species: Nd Te

species_pp: Nd Te

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Si

species_pp: O Si

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ho O

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-pyramidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

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: a c


species: Li Ni

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ga Th

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: c c


species: O Sn

species_pp: O Sn

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h k

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h k


species: Hg O

species_pp: Hg O

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: O Rh


species: K Mg


species: F Zn

species_pp: F Zn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Se Sn

species_pp: Se Sn

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

Wyckoff_letters_orig: e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

Wyckoff_letters: e e


species: O Ru

Bravais_lattice_orig: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Co O

species_pp: Co O

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e f f

Wyckoff_site_symmetries_orig: m m 1

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e f

Wyckoff_letters: e e f f

Wyckoff_site_symmetries: m m 1


species: Mn Os

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Ni Ti

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Cu F

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ag Au

species_pp: Ag Au


species: Cu P

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

point_group_type: polar

Wyckoff_letters: a b c c


species: Cu Y


species: Bi O

Bravais_lattice_relax: MCLC

Wyckoff_letters_orig: e f f

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: e f f


species: Cd O

species_pp: Cd O


species: O Ta

sg:
Pmmn #59
Cmmm #65
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ca F

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

aflow_prototype_params_list_relax: a c/a x2


species: Li Mg


species: Ca Cu

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: I Nb


species: Au Mo


species: O Zr

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: O V

Wyckoff_letters_orig: e f


species: H Ta

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

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

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: F K

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Fe Mn

aflow_prototype_params_list_orig: a c/a x2


species: Al Zr

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ni


species: O Rh


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI


species: Ca Zn

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: O Pd

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: c c


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: Li Ti


species: I V

crystal_class_orig: diploidal

crystal_class: diploidal


species: F Ta

Wyckoff_letters: a c


species: Ni Y

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


species: Mn Zr


species: F Fe


species: I Ta


species: Co Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mo


species: Cr Fe

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB


species: Cr Mn


species: Cr Mo


species: Cr Ni


species: Cr Ti


species: Fe Mo


species: Mn W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ti Zn

aflow_prototype_params_list_orig: a b/a c/a x2


species: Co Mn


species: Cu Ti


species: Mn V


species: Ni Ti


sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Ni W


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Hg In

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Hg Rb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cl Mg

Wyckoff_letters_orig: e e


species: Ca Rb


species: K Nb


species: K Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal


species: Li Rb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Li Ta


species: Mg Rb


species: Mg Ta


species: Nb Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sm


species: Ho O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Co Fe

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Er Sm


species: Gd Sm


species: Mn Pr


species: Ho Sm

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Dy


species: Cl Pb


species: Ni W

Wyckoff_letters: e e


species: Ho Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Zn


species: Mn Sm


species: Ce Nd

species_pp: Ce Nd

Egap_DOS_type: metal


species: Co Yb

species_pp: Co Yb

Wyckoff_letters: a d


species: Ho Ti


species: I Pb

Egap_DOS_type: insulator


species: I Sb

species_pp: I Sb

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_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: I Ni


species: Ag Fe


species: Co Zr

Wyckoff_letters: a c


species: Fe Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Mo Ta


species: Ni Re


species: Ti Zr


species: Ag Pd


species: Os Sc


species: Pt Re


species: Cr Hf


species: Nb Rh


species: Os Ru


species: Re Sc


species: Re Zn


species: Ir Ru

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Mn


species: Cd Hf


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Y

point_group_Schoenflies: T

point_group_structure: alternating


species: Nb Zn

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: Rh Sc


species: Au Cr


species: Cr Ir


species: Hg Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Re


species: Hf V


species: Ca I

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Co I

species_pp: Co I

crystal_class_orig: orthorhombic-bipyramidal


species: Fe I

Egap_DOS_type: half-metal

crystal_class_orig: ditrigonal-pyramidal


species: I K

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Li

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


crystal_class: ditetragonal-dipyramidal


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d


species: I Ni


species: Be I

sg:
Pbcn #60
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c c d

Wyckoff_letters: i h


species: I Zr


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: I Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Sb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Hg I

species_pp: Hg I

sg:
Cmcm #63
Cmcm #63
Fmmm #69


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: I Pb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cu I

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Au Rh

crystal_class_orig: hexoctahedral


species: Cr Pt


species: Mn Re

Wyckoff_letters: a d


species: Y Zr


species: Co Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Zr


species: Os Ru


species: Ag Au


species: Co Nb


species: Mo Pd


species: Au Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ag V

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal


species: Cd Ru

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb Re

crystal_class: monoclinic-prismatic


species: Cd Pd

crystal_class: ditrigonal-scalahedral


species: Ho Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd Hf


species: Co Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Mo

crystal_class: hexoctahedral


species: Ti Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ti


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mo Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ta W

crystal_class_orig: dihexagonal-pyramidal


species: La V


species: Ni Zr

Wyckoff_letters_orig: a d


species: Re Sc


species: Nb Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb W

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Pt Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Pd W


