Pr


species: Fe Sm


species: Ho Zn


species: Ca Cl


species: Cr Nd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Dy Fe


species: Mn Pm


species: Mn Pr


species: Pr Sm


species: Sm Tb


species: Tb Ti


species: Yb Zn

species_pp: Yb Zn


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c a c a

Wyckoff_letters_orig: c c c c c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c a c a

Wyckoff_letters: c c c c c c c c c


species: Ga I

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ba I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: I Rb


species: I Sr

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cr La


species: Ni Ta


species: Os V


species: Tc Zn


species: Au Pt

species_pp: Au Pt


species: I Tc


species: Mo Ta


species: Ag Fe

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Re


species: Sc Y


species: Co Zr


species: Cu Pt

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu Sc


species: Cd Hg

species_pp: Cd Hg


species: Er Yb


species: Ir Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Ti


species: Nb Ni


species: Cr Re

Wyckoff_letters: a c


species: Nb Rh


species: Ni Y


species: O V

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i


species: Hg V


species: Ag Nb


species: Ca I

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: dihexagonal-pyramidal


species: Co I

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr I

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Fe I

crystal_class_orig: monoclinic-prismatic


species: I Li

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters: f e


species: I Mg


species: Be I

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


crystal_class_orig: ditrigonal-pyramidal

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

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

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

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


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: I In

Wyckoff_letters_orig: a d


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Fe Y


species: Cu I

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ag La

species_pp: Ag La


species: Rh V

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ir Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Hg


species: Mo Rh


species: Ir Ru

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Fe Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cr Ir


species: Cr Y


species: Ta Y


species: Hf Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ta Ti


species: W Zr


species: Hf Ta


species: Mo Nb


species: Mo Ta

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Nb W


species: Ta Zr

Wyckoff_letters: b l


species: Ba Sb


species: Mo Se

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i


species: C La

species_pp: C La


species: O Ti

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Ti


species: Ir Ni


species: Ag Mn


species: Au Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Ni

Wyckoff_letters: a c


species: Fe Si


species: Pt Rh


species: Cu Os


species: Se Sn

species_pp: Se Sn


species: Cu F


species: Mn O

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: I Tc

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Li V


species: Os Rh


species: Rh Ti

Wyckoff_letters_orig: a c


species: Co F

species_pp: Co F


species: Co Li


species: Fe Zn


species: O Sc

Wyckoff_letters_orig: a d


species: Cr O


species: Pb Se

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Sb Se

species_pp: Sb Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mn

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: Hf N

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g k k

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g k k


species: Au Tc


species: O Ru


species: Cu S


species: Nb W


Wyckoff_letters: a d


species: Au F

species_pp: Au F


species: Cd Ti


species: Mn Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: F V


species: Li O

Wyckoff_letters_orig: e e

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a


species: I Nb

crystal_class: ditrigonal-scalahedral


species: I Mg


species: Mn Pd


species: F Fe


species: Cu F

Wyckoff_letters: e e


species: Ru Si


species: Ni O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ir W

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O Ti


species: Ni Zn


species: Sn Sr

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

sg2:
Pnma #62
Pnma #62
P4/nmm #129


species: La O

species_pp: La O

crystal_class: hexoctahedral


species: Ca Li

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


Wyckoff_letters_orig: i i a j j j j j j j j j j i i i i i j j j j j j j j j j j j g i i i i i j j g

