species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Rh Sc

Egap_DOS_type: metal

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: tetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: Pb S

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_family: cubic

crystal_system: cubic

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Sc W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

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: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: b l

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

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: F V

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: trigonal-trapezoidal

point_group_structure_orig: dihedral

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: l l l

Wyckoff_letters_orig: a c g i

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_structure: dihedral

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: l l l

Wyckoff_letters: a c g i


Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca Tc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Li Zn

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a


species: Fe O

crystal_class_orig: ditetragonal-dipyramidal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

aflow_prototype_params_list_orig: a c/a


species: F Ti

sg:
Ama2 #40
Cccm #66
Cccm #66

sg2:
Ama2 #40
Cccm #66
Cccm #66

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: 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

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: b c

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c g


species: Al Cu

Wyckoff_letters: b c


species: Cu F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Wyckoff_letters: b a a a a

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


Wyckoff_letters_orig: c g


species: O Pb

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Mn O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e

Wyckoff_letters: e e e

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m m


species: Re Ta

aflow_prototype_params_list_relax: a c/a z2


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: K Mg

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Ca O


species: Cu Ta

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


crystal_class: ditetragonal-dipyramidal


species: Fe Y


species: Li O

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Cd O

species_pp: Cd O

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: O Tc

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Co Ni


species: O Zn

species_pp: O Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: Hf Zr

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Co O

species_pp: Co O


species: O Sr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: Fe K


species: Cd Nb

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


species: Se Zn

species_pp: Se Zn

crystal_class: dihexagonal-pyramidal


species: Bi O

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Er Pd

Wyckoff_letters_orig: a a b b b b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a b b b b b

Wyckoff_letters: a b b


species: I Ta


species: Ca Sb

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries: m m


species: Fe V

Wyckoff_letters_orig: a l

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Wyckoff_letters: a l


species: Cs Pb


species: Li Ni


species: Mo O

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Mg Ni

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: F Mg

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Nb

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

crystal_class: rhombohedral

point_group_structure: cyclic


species: Mg O


species: O Pt

species_pp: O Pt

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Fe Mg


species: O Sc

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: Bi In

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni W


species: Cd O

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Au Zr


species: Pb Se


species: Cd F

species_pp: Cd F

Wyckoff_letters: c c


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a e

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: a e


species: Ru Y


species: F Ti

crystal_class_orig: dihexagonal-pyramidal


species: Cd Sc


species: Hf O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ce Pd


species: O Sr


species: Nb O

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: Hg Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Rh


species: Cu O


species: O Sc


species: Au Rh


species: I Nb


species: O Zr


species: Cr F

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Fe W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O V


species: Cd V


species: Mn Y


species: Ir W


species: Ca K


species: Si Sr


species: O Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Ga

Wyckoff_letters_orig: d e


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Fe O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Fe Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: B Re


species: Bi Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: F Ni

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Li O


species: Co F


species: Br Ti


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c e f f f

Wyckoff_letters: c f

Wyckoff_letters: c e f f f


species: Cd W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag Sc


species: Cd F

crystal_class_orig: tetragonal-trapezoidal


species: Ag Bi

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ta

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sn


species: Ba Te


species: Cr Mg


species: I Ni


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Er Ge


species: K Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Si

species_pp: Pt Si

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: a c g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g g g g

Wyckoff_letters: a c g g


species: Lu Sn

species_pp: Lu Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Hf Ti


species: Ge S

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Eu Pd


species: Co Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Mn

Wyckoff_letters: c c


species: Cu Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn Mo


species: Co Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co W


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

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

aflow_prototype_params_list_orig: a b/a c/a x2


species: Cr Zn


species: Cu Ti

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe W


species: Mn W

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mo Ti

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


species: Ni Zn


species: W Zn


species: Co Mo


species: Co V


species: Cu Ni


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cu V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Fe Ni


species: Mn Zn

point_group_structure_orig: symmetric

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo Ni

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mo W


species: V W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: F Ta


species: Cs Hg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b d i i

Wyckoff_letters: a h

Wyckoff_letters: b d i i


species: Hg Ho

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg In


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Cl

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Ca Ta


species: K Ta

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Pb

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a b c

Wyckoff_site_symmetries_orig: m m 1

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a b c

Wyckoff_site_symmetries: m m 1


species: Eu O

species_pp: Eu O


species: Ho Ni


species: Ni Sm


species: Pm Zn

species_pp: Pm Zn


species: Co Er

crystal_class: ditetragonal-dipyramidal


species: Fe Sm


species: Mo Zn

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ce Eu

species_pp: Ce Eu


species: Cu Sm

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Sm V


species: Ba I


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cd Ir

species_pp: Cd Ir


species: Er Tl


species: Ir Mo


species: Ir Zn

species_pp: Ir Zn


species: Ni Pt


species: Ta V


species: Co Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Ru

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cl Nb

Egap_DOS_type: insulator

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd V

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters: c g


species: Nb Rh

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Pd Y


species: Co Ru


species: La V


species: Cd Hf


species: Co Ir

species_pp: Co Ir


species: Hg Nb


species: Co Tc


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i


species: Cr I


Egap_DOS_type: half-metal


crystal_class: monoclinic-prismatic

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

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


species: Fe I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I K


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: I Li

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: I Mg


crystal_class_orig: hexagonal-trapezoidal


species: I Ni

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: I Si

species_pp: I Si

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Ba I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c c