species: La Re


species: Fe Si


species: Fe Ir


species: Hf Sc


species: Al Pd

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Ca V


species: Cu O

Wyckoff_letters_orig: a b

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ga Pt


species: La Nb

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ga Rb

Wyckoff_letters_orig: c h h

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: c h h

Wyckoff_site_symmetries: 3m .m .m


species: K Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co


species: Pb Y


species: Mg O


species: Au Mn


species: F V

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: Sn Te

species_pp: Sn Te

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: F Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Au Ru


species: K N


species: O Ti

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


crystal_class_orig: hexagonal-trapezoidal


species: F Fe


species: Li Mg

Wyckoff_letters: a d


species: Al Cs


species: Cr Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Zn

species_pp: Hg Zn


species: Cr O


species: Fe O


species: Au Pt

species_pp: Au Pt


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c d

Wyckoff_letters: e e


species: I O

species_pp: I O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: F Nb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Se Zn

species_pp: Se Zn


species: Al Pd

sg:
Pnma #62
Pnma #62
Pmmn #59


species: Cu Ni


species: Ni O


species: F Ti

Wyckoff_letters_orig: a a a


species: Co Pr

species_pp: Co Pr

Wyckoff_letters_orig: a e f h k

Wyckoff_letters: a e f h k


species: O V

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: O Ru

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m


species: Re W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: I Nb

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

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

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


species: K O

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


species: O Sr


species: In Te

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a c d

Wyckoff_letters: b d

Wyckoff_letters: a c d


species: Au Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Fe K


species: Pt Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

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: Ru Ti

crystal_class_orig: ditrigonal-dipyramidal


species: Co Li

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mo Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag S

species_pp: Ag S

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: c c


species: Ca Co


species: As S

species_pp: As S

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c d

Wyckoff_letters: c d


species: Pd Sc

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Re

Wyckoff_letters_orig: a l

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a b/a c/a x3


species: Cu I


species: Mo Pb

crystal_class_orig: ditetragonal-dipyramidal


species: Ir Sb

species_pp: Ir Sb

Wyckoff_letters_orig: e e


species: Co Os


species: Ba O


species: F Fe


species: As La

species_pp: As La


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cr Mg


species: Re Ti


species: Li O

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Nb O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Hf Hg


species: Hg Y


species: Tc W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr O

aflow_prototype_params_list_orig: a b/a c/a y2


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Tc V


species: Ca Fe


species: Fe I


species: V Y

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: As Se

species_pp: As Se

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Li Tc


species: F Ti

crystal_class_orig: ditrigonal-pyramidal

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: Li Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: O Zn

species_pp: O Zn


species: O Ru

Wyckoff_letters_orig: a a


species: Ti Zr


species: Rh W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ge O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: In Lu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O

crystal_class_orig: ditrigonal-scalahedral


species: O Pd

crystal_class: tetrahedral


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: I Nb

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

reciprocal_lattice_type: ORCF

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Ir Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Bi Ti

crystal_class_orig: hexoctahedral


species: Ag Bi

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: K Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Sc


species: Nb O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: O V


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

Wyckoff_letters_orig: c c c c c b b

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

Wyckoff_letters: c c c c c b b


species: Bi In


species: Si Zr

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b

Wyckoff_letters: a b b


species: Cr Ir


species: Ho P


species: F Sr


species: Ca Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ir O

species_pp: Ir O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O


species: F Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI


species: Ti Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Pt


species: O Zr

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

Wyckoff_letters: h k

Wyckoff_letters: a b


species: Fe Li


species: Co O

species_pp: Co O

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Sc Zr


species: I Mn

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Nb O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Mn V


species: Cr Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I O

Wyckoff_letters_orig: d c f

Wyckoff_letters: c d


species: O Tc


species: Ca Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Mg


species: Li Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: b c


species: I Ti


species: Cr Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb S

crystal_class_orig: triclinic-pinacoidal

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Cu F


species: Ca O

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


species: K O

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Ca I


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Zn

species_pp: Co Zn


species: Hf La

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: Os Pd

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nd Tl


species: Pt Rb


species: Cd Cs

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Li V

Wyckoff_letters: c c


species: Ni O

Wyckoff_letters_orig: e e


species: Mg Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Pb Rb


species: Ca Pb


species: Mg Nb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Ta

Wyckoff_letters_orig: a h


species: O Ta

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Co Ti


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Mo


species: Fe Ni

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Mo

crystal_class: ditetragonal-dipyramidal


species: Mo Ni


species: Mo Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo V


Wyckoff_letters_orig: a i

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ni Zn


species: Co Cu


species: Co Fe

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: b c d r

Wyckoff_site_symmetries_orig: 4/mmm mmm. mmm.