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


species: Mg O


species: Re Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Zn

species_pp: F Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Au Y


species: I Nb

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: F Ti


species: Ca Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Zr

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ag Ru


species: Cr V

Wyckoff_letters_orig: a d


species: Pt Tc


species: Cu Li


species: Cd F

species_pp: Cd F


species: Ag Cu


species: Hg Te

species_pp: Hg Te

crystal_class: trigonal-trapezoidal


species: Cr K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Tb Tl

crystal_class_orig: hexoctahedral


species: I Ta

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cd Cs

sg:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: F Ga

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu O

Wyckoff_letters_orig: c c


species: Tc Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F K


Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b b


species: Li Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rh Sc

crystal_class_orig: ditrigonal-scalahedral


species: Cu Pt

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: F Zn

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Os Pt

crystal_class: dihexagonal-dipyramidal


species: C Re


species: K N

Wyckoff_letters_orig: a a


species: Ca Cr


species: Fe Ti

Wyckoff_letters_orig: e e


species: Li Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Os


species: F Mn


species: Ru Y


species: Hf O


species: Li Ni

Wyckoff_letters: a d


species: O Zr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O

species_pp: Cd O


species: Mg O


species: As K

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr K


species: Au Ti


species: H Sc


species: I Ti

crystal_class: dihexagonal-pyramidal


species: O W

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a b f f

Wyckoff_letters: e f f

Wyckoff_letters: a b f f


species: O Pd


species: Fe O

Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: Br Cd

species_pp: Br Cd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Hg Ta


species: Pb S


species: Hf O

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Cr O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a b b


sg2:
Immm #71
Immm #71
Immm #71


species: Hg Ir

species_pp: Hg Ir

crystal_class: tetrahedral


species: Li O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: O Os

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Nb Sb

crystal_class_orig: dihexagonal-dipyramidal


species: F V

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: I Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Nb


species: Se Sn

crystal_class_orig: tetrahedral


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Re

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g g g

Wyckoff_letters: e f g g g


species: S Sn

species_pp: S Sn

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters: c c c


species: F Mg

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal


species: Ca Cu


species: Li Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ge H

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cu K

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Li


species: Al Ba


species: Fe I

crystal_class: triclinic-pinacoidal

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

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


species: Ge Te


species: Mn Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Pd


species: Os Y


species: Cu Ti

Wyckoff_letters_orig: c e

crystal_class: hexoctahedral


species: Li Mg


species: I V


species: Li Ti

crystal_class: ditrigonal-scalahedral


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr K


species: O W

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: O Zn

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters: c e


species: Ca Ti


species: I Mn


species: Fe O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Ho Si

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Ca Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ce Se

species_pp: Ce Se


species: Hg Yb

species_pp: Hg Yb


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Al O

species_pp: Al O


species: Cd K

Wyckoff_letters_orig: k k

Wyckoff_letters_orig: a e

Wyckoff_letters: k k

Wyckoff_letters: a e


species: Co Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge S


species: Pb Rb


species: Ca Pb


species: O Rb


species: O Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr Ni


species: Co Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Cu Fe

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Ni

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mo Zn


species: Ni V


species: Co Fe

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Co V


species: Cr Ti


species: Cu W


species: Cu Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Mn


species: Mn W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn Zn


species: Mo Ti


species: Ti Zn


species: Cl Pb


species: Hg In


species: Hg K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Mg

crystal_class: ditetragonal-dipyramidal


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg S

species_pp: Hg S

crystal_class: dihexagonal-dipyramidal


species: Hg Se

species_pp: Hg Se


species: Ca Nb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: K Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Ta


species: Cl K


species: F Pb

sg:
Pbca #61
Pbca #61
Immm #71

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al O

Wyckoff_letters_orig: e e e

Wyckoff_letters: g c


species: O Pr

species_pp: O Pr

crystal_class_orig: trigonal-trapezoidal


species: Ce Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Tb


species: Cl Nb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ce Cu


species: Dy Mn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Dy V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Er Eu


