species: Co F

species_pp: Co F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ca Ti

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

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: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: b h

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Nb O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

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: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j j

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCF

Wyckoff_letters: j j j


species: Co O

species_pp: Co 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: ditrigonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

point_group_type: polar

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: b c

Wyckoff_letters: c c


species: Os V

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: F V

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a a a a


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Ca Mg

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: h i

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: h i


species: Rb S

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Pd Rh

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ge O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: e e

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

aflow_prototype_params_list_relax: a c/a x2


species: Co Mg

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Bi O

Wyckoff_letters_orig: a e e


species: Mn Ti

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic


species: F Fe

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ag Bi

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

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: Li O

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

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

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e


species: Li Zn


species: O Tb

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC


species: Pb Te

Bravais_lattice_orig: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: O Os

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC


species: Al Er

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d h h

Wyckoff_letters_orig: b c c

Wyckoff_letters: d h h

Wyckoff_letters: b c c


species: Er O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Eu O

species_pp: Eu O

crystal_class_orig: tetragonal-scalenoidal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

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: Ru W


species: B Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: F V

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ca Ni


species: Co 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: I V

crystal_class_orig: dihexagonal-pyramidal


species: F Mg


species: Nb Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

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

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


species: O Zr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: O W

sg:
Pmmm #47
Pmmm #47
Pmmm #47

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: Cd Hf


species: Ca O

Wyckoff_letters_orig: a b d

aflow_prototype_params_list_relax: a c/a


species: F Ni


species: Ni O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Mn

Wyckoff_letters_orig: a a


species: S Zr


species: F Ti


species: Cr Mn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: O V

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ho In

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sn

species_pp: O Sn


species: Fe Zr


species: As Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe I


species: I Tc

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: O Zr

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Tc Zr

aflow_prototype_params_list_orig: a c/a x2


species: Mg O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters: c c


species: F Fe

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

point_group_structure: cyclic

Wyckoff_letters: f f f


species: Fe W

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: In O


species: Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr F

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca O


species: Co Hg

species_pp: Co Hg

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: c f

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: c f


species: Re Si


species: O Zn

species_pp: O Zn

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB


species: K Pb


species: Mg Nb


species: O Ta


species: Co Fe


species: Cr Mn


species: Cr V


species: Fe Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a c/a


species: Fe Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Ni


species: Mo V


species: Mo Zn

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


species: Ni V


sg:
Pnma #62
Pnma #62
Cmmm #65

sg2:
Pnma #62
Pnma #62
Cmmm #65

Bravais_superlattice_lattice_type: ORCF

aflow_prototype_params_list_relax: a b/a c/a


species: Cu Mn


species: Cu Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Mo W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Ta

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Hg S

species_pp: Hg S


species: Hg In


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg K

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg Te

species_pp: Hg Te


species: Cl Nb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Rb


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Ta


species: F Nb

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cl Pb


Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: f g j

point_group_Schoenflies: T

point_group_structure: alternating

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: f g j


species: F Pb


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: Ce V


species: Ho Tb


species: Cr Dy


species: Er Ti


species: Ho Zn


species: O Pb


species: Cl Mg

aflow_prototype_params_list_relax: a b/a c/a x2


species: Nd Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ce Cr

Egap_DOS_type: metal


species: Ce Fe


species: Ce Pm

species_pp: Ce Pm


species: Cu Tb


species: Dy Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Eu Zn

species_pp: Eu Zn


species: Fe Nd


species: Ho Ti


species: Mn Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Tb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pm Sm


species: Sm Ti


species: Ba I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e


species: Cs I


species: I Rb


species: Ag Pt

species_pp: Ag Pt


species: Lu Sn

species_pp: Lu Sn


species: Nb V

Wyckoff_letters: c e d


species: Nb W

point_group_structure_orig: symmetric

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co Rh

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Nb Ni


species: Ru Ti


species: Cr Tc


species: Rh Tc


species: Fe Re


species: La Mn


species: Os Pd


species: Au Cr

Wyckoff_letters_orig: c d


species: Cd Co

species_pp: Cd Co


species: Cd Pt

species_pp: Cd Pt


species: Cu Pr


species: Os Rh

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: Fe Hg


species: Cr Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Ru

crystal_class_orig: diploidal


species: Mn Ta


species: Mo Y


species: Os Re


species: Ca I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co I

species_pp: Co I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: Fe I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: g i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: I Mg