Wyckoff_letters: a e f

Wyckoff_letters: b c d r

Wyckoff_site_symmetries: 4/mmm mmm. mmm.


species: Co Mn


species: Co Mo

Wyckoff_letters: a h


species: Co W


species: Cr Mo


species: Cr Ni


species: Cr Ti

crystal_class_orig: ditrigonal-dipyramidal


species: Cr V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca Cl

crystal_class: diploidal


species: Hg Mg


species: Hg S

species_pp: Hg S


species: Ca Rb

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Cs Nb


species: Cs Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Rb

Wyckoff_letters_orig: b e j


species: Mg Ta


species: Nb Rb


species: Pb Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cs Li

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Cl Nb

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

Wyckoff_letters_orig: b b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b b c c c c


species: O Sm

crystal_class: ditrigonal-scalahedral


species: O Yb

species_pp: O Yb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Dy V

Wyckoff_letters: a d


species: Sm Tb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Yb


species: Ho Yb


species: Gd Zn

species_pp: Gd Zn


species: Nd Pr

species_pp: Nd Pr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ce Cr


species: Co Sm


species: Fe Nd


species: Ho Zn


species: Pm Tb


species: Pm V


species: Sm Ti


species: I Pb

crystal_class: triclinic-pinacoidal

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

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


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I In

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Fe Nb


species: Hf Ir


species: Ir Tc


species: Mn Rh


species: Pd V


species: W Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg Zn

species_pp: Hg Zn

crystal_class: hexoctahedral


species: Ir Ti


species: La Y


species: O Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f f f f f

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

crystal_class: rhombohedral

Wyckoff_letters: f f f f f f f f

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


species: Cu Hf


species: La O

species_pp: La O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Ru Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K S

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Os W


species: Mn Pm


species: Cu Hg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Re

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: La Re


species: Pd V


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ca I


species: Co I

species_pp: Co I


Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Fe I

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Li


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: I Ni

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Be I

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Zr


Wyckoff_letters_orig: a a a

Wyckoff_letters: f c


species: Cd I

species_pp: Cd I


species: I Sn


species: Ag Ir

species_pp: Ag Ir


species: Cu Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu I


species: I Zn

species_pp: I Zn


sg:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: Ga I


species: Ag Hf

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Sc


species: Cu La


species: Fe Zr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pt W


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co Nb


species: Cu Pt

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Hg La


species: Ir Nb


species: Ag Hg

species_pp: Ag Hg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Hf


species: Cr Tc


species: Sc Si


species: Tc Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Hf Pt

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Nb Ti

crystal_class_orig: diploidal


species: Re W


species: Cu Zr


species: Hg Nb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: hexoctahedral


species: Hg Y


species: Sc W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Au Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Ta


species: Ta Zr

sg:
Immm #71
Immm #71
Immm #71


species: W Zr


species: Au La

species_pp: Au La


species: Co Nb


species: Se Sr


species: Rh Zn


species: Ta Zn


species: Pt V


species: Ag Nb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag O


species: Nb Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Zn

species_pp: Ag Zn

crystal_class_orig: ditrigonal-scalahedral


species: Fe Mg

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Bi Se


species: In V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O W


species: Os Tc


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: O V

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Se Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: b g g h h

Wyckoff_letters: b g g h h


species: Au Ga


species: Fe Hg

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ni O


species: I Ti

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ru


species: Ca Mn


Wyckoff_letters_orig: a d k

Wyckoff_letters: a d k


species: Cu Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr Hg


species: Os Pt


species: O Sc


species: Br Tb

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: i i i i

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Cr Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Ni


species: Li 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: Rh Ta


species: O Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: I Ni


species: Ca Cr


species: Nb Pd


species: I V

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: Cr Cu


species: Fe I


species: Nb Zn

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Mn O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cu K


species: Co N

species_pp: Co N

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: La Mn


species: Au Mn


species: Ca Cl


species: Nb O

Wyckoff_letters_orig: a b


species: I Nb

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: Co Sn

species_pp: Co Sn

Wyckoff_letters_orig: f g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: f g


species: Li Mg


species: Ni Os


crystal_class_orig: ditrigonal-pyramidal

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

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

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


species: Ca K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mn Os

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Pd Y


species: Nb Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Y Zn


species: K Li


species: Ag Ru


species: Li V

crystal_class_orig: ditrigonal-dipyramidal


species: K O


species: Co Mg


species: Ca O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Mo W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sr


species: Bi Cs


species: Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: O V


species: Ni Rh

crystal_class: dihexagonal-dipyramidal


species: Ca V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ta Y


species: Rh Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Zn

species_pp: O Zn


species: I Mn


species: S Sn

species_pp: S Sn


species: Ca Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co F

species_pp: Co F


species: Cu O


species: Ge Se

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hf Zr


species: Ti V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: K Li


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I V


species: Nb Sc


species: Cr F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i i i i i i i


species: Ca Co


species: Os Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Ni


species: Cu Mg


species: Cd Rh


species: Nb S

Wyckoff_letters_orig: a a


species: Ir Pt

species_pp: Ir Pt


species: O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Li

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Cu F


species: F Sr

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b a


species: Cr K

crystal_class: ditrigonal-scalahedral


species: Ni Re


species: I Tc

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f


species: Co Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Tb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Co Y