species: Er Fe


species: I Pb


species: Ba I


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Ta


species: Cu Pt

crystal_class_orig: hexoctahedral


species: Hg Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir Nb


species: Ir Ni

crystal_class_orig: ditrigonal-scalahedral


species: Mo Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Re Zr


species: Ag Cu


species: Cu Ta


species: Ag Sc


species: Cd Ru


species: Cd Sc


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Ta


species: Ag Rh

sg:
Pnnm #58
Immm #71
Immm #71


species: Cd Ir

species_pp: Cd Ir


species: Hf La


species: Ir Pd

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: La Pd


species: Pt W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd Hf


species: La Tc


species: Ag Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ce Tb


species: Ru Zr


species: Ca I

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i i

Wyckoff_letters: c i


crystal_class_orig: rhombohedral


species: Fe I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Li

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters: c f


species: I Mg


sg:
Immm #71
Immm #71
Immm #71


species: I Rb


species: I Sn

species_pp: I Sn


species: Ba I


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Fe O


species: Ni Zr

crystal_class: tetrahedral


species: Cu I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: I Zn

species_pp: I Zn


species: I Sr


species: Cl Nb


species: Cr Hf


species: Dy Fe


species: Fe Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Nb

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ir Sc


species: Cd Cs


species: Dy Eu


species: Au Ti


species: Hg Ni


species: Pd Pt


species: Hf La


species: Ag Co

species_pp: Ag Co


species: Hg La

species_pp: Hg La


species: Ir Mn

crystal_class_orig: dihexagonal-dipyramidal


species: Nb Ni


species: Hf Ti

Wyckoff_letters: a c


species: Mo Ta


species: Ta Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta V


species: Mo Nb


species: Mo Zr

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Au Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pd Te


species: Se Zn

species_pp: Se Zn

crystal_class: dihexagonal-pyramidal


species: Ag Y


species: Co La

species_pp: Co La


species: Sc Ti


species: Ag Pt

species_pp: Ag Pt


species: Cd Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Os W

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Ni Si


species: Hf Ru


species: Hf Zn


species: Co O

sg:
Pbca #61
Pbca #61
Pbca #61


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Nb O

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ge O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: O Sr

crystal_class: ditrigonal-scalahedral


species: Ag Re

crystal_class: hexoctahedral


species: Li V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Bi Ti


species: Pr S

species_pp: Pr S


species: Cu O


species: Al Mg


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: P S

species_pp: P S

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Os


species: Os Ta


species: Ca Zn


species: K Li


species: Cu F

sg2:
Pmna #53
Pmmm #47
P4/mmm #123

Wyckoff_letters_orig: e h

Wyckoff_letters: c b


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr O

crystal_class_orig: orthorhombic-pyramidal


species: Co O

species_pp: Co O


species: Cd Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Li

crystal_class: rhombohedral


species: O Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ni O

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


crystal_class_orig: tetrahedral


species: Br Ta

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo O

crystal_class: ditetragonal-dipyramidal


species: Cu O

sg:
Pc #7
Pmma #51
Pmma #51

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: d a k

Wyckoff_letters: e f


species: Cr K


crystal_class: dihexagonal-dipyramidal


species: Al Sr

Wyckoff_letters_orig: a b

Wyckoff_letters: c a


species: O W

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: O Tb

sg:
Cmm2 #35
Cmmm #65
Cmmm #65

sg2:
Cmm2 #35
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a c g q

Wyckoff_letters: i h

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Ir O

species_pp: Ir O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c d


species: Rh Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mo Tc


species: O Sr


species: Cu Li

crystal_class_orig: ditetragonal-dipyramidal


species: Eu O

species_pp: Eu O


species: Cr Fe

crystal_class_orig: hexoctahedral


species: Cd Ni


species: Ca F

Wyckoff_letters: c c


species: Cr Li

sg:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c d


species: K S


species: Fe Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F Mn


species: Fe W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K Li


species: Lu O

species_pp: Lu O

crystal_class_orig: ditrigonal-scalahedral


species: O V


species: Cu Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Ni

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Tl

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: O Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Cr


species: Li O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Li Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ag Bi


species: Cd Cs

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: O W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co O


species: Fe K


species: I O

species_pp: I O

Wyckoff_letters_orig: c c


species: K O

Wyckoff_letters_orig: n m


species: Co Zr

Wyckoff_letters_orig: a d


species: F Sr


species: Ca K


species: B Ce

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: O Re

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Fe V


species: Ge O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Co K

crystal_class_orig: dihexagonal-dipyramidal


species: Fe I


species: Ca Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pt

species_pp: O Pt

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cd Cs


species: F Zn

species_pp: F Zn


species: Mo S


species: Sn Te

species_pp: Sn Te


species: Fe O

Wyckoff_letters: e e e


species: Cr O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn


species: Ag Bi

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: O Tb


Wyckoff_letters_orig: a e

Wyckoff_letters: a b

Wyckoff_letters: a e


species: O Sr


species: O Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pt Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: F Sr