species: Hf Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mn Ru

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: Nb Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: Al I

species_pp: Al I

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: Ga I

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Au Nb


species: Cr Zr


species: Hg La

species_pp: Hg La


species: Ag La

species_pp: Ag La


species: Cd Cr


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Sc


species: O Sr

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

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: h g o

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: g h o


species: Pd Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Au La

species_pp: Au La


species: S Sr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b c

Wyckoff_letters: a c

Wyckoff_letters: b c


species: Ag Nb


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ag V


species: Fe La


species: Cd Ti


species: Co Ru

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Y Zn


species: Cd Ta


species: Ta Ti


species: Hf Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au V


species: Hf Zn


species: Au Tc


species: Sc Zr


species: Nd V


species: Ru Ta


species: F Ti

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: Ca K

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cr V


species: I Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Tc


species: Pt W


species: Li Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O

species_pp: Co O

Wyckoff_letters: b a


species: Rh Ru


species: Fe K


species: O Yb

species_pp: O Yb

crystal_class: dihexagonal-pyramidal


species: Pd Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b f

crystal_class: rhombohedral

Wyckoff_letters: a b f


species: O Sr

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63


species: Ca F

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Ti


species: Nb Sc


species: F V

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b c c c c


species: I Mn

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Tc

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Nb O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e


species: Y Zn

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Rh Zn


species: Li Mn


species: La Sb

species_pp: La Sb


species: F Mn

Wyckoff_letters_orig: a a


species: C Pd


Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ca Tc


species: Ca K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a


species: O V


species: I Mg


species: Ni W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru Zn


species: Ti Zr

crystal_class_orig: orthorhombic-bipyramidal


species: Cu K


species: Pt Si

species_pp: Pt Si

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

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


species: Nb Ru

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Li O


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co H

species_pp: Co H


species: F Mg

Wyckoff_letters_orig: e e


species: Hf La


species: Cu O


species: F V

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Os Re


species: Ca Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mn


species: Li Tc

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ca Mg


species: O Sc

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: O Ti

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f f f


species: Ge Pr


species: Li Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Os


species: Ru V

crystal_class: orthorhombic-bipyramidal


species: Re Ta

crystal_class_orig: hexoctahedral


species: Ag F

species_pp: Ag F

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Al Si

species_pp: Al Si


species: Co Mg


species: Ca Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Se

crystal_class_orig: dihexagonal-pyramidal


species: Co O

crystal_class_orig: tetrahedral


species: Fe K


species: Fe O

crystal_class_orig: ditrigonal-scalahedral


species: Hf Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h


species: K Li

crystal_class_orig: ditetragonal-dipyramidal


species: Co Nb


species: P Re

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

Wyckoff_letters_orig: i i i i

Wyckoff_letters: c f f


species: Fe Ti


species: Ca Cr


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: Ca Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn

species_pp: O Sn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

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

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

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

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


species: Mn O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g

Wyckoff_letters: a h


species: O Zr

crystal_class_orig: monoclinic-prismatic


species: Ho Pb


species: As Sr

Wyckoff_letters_orig: e g h h i

Wyckoff_letters_orig: f g g h i i

Wyckoff_letters: e g h h i

Wyckoff_letters: f g g h i i


species: Cu Tc


species: Ca Ti


Wyckoff_letters_orig: e f


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Ge Li

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

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


species: F Mn

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ca Cu

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e

aflow_prototype_params_list_orig: a b/a c/a


species: Li Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Pt Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Zn

species_pp: I Zn


species: Co K


species: W Zn


species: F Mg


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Pd

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Dy Ir


species: Fe Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: K Li


species: Li V


species: Ir O

species_pp: Ir O

sg:
Pnma #62
Cmcm #63
Cmcm #63


species: Cu Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ti


species: Mg O


species: Hf O

Wyckoff_letters: a a


species: Li Tc

Wyckoff_letters_orig: a h

crystal_class: ditrigonal-scalahedral


species: Au Ru


species: O Yb


species: K O


species: Cr O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: F Ni

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: Ca O


species: O V

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Mo Pd

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Bi Ti


species: O Sn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Re Zr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Pt Zr


species: Ca Cu

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Fe I


species: Mg O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

Wyckoff_letters: a h j

Wyckoff_letters: b h i


species: Mn O


species: Li Mg

crystal_class: tetrahedral


species: K Li

crystal_class: ditetragonal-dipyramidal


species: F Mn

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f f f

Wyckoff_letters: a f


species: Al Pt

species_pp: Al Pt


species: Co O

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: e e

Wyckoff_letters: c c c d e


species: K O


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters_orig: a h


species: Li Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Rh Sc


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b b b

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

Wyckoff_letters: c c c c b b b


species: Li P

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Li Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr F