species: K Mg


species: O Ti


species: Pd Pt

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Ni


species: Mg O


species: I Ta

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d e f g g

Wyckoff_letters_orig: f g

Wyckoff_letters: d e f g g

Wyckoff_letters: f g


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Fe


crystal_class_orig: dihexagonal-pyramidal


species: Cl H

species_pp: Cl H

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: Gd Sn

species_pp: Gd Sn


species: Cu O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Mn O


species: Li Ti


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: H Mo


species: Si Sr


species: I Tc

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: F Ti


species: Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Tc

crystal_class: diploidal


species: Ca Co


species: F Ni

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: O Sr

crystal_class: monoclinic-prismatic


species: Cr Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Pd V


species: I V

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m m n n n

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: g g g


species: Al Nd

species_pp: Al Nd

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d

Wyckoff_letters: c d

Wyckoff_letters: d d


species: K Li

crystal_class: hexoctahedral


species: Ca O


species: Fe Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: C Fe

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a e i k p z

Wyckoff_letters: a e i k p z


species: Mn O

sg2:
Pbcm #57
Fmmm #69
I4/mmm #139


species: Au Rh


species: Li Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Ta


species: Ca Pb


species: Mg Pb


species: Co V


species: Co Mo


species: Co Ni

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cr Mo


species: Cr W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Ni


species: Cu W


species: Mo Ti


species: Ti W


species: Co Fe


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Cr V

Wyckoff_letters_orig: a l


species: Cu Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mn Ti


species: Mo Ni


species: Mo Zn


species: Ni V

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: V W


species: Cl Nb

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Hg Li


species: Hg Se

species_pp: Hg Se

crystal_class_orig: tetrahedral


species: Hg K

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Te

species_pp: Hg Te


species: F Nb

sg:
Cmcm #63
Cmcm #63
P6/mmm #191

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h


species: O Pb


species: Cs K

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Ta


species: Mg Rb

Wyckoff_letters_orig: c d e


sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


crystal_class_orig: hexoctahedral


species: Ho Sm


species: Dy Pr


species: Cu Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Ho


species: Cs O


species: Er Ni


species: Eu Ti

Wyckoff_letters_orig: a c


species: Er V


species: Ho Tb


species: Ce Mn

crystal_class_orig: dihexagonal-dipyramidal


species: Ce Sm


species: Cr Pm

crystal_class_orig: ditrigonal-scalahedral


species: Cu Ho


species: Er Yb


species: Mn Yb


species: Ni Sm


species: Ni Tb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Tb Ti


species: Tb V

Wyckoff_letters: a c


species: I In


species: Cs I


species: Er Ho


species: Fe Pt


species: La Rh


species: Pt Sb

species_pp: Pt Sb


species: Rh Ta


species: Ta W


species: Tc W

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Tc


species: Hg W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Tc Zn


species: Ag V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Tc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Pt

species_pp: Hg Pt

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ir Mn


species: Au Nb


species: Pd Tc


species: Rh Tc


species: La Zn

species_pp: La Zn


species: Ce Nd

species_pp: Ce Nd


species: Hg La

species_pp: Hg La

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ir Rh


species: Os Tc


species: Al O

species_pp: Al O


species: Cd Rh


species: Co Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg Nb


species: Pt Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Re Y


species: Hf Ru


species: Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr I


species: I Li

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: I Mg

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Ag I

species_pp: Ag I

crystal_class: ditrigonal-dipyramidal


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a b b b

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

Wyckoff_letters: a a a a b b b

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


Wyckoff_letters_orig: a a a a a b b

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

Wyckoff_letters: a a a a a b b

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


species: Au La

species_pp: Au La


species: La Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Zn

species_pp: I Zn

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Sr


species: Er V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Ru

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: Ta Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mn Y


species: Re V


species: Fe Pm

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Pd Se

crystal_class: orthorhombic-bipyramidal


species: Ba Sb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf Hg


species: Ru Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cd Cr


species: Sc Ti


species: Ge I

Wyckoff_letters_orig: e e e e

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

Wyckoff_letters: e e e e

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


species: Mo Nb


species: Nb Ti


species: Ta Ti

crystal_class: dihexagonal-dipyramidal


species: Co Sm


species: Rh Y


species: Os Y


species: Cd Co

species_pp: Cd Co


species: Re Ti


species: Au Fe

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au Pd


species: Au Re


species: Nb Os


species: Sn Sr


species: W Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mg S

crystal_class: dihexagonal-pyramidal


species: I Nb

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ag Ta


species: Li Pb

crystal_class: ditrigonal-scalahedral


species: K O


species: Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a


species: O Sb

species_pp: O Sb


species: S Sn

species_pp: S Sn


species: Fe Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: As S

species_pp: As S


Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ga Nd


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O

species_pp: Co O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a c b d d

Wyckoff_letters: d d d d d d


species: N Zr


species: Mn Zn


species: Ca Mn


species: O Tc

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Li Ti


species: In Ni


species: Fe Zr


species: S Ti


species: F Mn

Wyckoff_letters: a a


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sr


species: F Ni


species: Cu Pt


species: F Mg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu Tc


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: a a a a


species: Cr Ru


species: Ca Li


species: Pb Se


species: Ca V

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Co Pt

species_pp: Co Pt


species: Se Sn

species_pp: Se Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Nb Se


species: Ag Cu


species: Li O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Fe O


species: Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: F Mn

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Pt Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a