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I V


species: As B

crystal_class_orig: diploidal

crystal_class: diploidal


species: Mn Sc


species: Ag Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O V


species: O Si

species_pp: O Si

Wyckoff_letters: a d


species: Ca Tc


species: F Fe

crystal_class_orig: monoclinic-prismatic


species: Ge O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Tc Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Cu Zn


species: In Th


species: N Re

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b


species: Cr Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Rh

crystal_class_orig: orthorhombic-pyramidal

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: O Sr


species: Pd Re

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: F V


species: Hf O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pd

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Tc


species: Ru Zr


species: Ni Ti

Wyckoff_letters_orig: b c


species: Hg O

species_pp: Hg O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Nb O

Wyckoff_letters_orig: a a


species: Mn O

Wyckoff_letters_orig: a c c c

Wyckoff_letters: a c c c


species: Ca K


species: F Sr


species: Li Zn


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: a d


species: O Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters: a b


Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Pb Rb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: V W

Wyckoff_letters: a d


species: Co W


species: Cr Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Mo

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu Ti


species: Fe Mo


species: Mn Ti


species: Mo V


species: Ti V


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: V Zn


species: W Zn


species: Cr Cu


species: Cr Fe


species: Cr Ti


species: Cr V

Wyckoff_letters_orig: c d


species: Cu Fe


species: Fe Mn


species: Mn Mo

Wyckoff_letters_orig: e e


species: Mo Ti


species: Ni W


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ti Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hg Yb

species_pp: Hg Yb


species: Hg K


species: Hg Mg


species: Hg Rb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cl Pb

Wyckoff_letters: a a


species: Li Ta

Wyckoff_letters: e e


species: Mg Rb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Pb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ba Hg

Wyckoff_letters_orig: a g i j

Wyckoff_letters: a g i j


species: Hg Li

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

Wyckoff_letters: c e


species: O Pm

species_pp: O Pm


species: Cu Ni


species: Cu Zn

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Dy Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Sm

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: a a a a c b d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: d d d d d d

Wyckoff_letters: a a a a b c d d


species: Fe Sm


species: Mn Tb


species: Er Ni


species: Cr Er


species: Eu Pm

species_pp: Eu Pm


species: Sm Yb


species: Sm Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Yb


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd Nb


species: Ce Zn

species_pp: Ce Zn


species: Fe Pt


species: Hf Ni

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Nb Zr


species: Ir Mn


species: Ta V


species: Cu Tc


species: V Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Ta

Wyckoff_letters: c g


species: Rh Zn


species: Ta W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ag Zn

species_pp: Ag Zn


species: Re W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Al O

species_pp: Al O

crystal_class: ditrigonal-scalahedral


species: Ag Mn


species: Ir Rh


species: O Rb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a


species: Ru W


species: Mg O

crystal_class: hexoctahedral


species: Ag V

Wyckoff_letters_orig: c g


species: Eu Ti


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters: a c


species: Co Ru


species: Re Ti


species: Hg Nb

sg2:
Immm #71
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Ta V

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Co I

species_pp: Co I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cr I


species: I K

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: I Li

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c

crystal_class: orthorhombic-sphenoidal


species: I Rb

crystal_class_orig: ditetragonal-dipyramidal


species: I Zr

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I In

Wyckoff_letters_orig: a d


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


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: I Pb

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd Rh

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: La Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo Os

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: I Zn

species_pp: I Zn


species: Ga I


species: I Sr


species: Hg Sc

crystal_class_orig: ditrigonal-scalahedral


species: Cr Pr


species: La Ni

crystal_class_orig: hexoctahedral


species: Os Ti

Wyckoff_letters: b f


species: Sc Y

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Cl

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal


species: Co Sc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe Hg


species: Mo Pt


species: Ho Nd


species: Ir V


species: Mn Re


species: Pt Ti


species: Mo Nb

Wyckoff_letters_orig: a b


species: Ni Rh

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pd Zr

Wyckoff_letters: a b


species: Re Ru


species: Ir Ru


species: Hf Ta


species: Hf V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Zr


species: Ta Zr


species: Os Pt


species: Pd Re

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ru Zr

Wyckoff_letters_orig: a d


species: Fe Zr


species: Re Sc


species: Ag Ni


species: Fe Rh


species: Hg La

species_pp: Hg La


species: Pd Se

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Cd Pd

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Co O

species_pp: Co O


species: Ca Zn


species: Os Ta


species: Ag Bi


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Li Mn


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Sb Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Ti