species: Bi O

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c


species: Cr O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: N W


Wyckoff_letters: a h


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal


species: C Sr


species: Ca Cr


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe O

crystal_class_orig: trigonal-trapezoidal


species: Cd O

Wyckoff_letters_orig: a e


species: Nb Ti


species: O Sr

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: c a b

Wyckoff_letters: a c b


species: O Os

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ca Li


species: I Li

crystal_class_orig: hexoctahedral


species: F Zn

species_pp: F Zn

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


Wyckoff_letters_orig: d i


species: Li Pb


species: Pb Rb


species: O Rb

Wyckoff_letters: c c


species: Co Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Zn


species: Cr Mn


species: Cr Ni

Wyckoff_letters_orig: a h


species: Fe V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe W

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mo Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni V


species: Ni W

crystal_class_orig: ditrigonal-scalahedral


species: W Zn


species: Co Ti

crystal_class_orig: tetrahedral


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Mn


species: Fe Ni

crystal_class_orig: dihexagonal-dipyramidal


species: Mn Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V Zn

Wyckoff_letters_orig: c d


species: O Pb

crystal_class_orig: monoclinic-prismatic


species: Ca Hg

Wyckoff_letters: c d


species: Hg K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Rb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Yb

species_pp: Hg Yb


species: Cl Cs


species: Cl Nb

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: K Nb


species: Li Rb

Wyckoff_letters: c e d


species: Mg Ta


species: Pb Ta

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: F Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: e c


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Ce Tb


species: Er Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ho Zn


species: Cl Pb


species: Co Ho


species: Ni Pr


species: Ce Yb

species_pp: Ce Yb


species: Cr Sm

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Dy Sm


species: Er Tb


species: Er V


species: Gd Nd

species_pp: Gd Nd


species: Ag I

species_pp: Ag I

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


crystal_class_orig: dihexagonal-pyramidal


species: Co I

species_pp: Co I


species: I In


species: F Te

species_pp: F Te

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Mn Rh

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Os Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Os Zr


species: La Y


species: Ag Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cd Sc


species: Fe Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Sc


species: Ir Pt

species_pp: Ir Pt


species: Hg Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: a h


species: Ru V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: La Sc


species: La Re


species: Re W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Y Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni Zr


species: Ta V


species: Au W


species: Ir V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Zn


species: Mn Ta

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Fe I

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: I K

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


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: b a


species: I Li


species: I Mg


aflow_prototype_params_list_orig: a b/a c/a beta y2


species: I Ni


species: Be I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ag I

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Cd I

species_pp: Cd I

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

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

crystal_class: ditrigonal-pyramidal

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


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Mn Zr

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Cu I

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: Cr Zr

Wyckoff_letters_orig: a c


species: La Ru

crystal_class: hexoctahedral


species: Pd Tc


species: Ni Pt


species: Pt Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Tc Y


species: Tc V


species: Ir Sc

crystal_class_orig: ditrigonal-dipyramidal


species: Pd Y


species: Au Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ru Tc


species: Ta W


species: Cd Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pd Ti


species: Au Cr

Wyckoff_letters: a c


species: Hf Ti


species: Mo Ta

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hf Nb


species: W Zr


species: Ag Mn

crystal_class: dihexagonal-dipyramidal


species: Cd Fe

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ni Ta


species: Ba Pd


species: Fe Os


species: Mn Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pt Ti


species: La Re


species: Sr Zn


species: Nb O


species: Gd O

species_pp: Gd O


species: Ir Ta

Wyckoff_letters: c c


species: I Mn

Wyckoff_letters_orig: a b


species: Re Rh


species: Br Cu


species: Mo Pt


species: K O


species: I Tc


species: Cu Ge

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Ni O

crystal_class_orig: tetragonal-trapezoidal


species: O V

Wyckoff_letters_orig: b g


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i m m m m n n n o o o o o o o o o o

Wyckoff_letters_orig: o o o o o o o

Wyckoff_letters: i m m m m n n n o o o o o o o o o o

Wyckoff_letters: o o o o o o o


species: Li Tc


species: O Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Br Ta

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: C O

species_pp: C O

sg:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: F Mn

sg:
Ama2 #40
Cccm #66
Cccm #66

sg2:
Ama2 #40
Cccm #66
Cccm #66

Wyckoff_letters_orig: b c

Wyckoff_letters: c g


species: O W

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mo O

crystal_class: ditetragonal-dipyramidal


species: Br H

species_pp: Br H


species: Ag Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Cr F

Wyckoff_letters_orig: a a


species: Pt Re


species: La Zr


species: Mn O

crystal_class_orig: hexoctahedral


species: Ca K

Wyckoff_letters: b c


species: Cr O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Os


species: Sc Ta


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mg Si

Wyckoff_letters_orig: a h


species: Ge S

crystal_class_orig: orthorhombic-bipyramidal


species: Li V

crystal_class_orig: ditrigonal-scalahedral


species: Ta W


species: Dy Pd


Wyckoff_letters: a b


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Cu Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Ru