species: Ca K


species: Mo W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e


species: Au Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn O


species: I V

crystal_class_orig: orthorhombic-bipyramidal


species: O Sr


species: O Sb


species: O Tb


species: O V

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Fe Mg


species: Sc V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Ru


species: Li Zn

crystal_class_orig: dihexagonal-pyramidal


species: V Zn

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral


Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Ta V


species: F V

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Nb O

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f

Wyckoff_letters: e e f f


species: Fe O


species: Ni V

Wyckoff_letters_orig: a f


species: Bi O


species: O W

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: tetrahedral


species: In Se

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a


species: F Fe

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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


species: I Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Re Ru


species: Ni O

Wyckoff_letters_orig: d e f

Wyckoff_letters_orig: c c

Wyckoff_letters: d e f

Wyckoff_letters: c c


species: Ca Co


species: Os Y


species: I Tc


species: Mn O

Wyckoff_letters_orig: c b


species: Fe Pt

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Br Ca


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V

Wyckoff_letters_orig: c d


species: Li Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sr

crystal_class: tetrahedral


species: Hg O

species_pp: Hg O


species: Ag W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd O

species_pp: Cd O


species: Cu Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: C Zr

crystal_class_orig: dihexagonal-dipyramidal


species: O Re

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Co O

crystal_class: diploidal


species: O Tc

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Co Li


species: H Ti


species: O Tl

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e


species: Ag Sc


species: Ni Zn


species: O Pb


species: Ca K

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Mo


species: O Sr


species: Li Tc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr O

crystal_class_orig: ditrigonal-scalahedral


species: O W

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: e n n h l i m o m n o m n e m h i a

Wyckoff_letters_orig: j j b o n m o m n n e m m n h l e h

Wyckoff_letters: e n n h l i m o m n o m n e m h i a

Wyckoff_letters: j j b o n m o m n n e m m n h l e h


species: Ni O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: O Pt

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: I Ti


species: O Ti

Wyckoff_letters_orig: n m


species: Ge O


species: Co Zn

species_pp: Co Zn

sg2:
Immm #71
Immm #71
Immm #71


species: O Sc


species: Cr F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Sc Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Li O

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: c c

Wyckoff_letters: a b b

Wyckoff_letters: c c


species: Cu Hf


species: Cl Re

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: Cu K


species: Mg O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: O Ta

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b


species: I Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Mg Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Mn


species: Co Mo


species: Co W


species: Cr Cu


species: Cr Fe

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Mn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Ni


species: Cu Mn

crystal_class_orig: diploidal


species: Cu V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e


species: Fe Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn V


species: Mn W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo W


species: Ni V


species: Ni Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Zn


species: Cu Mo


species: Fe Mn


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Ti


species: Fe V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe W


species: Mo Ni


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Zn


species: Ni W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ti W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Mg


species: Hg Ho


species: Hg Rb

crystal_class: ditrigonal-dipyramidal


species: Hg Se

species_pp: Hg Se


species: Cs K

crystal_class: ditetragonal-dipyramidal


species: Cs Li


species: Ca Rb


species: F Nb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Cl Nb

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


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: i i j k

Wyckoff_letters: i i j k


species: Ce V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Nd


species: Dy V


species: Ca F


species: F Mg


species: Er Mn


species: F Pb

Wyckoff_letters_orig: a a


species: Co Dy


species: Dy Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Er Ho


species: Eu Fe

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe Tb


species: Ni Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd I

species_pp: Cd I


species: I Ni


species: Co Zr


species: Cu Pt


species: Fe S

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58


species: La Ta


species: Pt V


species: Rh Ti


species: Sc Tc


species: Ta Y


species: O Re

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ag V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Pd


species: Mn Ta


species: Cr Ta


species: Ir Os


species: Cd Tc


species: Sc Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ir Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La W


species: Rh W


species: Ru Zn


species: Cd Ti


species: Fe Nb


species: Pd Ru


species: Ta W


species: Hg V


species: Rh V


species: Hg Os

sg:
Immm #71
Immm #71
Immm #71


species: Pt Ti


species: La Mn


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cr I

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: I K

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: I Li


species: Cd I


species: I In

crystal_class: rhombohedral


species: Ba I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Ti


species: Cu Sc

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


species: Nb Pd


species: Pt Y


species: Pt Zn

species_pp: Pt Zn


species: Re Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: I Zn

species_pp: I Zn


species: Al I

species_pp: Al 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: I Sr


species: Rh Zr


species: Au Pd


species: Hf Os

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd Zr


species: Rh Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ru Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: La Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: La Zn

species_pp: La Zn


species: Au V

Wyckoff_letters_orig: c d e


species: O Pb

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd Co

species_pp: Cd Co


species: Cr Y


species: Hf Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Nb Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf V