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m


species: Be I


species: I Zr

Wyckoff_letters_orig: a d


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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class: ditetragonal-dipyramidal


species: Ir Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Re V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ta Tc

crystal_class: orthorhombic-bipyramidal


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


species: I Sr

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: Cr Nb


species: Fe Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Pt

species_pp: Co Pt

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

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: Ir Os

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Ir Pd

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: Nb Pt


species: Os Rh


species: Cd Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Zr


species: Nb Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Co


species: Hf Ta


species: Hf V


species: Mo Zr

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb Ta


species: Ta V


species: Ba Se


species: C Eu

species_pp: C Eu

crystal_class_orig: monoclinic-prismatic


species: Cd Ti


species: Co Y

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Nb

crystal_class_orig: ditrigonal-scalahedral


species: Ir La

species_pp: Ir La


species: Au Nb


species: Mn Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Nb Re


species: Fe Hg


species: Sb Sr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ir Sc


species: Os Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Sb Si

species_pp: Sb Si


species: Sr Zn


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

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2


species: Nb O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: hexagonal-trapezoidal


species: S V

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

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: O Ti

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: K O

crystal_class: ditrigonal-scalahedral


species: C O

species_pp: C O

Wyckoff_letters_orig: a c e g

crystal_class: hexoctahedral

Wyckoff_letters: a c e g


species: Co Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe K


Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Al Mo

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

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f f f f f f f

Wyckoff_letters: f f


species: Ni O


species: Cr Mo


species: Cd Tc

crystal_class: ditrigonal-dipyramidal


species: Br Se

species_pp: Br Se

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

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters: a b c c


species: Cl Mg

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ir O

species_pp: Ir O


species: Nb Sc


species: Au Zn

species_pp: Au Zn

crystal_class_orig: tetrahedral


species: Ho S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


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: O Zr

Wyckoff_letters_orig: i i i i


species: O Sr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: 2/m m m m m


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ho O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: f f


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F K


species: Ca O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cr O

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

Wyckoff_letters: i i i i

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


species: Li O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn

species_pp: O Sn


species: Li V


species: Pr Sb

species_pp: Pr Sb

crystal_class_orig: ditetragonal-dipyramidal


species: Cd La

species_pp: Cd La

crystal_class_orig: diploidal

crystal_class: diploidal


species: Pd V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Zn


species: Sc Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pd Re

sg:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: O Tl

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd Sc

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e f


species: O Ti

crystal_class_orig: monoclinic-sphenoidal


species: O V

Wyckoff_letters_orig: a b


species: O Pd

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

crystal_class: gyroidal

point_group_Schoenflies: O


species: Co O

species_pp: Co O

crystal_class_orig: rhombohedral


species: Mn Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Bi Ti


species: F Zn

species_pp: F Zn


species: Nb Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Yb

species_pp: O Yb

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a c


species: Mn O

crystal_class_orig: monoclinic-prismatic


species: Bi Cs


species: Cu O


species: Fe Ru


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a c

crystal_class: rhombohedral


species: F V

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a


species: I Li


species: Cr Li

crystal_class: ditetragonal-dipyramidal


species: Mg O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O W

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

Wyckoff_letters: c c

Wyckoff_letters: b c


species: F Ti


species: Ca Mn

crystal_class_orig: ditrigonal-scalahedral


species: Cu Mg


species: Co V

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cu Zn

crystal_class: orthorhombic-bipyramidal


species: I Nb

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f


species: I Tc

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: I Mg


species: Cd Cr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn O

Wyckoff_letters_orig: f j

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f j


species: Hf N

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a i i i

Wyckoff_letters: i i i i


species: Ca O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: Ca Tc


species: Fe Li


Wyckoff_letters_orig: b g


species: O Ta

Wyckoff_letters_orig: a b e

Wyckoff_letters: a d e


species: Mg O

sg:
Pnma #62
Pbcm #57
Pbcm #57

sg2:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a d d


species: Cu Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni Zr

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Nb

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Ca I


species: Li Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Mn Zr


species: K O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: S Sn

species_pp: S Sn

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59


species: Cr Li


species: O Zr

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Nb W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cu F