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: As Hf

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


Wyckoff_letters: a h


species: Ca Tc

Wyckoff_letters: a c


species: F Ni

sg:
Pmna #53
Pmma #51
Pmma #51

sg2:
Pmna #53
Pmma #51
Pmma #51

Wyckoff_letters_orig: e h


species: O V

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Ca Co

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Te Zn

species_pp: Te Zn


species: F Fe

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ag Bi

crystal_class_orig: ditetragonal-dipyramidal


species: H Mg

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Nb


species: Li Mg


species: F Ti


species: O Sr


Wyckoff_letters_orig: c d


species: Fe O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Co F

species_pp: Co F


species: Ni O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O Pd

Wyckoff_letters_orig: a a


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: a h


species: O W

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: Hg Zn

species_pp: Hg Zn


species: Hf Ti


species: Co Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: I N

species_pp: I N

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Nb Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe K

crystal_class_orig: diploidal

crystal_class: diploidal


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: c i i i


species: I V


species: O Sc


species: O V


species: F K


species: La Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe N


species: Mg Si

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: Cr O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sn

species_pp: O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: 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


species: O Zn


species: K Li

Wyckoff_letters: c d e


species: Nb O


crystal_class_orig: orthorhombic-pyramidal


species: Sc Zr


species: Cr Ru


species: S Zn

species_pp: S Zn

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Se Sm


species: F Ni

Wyckoff_letters_orig: d e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O


species: Pb Se


species: Hg Sr

Wyckoff_letters: a h


species: Ca Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Sc

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

sg2:
Pnnm #58
Pnnm #58
Immm #71


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b


species: Ge Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Si Ta


species: V W


species: Ti W


species: As Si

species_pp: As Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Bi Cs


species: Ti Zn


species: Cu F


species: Pt Sc

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Br Li


species: Cd Zn

species_pp: Cd Zn


species: I V

Wyckoff_letters_orig: e e e


species: Au Ho


species: Nb Pt


species: O Si

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Cr O

Wyckoff_letters: e e e


species: Cr Li

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ru Ti


species: Ca O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m


species: Ta Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Y Zn


species: Li O


species: H Ti


species: Te Zn

crystal_class_orig: ditrigonal-dipyramidal


species: Ag Hf

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K O


species: Cr F

Wyckoff_letters: e b


species: N Pd

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Sn Tb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb O


species: Li Tc


species: Bi O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: Fe W


species: O Tb

Wyckoff_letters_orig: a a


species: I Tc


species: Al H

species_pp: Al H

Wyckoff_letters_orig: m n o

Wyckoff_letters_orig: a c j

Wyckoff_letters: m n o

Wyckoff_letters: a c j


species: Fe O

Wyckoff_letters_orig: e e


species: I Nb


species: I Mn


species: Cr Ni

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cr Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Zr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ce Si

species_pp: Ce Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ru Sb

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe K

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: F Mn


species: Bi Rh

Wyckoff_letters: e e


species: Mg Nb


species: Al Gd

species_pp: Al Gd


species: Nd Pb


species: Ti W


species: Co V


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Ti


species: Cr Zn


species: Cu Fe


species: Cu V


species: Fe Ni


species: Fe Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ni


species: Mn Ti


species: Mn V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Ti


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni W


species: Ni Zn


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: W Zn


species: Co Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr Cu

crystal_class_orig: tetragonal-dipyramidal


species: Cr Fe


species: Cu Mn


species: Cu Ni


species: Cu Zn


species: Fe Ni

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe V


species: Mo Ni


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: e e


species: Mo W


species: Ca Cl


species: Cl Nb


species: Hg Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg In

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Ta


species: K Ta


species: Li Nb


species: Mg Rb


species: Nb Pb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Rb


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: Co Yb

species_pp: Co Yb


species: Dy Fe

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Ho


species: Gd Mn


species: Er Mn


species: Ce Fe


species: Cr Ho


species: Cu Nd


species: Eu Ni

Wyckoff_letters_orig: a d


species: Fe Pr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ho Ni


species: Ho Sm


species: Ho Ti


species: Ge I

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: I Pb


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61


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: Pr Yb

species_pp: Pr Yb


species: Ru W


species: Cd Cs


species: Co La

species_pp: Co La


species: Cr Zr


species: Cu Tc


species: Fe Tb


species: Au Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Tc


species: Mo Nb


species: Nb Y


species: Os Sc

Wyckoff_letters: a d


species: Cd Mo


species: Fe Pd


species: Ir Ta

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: La Pt

species_pp: La Pt


species: Ag Ti


species: Cd Ti


species: Ir Tc


species: O V

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters: c c c c c c c c


species: Pt Zn

species_pp: Pt Zn


species: La Si

species_pp: La Si

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Re Ru


species: Cd Cr


species: Fe Nb


species: Ta Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca I


species: Co I

species_pp: Co I


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Cr I


species: I K


species: I Li

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: I Ni

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal


species: Ge I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I In

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: a b c d e


species: Ag Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd Rh

crystal_class: hexoctahedral


species: Cu I


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e f

crystal_class: ditrigonal-scalahedral


species: Ga I

Wyckoff_letters_orig: a c g h

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: a d g h

Wyckoff_letters: i i i j j j


species: Cd Pt

species_pp: Cd Pt


species: La Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Zn


species: Ru Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Pd


species: Cl Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Yb


species: Tc Zr


species: Ca Cl


species: Mn Sc


species: Ru Zn


species: As Te

sg:
Pmma #51
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a a

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

Wyckoff_site_symmetries_orig: m m m m m m m m m m

Wyckoff_letters: a a a a

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

Wyckoff_site_symmetries: m m m m m m m m m m


species: Hg Zn

species_pp: Hg Zn


species: Pt Tc


species: Tc Y


species: Au Ir

species_pp: Au Ir


species: Ti Zr


species: Nb Ti


species: Nb Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ta Ti


species: Au Mn


species: Au V


species: Co Nb


species: Ni Ru


species: Pt Y

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag Cu


species: Pd Sb


species: Ta Y


species: O W


species: K O


species: F Nb


species: Cu Sn

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b c d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b c d