species: Nb Ta


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta Ti


species: Cr Zr


species: Cr Hf


species: Hf Os


species: Hf Ru


species: Cd Ta


species: La Pd


species: Co O

species_pp: Co O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a


species: Fe Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ti


species: N Si

species_pp: N Si


species: Rh W

crystal_class_orig: ditetragonal-dipyramidal


species: O Sc

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f


species: F V


species: Mn V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Y


species: O Ti

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Hf Pd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ca Mn


species: I Ni


species: Li Tc

Wyckoff_letters_orig: d e


species: Cu I


species: Sr Zn


species: K O


species: Hg O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Co Mg


species: Ba Hg

Wyckoff_letters_orig: b g g

Wyckoff_letters: b g g


species: Fe Hg


species: Fe O

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l o

Wyckoff_letters_orig: d k n

Wyckoff_letters: a l o

Wyckoff_letters: d k n


species: Cu F


species: Ta Zn


species: Ca Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Zn


species: Pb Se


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a a

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: F Mn

Wyckoff_letters: a a


species: Bi Hf

Wyckoff_letters_orig: i i


species: O V

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Au Zn

species_pp: Au Zn


species: Fe I


species: Ca K


Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: a g

Wyckoff_letters: g g


species: Cu S


species: F Zn

species_pp: F Zn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m


species: O W

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e


sg:
Pnnm #58
Pnnm #58
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Cs Te

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55


species: O Pt

species_pp: O Pt

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Pd Y

Wyckoff_letters: a f


species: Co K

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mn

crystal_class: hexoctahedral


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: N Zr


species: F Tl


species: F Mn

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Re


sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ag V


species: O Tl

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: N Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: P Re

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cr V


species: O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ti


species: Co F

species_pp: Co F

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Ir

species_pp: Cd Ir


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a a


species: Mn Zn

crystal_class_orig: tetrahedral


species: Mg Nb


species: Nb O


species: Rh Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ge O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Li


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Dy Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Cr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: As Hf

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f f f


species: Tc V


species: Ga Sr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Nb


species: O Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c d


Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: b h

Wyckoff_letters: a g h

Wyckoff_letters: b h


species: F V

crystal_class_orig: tetragonal-trapezoidal


species: Cd O

species_pp: Cd O


species: C Ca

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Te

crystal_class_orig: hexoctahedral


species: Au Tc


species: Se Sn


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ag N

species_pp: Ag N

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Sc Zr


species: Li Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Nb

crystal_class_orig: dihexagonal-dipyramidal


species: Cu O

Wyckoff_letters_orig: b c e

Wyckoff_letters: b c e


species: Al P

species_pp: Al P

sg:
Ibca #73
Ibca #73
Ibca #73

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: a d e c

Wyckoff_letters: a d e c


species: Cu F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Ca Fe

sg:
Pnma #62
Pnma #62
Pnma #62


species: O Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: Cu Mg

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

sg2:
Pnnm #58
Pnnm #58
I4/mmm #139


species: Pt Sb

species_pp: Pt Sb

crystal_class_orig: diploidal


species: K O


species: Cd Mo


species: Cd Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Mo

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Br Zr


species: Cr O

sg:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: O V

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Li O

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Mg N

crystal_class: diploidal


species: Hf Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li Ni

crystal_class_orig: ditrigonal-dipyramidal


species: N Pt

species_pp: N Pt

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cu O

crystal_class_orig: monoclinic-domatic


species: Cr Cu


species: In Sb


species: K Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mg O

Wyckoff_letters_orig: a a


species: Nb V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d


species: O Sr

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Ag Mo

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Br Eu

species_pp: Br Eu

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: Co O

species_pp: Co O

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: B W


Wyckoff_letters_orig: d f

crystal_class: tetrahedral

Wyckoff_letters: d f


species: Li Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr K


species: Be N

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ir Mn

Wyckoff_letters: a d


species: Cl Ta

crystal_class_orig: rhombohedral


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li O


species: Cr O

Wyckoff_letters_orig: e f


species: Nb Sc


species: Bi O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Mg O

Wyckoff_letters_orig: a a a a a a


species: Au Cd

species_pp: Au Cd


species: Mn Nb

crystal_class: ditetragonal-dipyramidal


species: O Si

species_pp: O Si


species: Os Ti

sg:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: N Ta


species: O V


species: Li Pb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pb Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cu Ti

crystal_class: dihexagonal-dipyramidal


species: V Zn


species: Co Cr


species: Co Cu


species: Co Mo


species: Cr Ti

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Ni


species: Mo W

sg2:
Immm #71
Immm #71
Immm #71


species: Ti W


species: Co Mn


species: Cr Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Ni


species: Cr W

crystal_class: ditrigonal-dipyramidal


species: Cu Mn

Wyckoff_letters_orig: a d


species: Fe Ti

crystal_class_orig: tetrahedral


species: Mn Ti


species: Mn W


species: Mo Ni


species: Mo Zn

crystal_class: ditrigonal-scalahedral


species: Ni V


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Nb


species: F Rb


species: Hg In

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hg Li

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Hg Mg


species: Hg S

species_pp: Hg S


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Se

species_pp: Hg Se


species: Ca Cl

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ca Ta


species: K Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Li Nb


species: Li Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mg Rb


species: F Nb

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: O Pb

Wyckoff_letters: a d


species: Dy O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Dy Er


species: Co Sm

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cl Pb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Ti