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: I Ni


species: Cd Co

species_pp: Cd Co


species: O W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Au Zn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: I Ti

crystal_class_orig: dihexagonal-pyramidal


species: K Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Nb

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Pt V

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O


species: Co V


Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: Ca Li


species: Fe Hf


species: Nb O


species: Pb Se


species: F Mn

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Ni Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F Ni


species: O V

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: As O

species_pp: As O

Wyckoff_letters_orig: a d e e

Wyckoff_letters: a d e e


species: Nb Zn


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ni Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti


species: Cu Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li S


species: O P

species_pp: O P


species: Co F

species_pp: Co F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Ag Cr


species: Ru Se


species: F Mg


species: Mg Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Pb


species: O Ta


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: V Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Cu

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cr Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Ni


species: Fe Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mn W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Zn


species: W Zn


species: Co Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Cu

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr W


species: Cu V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cu Zn

crystal_class_orig: tetrahedral


species: Fe Mo

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Zn

crystal_class_orig: hexoctahedral


species: Mo Ti


species: Ni W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ti W

crystal_class_orig: orthorhombic-bipyramidal


species: V W

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: F Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg K

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters: a e h


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Se

species_pp: Hg Se


species: O Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs Mg


species: K Rb


species: Mg Ta


species: Pb Ta

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: K Nb


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Rb Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Mg

Wyckoff_letters_orig: d b i

Wyckoff_letters: d a i


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Pm

species_pp: O Pm

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Eu Mn


species: Pr Zn

species_pp: Pr Zn


species: Cr Er


species: Dy Nd


species: Dy Zn


species: Cl Pb

sg:
Pnma #62
Cmcm #63
Pnma #62


species: Ni Ti


species: Ho V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Tb


species: Ce Zn

species_pp: Ce Zn


species: Hf W

crystal_class_orig: diploidal

crystal_class: hexoctahedral


species: Ho Sm


species: Pr Yb

species_pp: Pr Yb


species: Sm Ti


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Cr I

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a


species: I Rb


species: Ag Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Os Zn


species: Cu Pd


species: Ni Zr


species: Rh Ti


species: C O

species_pp: C O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr Tc


species: Nb Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ni Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Pt Zn

species_pp: Pt Zn


species: Hf Hg


species: Mo Nb


species: Rh Zn


species: Cr Ir


species: Hf Pd

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ir Pd

Wyckoff_letters: c e d


species: Mo Ru


species: Hg La

species_pp: Hg La


species: Tc Y

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr Gd


species: Mn Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I K


species: I Li


species: I Ni


species: Be I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: d d


species: I Zr


species: Ag I

species_pp: Ag I


species: I In

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: I Sn

species_pp: I Sn

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

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I Pb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Mn


species: Au Os


species: Co Os


species: Co Pt

species_pp: Co Pt


species: Ni Os


species: Cu I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


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: I Sr


species: Ag Cu

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ir Tc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Nb Pt


species: Hf Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: I Ni


species: Hf V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Au Ni

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Cd

species_pp: Au Cd


species: Sb Sc


species: Tc Zn


species: Mo S


species: Nb Ni


species: Os Pd


species: W Y


species: Hf Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf Ta


species: Nb W


species: Cr Ir


species: Mn Ru


species: Pt Ti


species: Rh Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Au Hg

species_pp: Au Hg


species: Ag Os


species: Ta Y


species: Nb V


species: Ca Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr F

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Ca Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li O


species: Ir Ru


species: Cr Mg


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: Cu O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


species: H V


species: Cu Ir

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: O V

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

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: e e e e e e a

Wyckoff_letters: e e e


species: Cd F

species_pp: Cd F

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Nb W

crystal_class_orig: ditrigonal-dipyramidal


species: B Cl

crystal_class: ditetragonal-dipyramidal


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: O Sc

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: I V


species: I Ti

crystal_class: dihexagonal-dipyramidal


species: O Re

Wyckoff_letters_orig: b g


species: Ca Cu

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


species: O Zr

Wyckoff_letters_orig: a b c e

Wyckoff_letters: a b c e


species: Ca Mg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: B O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ca Cr


species: Hf Hg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg Si

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: 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