species: H Nb


species: Ca Mg

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: I Ta

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: O Os


species: Rh Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Mo


species: Ag Cd

species_pp: Ag Cd

crystal_class_orig: hexoctahedral


species: Ca Li

crystal_class_orig: orthorhombic-bipyramidal


species: Se Ta

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F V

sg:
Pmna #53
Pmmm #47
Pmmm #47

sg2:
Pmna #53
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: e h

Wyckoff_letters: j g


species: Li O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Mg Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Y Zr


species: Eu Si

species_pp: Eu Si

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Be Li


species: Cr Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Zr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nd Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ti


species: Fe Li


species: I Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pd


species: Ca Tc


species: Ge Te

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: F Rb


species: O Zn

species_pp: O Zn

crystal_class_orig: ditrigonal-scalahedral


species: Ni O


species: O Ru

Wyckoff_letters_orig: a d d


species: Co Li


species: Hf Nb


species: O Rh


species: Ag Bi

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Y

Wyckoff_letters_orig: a l


species: S Sr


species: Pb Te

sg:
Pnma #62
Pnma #62
Cmce #64


species: Li O


species: Cu Er

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Li Sn


species: F Ni


species: O W

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: e f


species: Ca Cl

sg:
Pnma #62
Pnma #62
Pnma #62


species: La Pt


species: Hg Os


species: I V

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b b


Wyckoff_letters: a e e


species: Pb Se

crystal_class_orig: trigonal-trapezoidal


species: In Pt

Wyckoff_letters_orig: a d


species: Cu Li


species: Cu K


species: F Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: F Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: e a i


species: Cu F


species: F Sr

crystal_class: ditetragonal-dipyramidal


species: Rb S


species: K Mg

crystal_class_orig: dihexagonal-dipyramidal


species: Y Zn


species: Au Tc


species: O V


species: Bi O


species: Nb Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ru W


species: I Tc


species: O Ru

Wyckoff_letters: d d


species: Hf Hg


species: Hf La

crystal_class_orig: ditetragonal-dipyramidal


species: F Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: c g


species: K Li

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ag Bi

sg:
Pnnm #58
Pnnm #58
Immm #71


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


species: O Pb


species: O Yb

species_pp: O Yb


species: K Mg

Wyckoff_letters_orig: a h


species: Cr O

Wyckoff_letters_orig: a a


species: Cr Se

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a b d h i

Wyckoff_letters: a b d h n


species: Cd O

species_pp: Cd O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: tetrahedral


species: Dy Si


species: Co Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn

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

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


species: Mo P


species: Li Zn

crystal_class_orig: ditrigonal-dipyramidal


species: Co Li


species: Hg Pd


species: O V

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: O Tc


species: F Ti

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: B Fe

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Fe O

crystal_class_orig: trigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Nb O


species: Cu O


species: I Tc


species: Cr Mg


species: Li Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: Ge Te


species: F Fe

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


species: Cr O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Fe Zn


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg N


species: F Ni


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: a d c

Wyckoff_letters: c h


species: Ir Os


species: Cd O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni Ta


species: F Ti

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Os


species: Ca Cu


species: Co Fe


species: O Sr

crystal_class_orig: ditetragonal-pyramidal


species: B O

Wyckoff_letters_orig: n o p

Wyckoff_letters_orig: e h k

Wyckoff_letters: n o p

Wyckoff_letters: e h k


species: Ca Zn

crystal_class_orig: hexoctahedral


species: Li V

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: F Zn

species_pp: F Zn

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu F


species: Si Sr

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d d

Wyckoff_letters: c d


species: Ca Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O V

sg:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m 1 1


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: O Tc


species: Ca Cr


species: O Ti

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Al Fe

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f f

Wyckoff_letters: e f


species: Cr La


species: Sc W


species: Zn Zr


species: F K

Wyckoff_letters_orig: b a


species: Fe Mn


species: Ag Bi


species: In Nd


species: I Ni


species: Co K


species: Cr W


species: Mo Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co F

species_pp: Co F


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Rb


species: O Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: K Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Pb