species: Cu Sm


species: Dy Fe


species: Er Mn


species: Er Pr


species: Fe Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Tb


species: Pr Zn

species_pp: Pr Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Co I

species_pp: Co I


species: Mn Nb


species: Ir Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Y


species: Sc Zn


species: F Mn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: O W

Wyckoff_letters_orig: i i j k

Wyckoff_letters: i i j k


species: Au Hg

species_pp: Au Hg


species: Co Sc


species: Nd Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Os Re


species: Ag Co

species_pp: Ag Co


species: Ni Y


species: Rh Zn


species: Ru Zr


species: W Y

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: La Mn

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b


species: La Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Zr


species: Ag W


species: Tc V


species: Tc W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Tc Y

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca I

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Co I


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


crystal_class: rhombohedral


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: Fe I

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: I K


species: I Mg

sg:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Be I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: I Rb

crystal_class: hexoctahedral


species: Ag I

species_pp: Ag I

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

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


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ba I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: I Pb


species: Cd Cr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd La

species_pp: Cd La

crystal_class_orig: ditrigonal-scalahedral


species: Ta V

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: I Zn

species_pp: I Zn

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: I Sr


species: Tc Zn


species: Ag Re

crystal_class_orig: hexoctahedral


species: Cu Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal


species: Nb Os

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Os W


species: Ru Ta


species: Co Pd


species: Hf Tc


species: Rh Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: La Ta


species: Pt W


species: Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Mo Os


species: Cr Ir


species: Nb V


species: Nb Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a d


species: Nb W

crystal_class: orthorhombic-bipyramidal


species: Ti Zr

crystal_class: dihexagonal-dipyramidal


species: Y Zn

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Nb Pd

crystal_class: ditrigonal-scalahedral


species: Se Zn

species_pp: Se Zn


species: Nb Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Ru


species: Cd Rh


species: Fe I

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

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


species: Hg O

species_pp: Hg O


species: Mn Zr


species: W Y


species: Nb Sn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: P Si

species_pp: P 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: Cd O

species_pp: Cd O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Fe K


species: Se Sn

species_pp: Se Sn

crystal_class_orig: orthorhombic-bipyramidal


species: O Zn

species_pp: O Zn


species: Mn Os


species: I V


species: Ni O

Wyckoff_letters_orig: a d g h


species: Pd Zr


species: Mn Ru

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Li

crystal_class_orig: tetrahedral


species: O Tc

Wyckoff_letters_orig: a b c

Wyckoff_letters: b c


species: I O

species_pp: I O

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h


species: O Pt

species_pp: O Pt

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Cr O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Cd Ta

Wyckoff_letters_orig: a c


species: Mn O


species: Ca Zn


species: Bi O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Re Tc

Wyckoff_letters: a c


species: Au Co

species_pp: Au Co


species: Li Tc


species: F Mg


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca Li


species: K O


species: Hf O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Cd O


species: F Ni


species: Cr Mg

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Os


species: K Li


species: Hf Si


species: Ca Cu


species: Co Li


species: Ho O

Wyckoff_letters: d a


species: Li Ni


species: O W

Wyckoff_letters: a a a a


species: O Sn

species_pp: O Sn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Au Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Se Sn

crystal_class: hexoctahedral


species: Ir Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Li

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i


species: O Si

species_pp: O Si

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Fe O

Wyckoff_letters_orig: c f f f

Wyckoff_letters_orig: a c f f f f

Wyckoff_letters: c f f f

Wyckoff_letters: a c f f f f


species: Cu F


species: Bi O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: Cr N

crystal_class_orig: dihexagonal-dipyramidal


species: Ni Ti


species: Ir O

species_pp: Ir O

sg:
Pbcm #57
Pbcm #57
Pmma #51

Wyckoff_letters_orig: a d d

Wyckoff_letters: b i


species: Co Li


species: Cr Fe


species: Co Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Rh Zn


species: O Pb


species: Ni S

crystal_class_orig: hexoctahedral


species: O Ti

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pb S

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Bi Te

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b d d

Wyckoff_letters: b d d


species: Ca Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Li


species: Ta Zn

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 W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Fe


species: Mn O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Co W


species: Cr Se


species: Fe Mg


species: Ir O


species: Bi I


species: O Re

crystal_class_orig: orthorhombic-pyramidal


species: Os Re

crystal_class_orig: ditetragonal-dipyramidal


species: Al La

species_pp: Al La

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Rh


species: I Mn


species: F V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ag Cr


species: I Ti


species: O Si


species: Cr Mg


species: Fe Li


species: I Nb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: F Mg


species: Sn Te

species_pp: Sn Te

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Ca Ni

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: O Os


species: Cd O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Eu Se

species_pp: Eu Se


species: Ag Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Nb

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Nb O


species: H W

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: O Zr


species: Ca K


species: O Sr


species: Nb Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Li Zn


species: F Ni


species: F Mn

Wyckoff_letters_orig: d e


species: Rh Se

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Li V

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Ni Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Hf