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

Wyckoff_site_symmetries: m m m m m m m m

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


species: Dy Ru

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Mo O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn O

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Rh

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: I Mg


species: Ni Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu La


species: F Mn

sg:
Pbcn #60
Pbcn #60
Pbcm #57

sg2:
Pbcn #60
Pbcn #60
Pbcm #57

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d


species: Co Mn


species: Ca Cu


species: Ni Ti


species: N Pd


species: Cl Pb


species: F Fe


species: I Tc

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Pd Ti

Wyckoff_letters_orig: c d


species: Cd Co

species_pp: Cd Co

crystal_class_orig: hexoctahedral


species: O Tc


species: Co Li


species: Rb Sb


species: Se Zn

species_pp: Se Zn


species: N Ni


species: Cr Mg


species: O Pr

species_pp: O Pr


species: K Mg


species: Ca Zn


species: P Rh

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a g

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a g


species: Sn Te

species_pp: Sn Te

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Co O


Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Cu Li

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: I Nb

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal


species: O Ti


species: Ca Mn


species: Ge O


species: O Zn

species_pp: O Zn

crystal_class: hexoctahedral


species: Li Mg

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Ca Ti


species: Co Hg

species_pp: Co Hg


species: Li Zn


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters: a b d d


species: F Fe

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: F Ti

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


species: La Ni

Wyckoff_letters_orig: a b


species: Ni Si


species: Fe Mg

crystal_class_orig: dihexagonal-dipyramidal


species: N Os


species: Ca K

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Li Mn


species: Mn Sn


species: Cd O

species_pp: Cd O


species: Fe O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c


species: K Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al Ho

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


species: Ce Rh


species: Cd F


species: Mg Te


species: Ni Y

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ca O

crystal_class_orig: orthorhombic-sphenoidal


species: Cr La


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pb Se


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: La Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Ti

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: Ca Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn

species_pp: O Sn


species: Ag Sr

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Nb O

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ca V


species: O Tc

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: F V

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Co Li


species: F Li


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ni O


species: Ag Bi

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b g h

Wyckoff_letters: a h

Wyckoff_letters: b g h


species: Cu Li


species: Bi O


species: Co O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Ti

Wyckoff_letters_orig: g g


Wyckoff_letters: b l


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe K

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu I


species: Co K

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Li Ni


species: O Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Zn


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Ti

sg:
Pnma #62
Pnma #62
Cmce #64

crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cd O

crystal_class_orig: ditetragonal-dipyramidal


species: Bi Se


species: Cr Ir


species: Mg O

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

Wyckoff_letters_orig: e e e

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

Wyckoff_letters: e e e


crystal_class_orig: hexoctahedral


species: Cr Mo


species: Ni Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Cu


species: Cr V


species: Cr W

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cu Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe W


species: W Zn


species: Co W


species: Cr Fe


species: Cr Ti


species: Cu V


species: Cu W


species: Cu Zn


species: Fe Mn


species: Fe Ni


species: Fe Zn


species: Mn Ti


species: Mo W


species: F Nb


species: Hg Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: b h


species: Hg In


species: Hg Mg


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg O

species_pp: Hg O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hg Rb


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cl Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cl Ta

crystal_class_orig: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2


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

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Ca Rb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Li Nb