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Mg Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Cu


species: Cr V


species: Cu Ni


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Zn


species: Fe Zn


species: Co Mn


species: Co Mo


species: Co Ti


species: Co W


species: Cu V

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Fe Mn


species: Fe Ni


species: Fe W


species: Mn Zn


species: Mo V


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni Zn


species: Ti Zn


species: Cu W


species: Cl K


species: Hg Te

species_pp: Hg Te


species: Hg Li


species: Hg Mg


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Se

species_pp: Hg Se


species: Cl Ta

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cs Li

crystal_class: ditrigonal-dipyramidal


species: K Ta


species: Li Nb


species: Mg Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Cl


species: Cl Nb


species: O Pm

species_pp: O Pm


species: Nd V


species: Co Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Mo

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


species: Cl Pb


species: F Ta


species: Fe Yb


species: Dy Ho


species: Ce Ni


species: Dy Pm


species: Fe Ho

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe Pm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ho Ti


species: Tb Yb


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: Cs I


species: Hg I

species_pp: Hg I


species: I Zn

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e h h h

Wyckoff_letters_orig: h h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e e h h h

Wyckoff_letters: h h


species: Hf Ir

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Y


species: Cd Co

species_pp: Cd Co

crystal_class: hexoctahedral


species: Hg Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ag Mn


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: c d d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d


species: Cu Zr


species: Hf Zr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pd W


species: Tc Y


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ag Cu


species: Cr Sc


species: Nd Zn

species_pp: Nd Zn


species: Pd Zr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu F


species: Cu Hf

Wyckoff_letters_orig: d g


species: Pd Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Rh Tc


species: Au Cu


species: Cd Co

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Zn

species_pp: Ir Zn


species: Au Rh


species: Au Tc


species: Nb Pt

Wyckoff_letters_orig: c d


species: Rh Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Sc Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu V


species: Ca I


species: Co I


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f


species: Cr I

crystal_class_orig: rhombohedral


species: Fe I

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I K


species: I Li

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: I Ni

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


crystal_class_orig: dihexagonal-dipyramidal


species: I Zr

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e g


species: I In

Wyckoff_letters_orig: f f f


species: I Sn

species_pp: I Sn

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

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

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


species: Hg I

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Tc Ti


species: Cu I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Ga I

Wyckoff_letters: c d


species: I Sr

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Hg

species_pp: Cd Hg

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ho Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La Mn

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Re V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: I Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Y Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Os


species: Cd Cr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Sc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Rh Zn


species: Au W


species: Bi Cs


species: Hg Nb


species: Hf Mo


species: Hf Zr


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Nb


species: Nb Ta


species: Cd Hf


species: Co Ru


species: Nb Re


species: Cd Ta


species: Pt Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Sc Zr


species: Hf Ru


species: Ru W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Rh

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: I Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mn V


species: Li V


species: Fe Ga

Wyckoff_letters_orig: a h h

Wyckoff_letters_orig: b f h

Wyckoff_letters: a h h

Wyckoff_letters: b f h


species: Cr F

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


species: Fe Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Li Zn


species: Li P


species: Cd O

species_pp: Cd O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Sn Te

species_pp: Sn Te

crystal_class_orig: orthorhombic-sphenoidal


species: Nb O

crystal_class_orig: diploidal


species: O Sr


species: Cr Mg

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Cr Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Pr

Wyckoff_letters_orig: c c c c d

Wyckoff_letters: c c c c d


species: Cd F

species_pp: Cd F

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Tc

Wyckoff_letters_orig: a d d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d c


species: O V


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag V


species: Li V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Ta

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Zr

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: a h


species: F Ni

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: Cd Ni

crystal_class_orig: hexoctahedral


species: Sn Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g


species: I Mn

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: O Os

crystal_class_orig: orthorhombic-bipyramidal


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: F Mn

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: I O

species_pp: I O

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: a c c c

Wyckoff_letters: a c c c


species: Co Fe

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: d e f r

Wyckoff_site_symmetries_orig: 4/mmm mmm. mmm. ..m

Wyckoff_letters: a b c

Wyckoff_letters: d e f r

Wyckoff_site_symmetries: 4/mmm mmm. mmm. ..m


species: Cu Zn


species: Ca V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Br Co

species_pp: Br Co


species: Hg O

species_pp: Hg O

crystal_class: monoclinic-prismatic


species: Ca Cu

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

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hf Nb


species: Br Ca


species: O Ta

Wyckoff_letters_orig: a d


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cu Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: F Li


species: N Nb


species: Li Tc

Wyckoff_letters: b c


species: Fe O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Eu Pb


species: Co O

species_pp: Co O


species: Co Li


species: O Zr

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Hf O

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

sg2:
Ibam #72
Ibam #72
I4/mcm #140


species: N Sc


species: O Os

Wyckoff_letters_orig: h h


species: Cl Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Ni


species: Fe Zn


species: Al Er


species: O Sc


species: P S

species_pp: P S

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: e e e

Wyckoff_letters: c e

Wyckoff_letters: e e e


species: Co K


species: Mo P

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g


species: Fe Mg


species: Eu O

species_pp: Eu O


species: F V

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: O Tb

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Hg

species_pp: Au Hg


species: O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: S Zn

species_pp: S Zn

crystal_class: tetrahedral


species: O Zr

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo N

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b c

Wyckoff_letters: a c


species: Cu Li


species: Co Li


species: Ce Si

species_pp: Ce Si


species: Cu F

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


Wyckoff_letters_orig: a a


species: Ho Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Li Mn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pb