crystal_class: ditrigonal-scalahedral


species: Ba Cl

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co Li


species: Be Mn

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: Au Rh


species: I V


species: Ce Sb

species_pp: Ce Sb


species: S Ti


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ge Te


species: Cr K

Wyckoff_letters: d e


species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Bi O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Fe Re


species: Ni O

sg2:
Pnma #62
Imma #74
Cm #8

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a b

crystal_class: monoclinic-domatic


species: Cl Nd

species_pp: Cl Nd


species: W Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Mg

crystal_class_orig: tetrahedral


species: B Fe


species: O Sn

crystal_class_orig: monoclinic-domatic

crystal_class: orthorhombic-pyramidal


species: Li V

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


species: O Tm

species_pp: O Tm

Wyckoff_letters: a b c


species: Cd O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cs O


species: O Zn

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: Li O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: I V


species: Li Pb


species: Cu V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Zn


species: Cr V


species: Cu Ni

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Mn


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Mo


species: Mn Ti


species: Mn Zn


species: Mo Ti


species: Ti W


species: W Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Zn

crystal_class: diploidal


species: Cu Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Fe Mo


species: Fe Ni


species: Mo Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mo W


species: Ni W


species: V Zn


species: Hg K


species: Hg Mg

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


species: Hg O

species_pp: Hg O


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Te

species_pp: Hg Te


species: K Ta


species: Mg Ta


species: Nb Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Li

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: F Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: K Nb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cl Mg

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Cl Nb


species: F Nb


species: Ca Cl

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: O Sm

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: g i

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Dy Sm


species: Co Sm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Sm


species: Cu Dy

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cl Cs


species: Co V


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ce Co

species_pp: Ce Co


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Er Sm


species: Eu Sm


species: Eu Zn

species_pp: Eu Zn

Wyckoff_letters_orig: a d


species: Nd Sm


species: Nd Zn

species_pp: Nd Zn


species: Tb Zn


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Co I

species_pp: Co I


species: Hg I

species_pp: Hg I


species: I In

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic


species: I Zn

species_pp: I Zn

sg2:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: c c e d f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c c e d f f

Wyckoff_letters: f f


species: Au V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Re Zn

Wyckoff_letters: a d


species: Nb Pt

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Pt Ta

crystal_class: hexoctahedral


species: Cr Rh


species: Mn Zr


species: Pd Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Re Sc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Re Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Rh V


species: Pt Sc


species: Ag La

species_pp: Ag La


species: Au Fe


species: Au Nb


species: Co Tc


species: O Si

species_pp: O Si

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

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

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

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


species: O W

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Pt Zr


species: Al O

species_pp: Al O


species: Mg O


species: La Pt

species_pp: La Pt


species: La W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca I

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Co I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe I


species: I Mg

crystal_class_orig: tetragonal-trapezoidal


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

sg:
Pbcn #60
Pbcn #60
Pbcn #60


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: I Zr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e f

Wyckoff_letters: f f f


species: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Hg I


species: I Pb


species: Cr Tc


species: La Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ni Pt

crystal_class: ditetragonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: g f


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: diploidal


species: I Zn

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: Al I

species_pp: Al I


crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Fe Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class: orthorhombic-bipyramidal


species: Mn Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Rh Y


species: Ag Cr


species: As Rh

crystal_class_orig: hexoctahedral


species: Au Re

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Hf

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c d e


species: Nb Tc


species: Pd W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ta Zn


species: Au Ni


species: Hg Ru


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ti Zr


species: Hf Tc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: La Mn


species: Os Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Os Re

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Sc


species: Fe Zr


species: Sc W


species: Hf Mo

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf V


species: Co Gd

species_pp: Co Gd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb V


species: Ta Ti


species: W Zr


species: Co Pd

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: La Re


species: Ba Se

Wyckoff_letters_orig: a b c


species: Sb Sr


species: Os Rh


species: Au Tc

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: La Zr


species: Ag Ni


species: Hg Ni


species: Tc Ti


species: Se Th

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Ti

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Li Mn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Co W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Tc


species: Ca O


species: Hf Rh


species: Li V


species: Co F

species_pp: Co F

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Nb O

Wyckoff_letters_orig: a a b c e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c e


species: C Ni


species: Er Sb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li P


species: La Nb


species: I Mn


species: Ir Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ge Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a j j

Wyckoff_letters_orig: f j j

Wyckoff_letters: a j j

Wyckoff_letters: f j j


species: K O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O V

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Co Mg


species: Ca Cu

Wyckoff_letters: a h


species: Fe Mg


species: Ba Zn


species: C Se

species_pp: C Se


species: Cu Hg


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: f h i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f h i


species: Cd Co

species_pp: Cd Co

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: O Yb

species_pp: O Yb

sg:
Pmmm #47
Pmmm #47
Pmmm #47


species: O Os

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: O Tc

crystal_class_orig: monoclinic-domatic