species: Hg Ni


species: Cd Cr


species: Fe Hg


species: O Ru

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Fe


species: I Tc


species: Al Pr

species_pp: Al Pr

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cr K


species: Lu Ni


species: Eu O

species_pp: Eu O


species: B V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: Cr Li

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Rh


species: Co Mg


species: O Zr

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Ho Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co V


species: F Ni


species: Ca Ti

crystal_class: tetragonal-dipyramidal


species: H 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 a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a a

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

crystal_class: triclinic-pedial

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


species: O V

Wyckoff_letters_orig: c c c c c c c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c c c c c c

Wyckoff_letters: c c c c


species: Ir Ti


species: F V

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: I Li


species: Au Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Al Dy

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c c

Wyckoff_letters: d g f


species: Fe S

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: diploidal


species: Mn Pd


species: Cu O


species: Li O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pt Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ir Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Mn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca Zn


species: O Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Hf Nb


species: As Rb

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cs F


species: Hg Mo


species: O V


species: O P

species_pp: O P

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Ca V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cd Nb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Li Ni

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Au F

species_pp: Au F

Wyckoff_letters: c c


species: Au Gd

species_pp: Au Gd

Wyckoff_letters_orig: a e


species: Cr O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

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

crystal_class: monoclinic-domatic

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


species: Au Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Fe

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Mg Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: g a


species: K Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Pd

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Pd

Wyckoff_letters_orig: e e


species: Sc Tc


species: Mg O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: C Zr

crystal_class: ditrigonal-scalahedral


species: Ca K


species: Cr V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Sc W


species: Cd Pd


species: Ir N

species_pp: Ir N


species: Li Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: C Ge

crystal_class: hexoctahedral


species: Fe O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ca Ni


species: O V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca I


species: Ni W


species: Tc V

crystal_class: orthorhombic-bipyramidal


species: Cr F

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


species: Ca Cr

crystal_class: ditetragonal-dipyramidal


crystal_class_orig: tetragonal-dipyramidal


species: Ca O

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Li

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: O Zn

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Li O

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: F Nb

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Cd Ni


species: Pd Ti

crystal_class_orig: ditrigonal-scalahedral


species: Br Ta

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Bi Cs

crystal_class_orig: hexoctahedral


species: Co Mn


species: O V

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a g g g g g g

Wyckoff_letters_orig: b c g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a g g g g g g

Wyckoff_letters: b c g g


species: O Tc


Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal


species: Fe O


species: Mo O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Hg

species_pp: F Hg

Wyckoff_letters: c c


species: Fe Rh

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sn

Wyckoff_letters_orig: c e j

Wyckoff_letters: a c


species: Pb S


species: Ir Zr


species: Ca Cr

crystal_class_orig: ditrigonal-dipyramidal


species: K Li


species: Mg O

crystal_class_orig: hexagonal-trapezoidal


species: Li Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Ti

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: Hf Sn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Cu

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cu Mg


species: O Sr

crystal_class_orig: trigonal-trapezoidal


species: Mo N

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Ca Co

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb O

crystal_class_orig: diploidal


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni V

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Cl Xe

species_pp: Cl Xe

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Al Mn

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: N Pd


species: Os Pd

sg2:
Pnma #62
Pnma #62
Pnma #62


species: O Ti


species: Ni Zn


species: O V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f

Wyckoff_letters: c f


species: Lu O

species_pp: Lu O


species: Hf O


species: Br Cr


species: Ca Zn

Wyckoff_letters_orig: a c


species: I Ni


Wyckoff_letters_orig: i i a j j j j j j j j j j j j g j j j j j j j j j j i i i i i j g j i i i i i