species: Mn Zn


species: C N

species_pp: C N

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g


crystal_class_orig: tetrahedral


species: Au Tc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni O


species: Ge Se


species: Re Rh

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Mg


species: Mn Ta

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: K S

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: O W

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Li Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters: a d


species: V Zn


species: F Zn

species_pp: F Zn


species: Li Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Ni


species: Mo Zr


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Sc Zr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Er Pt


species: O Sr


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial


species: Hf O


Wyckoff_letters: a b c


species: Co Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca O


species: F Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: K O


species: O Si

species_pp: O Si

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c e f g g g h h h h h

Wyckoff_letters_orig: f f h h h

Wyckoff_letters: c c e f g g g h h h h h

Wyckoff_letters: f f h h h


sg:
Pnma #62
Pnma #62
Pnma #62


species: Ag V


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cu Li


species: Li Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co W


species: Ni Ti


species: Ti W


species: Co Mo


species: Cr Cu

crystal_class: orthorhombic-bipyramidal


species: Cr V


species: Cr W


species: Fe Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Mo


species: Mn Zn

Wyckoff_letters_orig: a d


species: Mo V


species: Ti Zn


species: Co Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


crystal_class: hexoctahedral


species: Cr Fe


species: Cr Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu W

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Cu Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters: a d


species: Fe Zn


species: Mo W


species: V Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Li


species: Hg Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Nb

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ca Nb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Rb


species: Pb Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: F Ta

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Cl Cs


species: Gd V


species: Ho Ni


species: Dy Ho


species: Cl Nb

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c c g g

Wyckoff_letters: c c g g


species: Sm V

Wyckoff_letters_orig: a d


species: Ho Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni Yb


species: Tb V


species: Co I

species_pp: Co I


species: I In

crystal_class_orig: monoclinic-prismatic


species: Hg I

species_pp: Hg I


species: Au Hg


species: Cd Nb


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Ru


species: O Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Zn


species: Hg Mn

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

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

Wyckoff_letters_orig: c d

Wyckoff_letters: c e


species: Ir Rh


species: Mo Sc


species: Os Pt


species: Ir V


species: Ni Rh

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Sc Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Hf


species: Fe Rh


species: Ce Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Mn


species: Nb Zn


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Co I


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


Wyckoff_letters_orig: a a


species: Fe I

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: I K

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: I Li


species: I Mg

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


crystal_class_orig: diploidal

crystal_class: diploidal


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


crystal_class_orig: hexoctahedral


species: I Ni


species: Ag I

species_pp: Ag I

crystal_class_orig: orthorhombic-bipyramidal


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_letters: b c

Wyckoff_letters: m n


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb


species: I Pb


species: Au Ti


species: Co Os

crystal_class_orig: ditrigonal-scalahedral


species: Fe Sc

sg:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Re Zr


species: Cu I


species: I Sr

Wyckoff_letters_orig: d b i

Wyckoff_letters: a f


species: Cr Hg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Re


species: Tc Zn

crystal_class: ditetragonal-dipyramidal


species: V Zr


species: Ag Ir

species_pp: Ag Ir


species: Cd Rh

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Sc


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Re


species: Au Ta


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Co Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cu Nb


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Er

crystal_class_orig: ditrigonal-dipyramidal


species: Hf Zr


species: Ru Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Re


species: Ru Y


species: Au Ti


species: Mo Ta


species: Nb Ti


species: Ta Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo Nb


species: V Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cu Ir


species: Ag Ni


species: Mo Pt


species: Re Tc


species: Nb Y


species: P V

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g


species: O Rh

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: I Zn

species_pp: I Zn


species: O Te

species_pp: O Te


species: Cd F

species_pp: Cd F


species: O Zn

species_pp: O Zn

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: O Ti

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Bi O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: Hg Pd


species: O V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Bi Gd


species: Hf N


species: O Y

Wyckoff_letters_orig: a d g h


species: Mo Rh


species: F Fe


species: Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Zr

crystal_class_orig: dihexagonal-dipyramidal


species: La Pt

species_pp: La Pt


species: I Li


species: O Ru


species: F V

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Zr


species: Fe Zr

Wyckoff_letters_orig: a f


species: Cr Mn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d


species: Se Yb

species_pp: Se Yb

crystal_class_orig: dihexagonal-pyramidal


species: Fe Sc

Wyckoff_letters_orig: a h


species: F Hf

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: F Zn

species_pp: F Zn


species: Ca Co

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: O Zn

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: h i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: O Sc


species: Fe Li


species: Cd F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: Lu Te

species_pp: Lu Te

Wyckoff_letters_orig: c f g

Wyckoff_letters: c f g


species: F N

species_pp: F N

crystal_class: dihexagonal-pyramidal


species: O Tc

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: d d d


species: Cd Ni

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: I V

Wyckoff_letters: a h


species: Br Tl

sg:
Pnna #52
Pnna #52
P4/nbm #125

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters: e e


species: O V


species: Nd O

species_pp: Nd O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Si

species_pp: O Si

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Nb Y


species: Li O


species: Os Pd

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Nb


species: Ag Bi

Wyckoff_letters: a d


species: Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Mg

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O

species_pp: Co O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Al Cu

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu O

crystal_class_orig: monoclinic-prismatic


species: Cr Pt


species: Cr W


species: Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a d


sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64


species: Ni O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Lu Pd


species: F Mn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O V

crystal_class_orig: hexagonal-trapezoidal


Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i


species: Ag Ir

species_pp: Ag Ir


species: Cr Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb O

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Cd Hg

species_pp: Cd Hg


species: I O

species_pp: I O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Fe I


species: Se Sn

species_pp: Se Sn


species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: F V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Li Mn

Wyckoff_letters: c e d


species: Cu Ru


species: Cd Ti


species: Hf Re

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters: a d


species: Ni O


species: Pb S

Wyckoff_letters_orig: a a


species: Co Li

crystal_class: hexoctahedral


species: Li Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ge S

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Ti


species: Ca Cr

crystal_class: ditrigonal-scalahedral


species: Cr K


species: Ca O

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Mo O

Wyckoff_letters: c c


species: Cr Li

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Cs O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: Hf Rh


species: Pb Se

Wyckoff_letters_orig: j j


species: In La

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Al H

species_pp: Al H

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

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


species: Co Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hg Tc

Wyckoff_letters_orig: a d


species: Pt Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Ru

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: As Gd

species_pp: As Gd


species: Ca Fe

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Ag Zr


species: B Tc

crystal_class: dihexagonal-dipyramidal


species: Ca Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Mn


species: Re Sc


species: Sn Te

species_pp: Sn Te

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: Cr O

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: As Ni


species: Bi O


species: Cr F

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Li Ni


species: Mg Te


species: Mg O

Wyckoff_letters_orig: a c d

Wyckoff_letters: a c d


species: O Sn

species_pp: O Sn


species: Co O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Ir La


species: K N


crystal_class_orig: monoclinic-sphenoidal


species: O Rb


crystal_class_orig: ditrigonal-scalahedral


species: O Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Mn Ti


species: Ni Ti

Wyckoff_letters: a d


species: V W

crystal_class_orig: ditetragonal-dipyramidal


species: Co Cr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Zn

Wyckoff_letters: c c


species: Cu V


species: Fe Ni


species: Fe V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn V


species: Ti V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ti W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V Zn


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Cu


species: Co Mo

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Co Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Ti

crystal_class_orig: dihexagonal-pyramidal


species: Cu Fe


species: Mn Zn


species: Mo Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Ti


species: Mo V


species: Mo W


species: Ni V

Wyckoff_letters_orig: a d


species: W Zn


species: Cl Mg

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cs Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg K

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Hg Li

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg Mg


species: Hg Rb

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Hg S

species_pp: Hg S


species: K Rb

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: K Ta


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Rb


species: Mg Ta


species: Rb Ta


species: Cs F


species: Ce O

species_pp: Ce O


species: Co Ho

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Er

Wyckoff_letters: a d


species: V Yb


species: Fe Ho

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Tb


species: Er Zn


species: Cl Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: g h j k n

Wyckoff_letters_orig: g i

Wyckoff_letters: g h j k n

Wyckoff_letters: g i


species: W Zn


species: F Nb

Wyckoff_letters_orig: c c


species: Ce Ho


species: Co Dy

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Gd

species_pp: Co Gd


species: Cr Nd


species: Eu Mn


species: Fe Pr


species: Fe Sm

Wyckoff_letters_orig: b d


species: Sm Yb


species: Cr I

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: I Pb


species: I Rb

sg2:
Immm #71
Immm #71
Immm #71


species: Hg I

species_pp: Hg I


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: Cu Sm


species: Hf Ti


species: Ir La


species: Ta W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag W

crystal_class: tetrahedral


species: Hf Hg

Wyckoff_letters_orig: a d


species: La Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ag Ta

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cd Cs


species: Co Ir

species_pp: Co Ir

crystal_class: orthorhombic-bipyramidal


species: Os Pd

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ag Zr

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


species: Os Rh


species: Hf W

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Re

Wyckoff_letters: b d


species: Al O

species_pp: Al O

crystal_class: ditrigonal-scalahedral


species: Au Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca I


species: Co I

species_pp: Co I


species: Cr I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: I Li


species: I Mg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: I Ni


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ba I

crystal_class: ditetragonal-dipyramidal


species: Hg I


species: Pd Sc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Pt Rh


species: W Zr


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ga I

Wyckoff_letters_orig: e f


species: Fe Nb


species: Hg Y


species: Hf Mo


species: Co Sc


species: Pm V


species: Ce Cr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cu Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: As O

crystal_class_orig: ditrigonal-scalahedral


species: Hf Ru


species: Re W

crystal_class_orig: dihexagonal-dipyramidal


species: Sc V


species: Ag Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Hf

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf V


species: Mo Nb


species: Mo Zr


species: Ta Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Zr


species: Nb Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb W


species: Ta Zr


species: Nb Tc


species: Au Ta


species: Cu Hg


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a


species: Cu Mo


species: Co La

species_pp: Co La

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ag Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Zr


species: Cd Cr


species: F V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d