Wyckoff_letters_orig: j j g j j j j j j j j j j j j j j j i i i i i j g j j j j j j i i i i i b i i


species: Li Ti


species: O W

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ca Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Re

Wyckoff_letters: d d


species: I Ti


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: La W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Li Tc


species: Ca O

Wyckoff_letters_orig: e e e

Wyckoff_letters: c d


species: Ca Pb


species: Mg Pb


species: Co Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Co Cr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Mo


species: Co W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Mn


species: Fe W

Wyckoff_letters_orig: b e


species: Fe Zn


species: Mn Ti


species: Ni Zn


species: Ti W


species: Co Ti

sg:
Pnnm #58
Immm #71
Immm #71


species: Cr Fe

Wyckoff_letters: a c


species: Cr V


species: Cr Zn


species: Cu Ti


species: Cu W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Ni


species: Fe Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn V


species: Ni Ti

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ni V


species: F Ta

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Pb


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cl Ta

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Hg Li


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

crystal_class_orig: hexoctahedral


species: K Ta

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K Rb


Wyckoff_letters_orig: a c


species: Li Nb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pb Ta


species: Ca Cl


species: Cl Nb


Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d d


Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca F


species: Ho O

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Dy Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Er Ti


species: Ce Cr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Er Pr


species: Cr Ni

Wyckoff_letters_orig: a h


species: Er V


species: V Yb


species: Co Er


species: Co Pm

species_pp: Co Pm


species: Cu Tb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Dy Nd

Wyckoff_letters: a c


species: Ho Sm

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Pr


species: Mn Tb

Wyckoff_letters: a h


species: Nd Ti


species: Sm Ti


species: Ge I

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Au Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Rh


species: La Ta


species: Sc Tc

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cu Nd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Ir


species: Hg Y


species: Cd Co

species_pp: Cd Co

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Cd Cr

Wyckoff_letters: c i


species: Cr Pt


species: Cu Os

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Ti

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Se Sm

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ag Mo

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Os


species: Mn Nb


species: Ni Pt

crystal_class: ditrigonal-scalahedral


species: Os Pt


species: Ru Zn


species: Cd V

crystal_class: hexoctahedral


species: La Y

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ag Ta

crystal_class: ditetragonal-dipyramidal


species: Cr Nb


species: Cu La


species: Re Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Cu


species: Hg Pd

crystal_class: orthorhombic-bipyramidal


species: Au Re

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca I

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Co I

species_pp: Co I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr I


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: I K

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: I Mg


crystal_class_orig: monoclinic-prismatic


species: Be I

Wyckoff_letters: a c


species: I In

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: I Pb


crystal_class_orig: tetragonal-trapezoidal


species: Cu Re

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu Tc


species: Mn Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: I Zn

species_pp: I Zn

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Sr

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cd Pd

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Os


species: Ag Mn

crystal_class: tetrahedral


species: Cd Tc


species: Hg Zn

species_pp: Hg Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Mn Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Rh V


species: Fe Os


species: Ir Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ru


species: Cr Nb


species: Os Zr

crystal_class: monoclinic-prismatic


species: Cd Cu

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ag Ni


Wyckoff_letters_orig: a c


species: Cu Hf


species: Sc Zr


species: Cr Yb


species: Hf W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ta Ti


species: Hf Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V Zr


species: W Zr


species: Cd Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Pd

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ba Si


species: Cl Sc

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: a i i i


species: Cr Pd

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hf Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hf V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mo O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: La Os


species: O Pr

species_pp: O Pr

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


species: Co Sc


species: Ir V


species: Mo Pt


species: Ni Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O

species_pp: Cd O


species: Li V

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca Mg

Wyckoff_letters: a c


species: I K


species: O Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Y Zr


species: O Tc


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

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

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

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


species: Cr Mg


species: Co Ru

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: O V

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Fe Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ca I


species: Cd Mn


species: Ge O


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co O

species_pp: Co O


species: Au Ta


species: Hg Tc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Se

species_pp: Cl Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Mg


species: I Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Cr F


species: Ca K

Wyckoff_letters_orig: a c


species: K O


species: Cr V

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Co Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a i