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal


species: Li Rb


species: Mg Ta

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a c


species: K Rb


Wyckoff_letters_orig: a a


species: O Pb

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: Er Ni


Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cr Sm

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ni Pm

crystal_class: dihexagonal-dipyramidal


species: Cr Gd


species: Cu Sm

Wyckoff_letters_orig: e e


species: Dy Er

Wyckoff_letters: a c


species: Dy Ho


species: Er Pm


species: Eu Ni


species: Eu Tb


species: Fe Gd

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ho Yb


species: Pm Tb


species: Tb Yb


species: Cr I

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Ag I

species_pp: Ag I


species: I Sr


species: Ag V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ce Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Ir


species: Cu Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Dy Mn


species: Ga O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Hg Mn

Wyckoff_letters_orig: a d


species: Os Re


species: Os Tc

Wyckoff_letters_orig: c d


species: Sc Y

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Zr


species: Ag Au

species_pp: Ag Au

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hf Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Ti

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: La Ta


species: Rh Sc

Wyckoff_letters_orig: c c


species: Ir Mo


species: Mo Pt


species: Au Hf


species: Fe Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Hf

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg O


species: Mo Os

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I

crystal_class: orthorhombic-sphenoidal


species: Co I

species_pp: Co I

Wyckoff_letters: c c


species: Cr I

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


crystal_class: ditrigonal-scalahedral


species: Fe I

crystal_class_orig: orthorhombic-pyramidal


species: I Mg


aflow_prototype_params_list_relax: a b/a c/a y2


crystal_class: hexoctahedral


species: I Ni

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ba I


Wyckoff_letters_orig: e e e e


species: I Pb

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: Cu I

crystal_class: trigonal-trapezoidal


species: Ga I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Sr

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: Fe Nb


species: Pd V


species: V Y


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: W Y

Wyckoff_letters_orig: c c


species: Ag Au


species: Hf Mo


species: Ni Sc


species: Re Ti


species: Cr Hf


Wyckoff_letters_orig: a d


species: Au Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg Zn

species_pp: Hg Zn


species: Os Rh


species: As O

species_pp: As O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: Au Ti


species: Au Y


species: Cd Pd


species: Cu Re


species: Ir Zr


species: Cd Nb


species: Hg Ru


species: Hf Ti


species: Ta W


species: Hf Ta


species: Hf W


species: Mo Sc

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ta Ti


species: Ba Se


species: Mn Tc


species: N Y


species: Rh Ru


species: Si Te

species_pp: Si Te


species: Ag Os


species: Mn Ta


species: Ni Sc


species: Rh Ti

Wyckoff_letters_orig: c d


species: La Y


species: Cr Pt


species: Fe Zr


species: Cd Nb


species: Cu Hg


species: La V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pt V


species: Nb V


species: Mn Nb


species: Cr O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Li Zn


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nd O

species_pp: Nd O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Cu Mg


species: I Mg


species: Fe Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Fe


species: Li Ni


species: Cr Li

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Zr


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: O Zr

Wyckoff_letters_orig: a d


species: Co Mo


species: Mn O


species: Eu O

species_pp: Eu O


species: Mg P


species: Hf Tc


species: Bi O


species: Se Sn

species_pp: Se Sn

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: Ca Cu


species: La Y


species: Co Y


species: O W

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Hf La

Wyckoff_letters_orig: a c


species: Ir O

species_pp: Ir O


species: Te Zn

species_pp: Te Zn


species: Bi In

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Re


species: Ca Ti

sg:
Pnnm #58
Immm #71
Immm #71


species: Ag Fe


species: Pb Te

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Pd


species: Li Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al F

species_pp: Al F

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Li


species: Ir Os

Wyckoff_letters_orig: e e


species: Pd V


species: Au Nb


species: F Ti

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Ru

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: I Zn

species_pp: I Zn

crystal_class: monoclinic-prismatic


species: Sc W


species: Ca I

crystal_class_orig: ditrigonal-scalahedral


species: F Ni


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-bipyramidal


species: Ge Te

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: c b d d


species: H Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i i i i i i i


species: Mo S

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: F V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Pd Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Ta

sg:
Pnma #62
Pnma #62
Imma #74


species: Fe I


species: Li V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ag Ta


species: Fe Nb


species: Mg S

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Os


species: Cd Ti


species: O Zn

species_pp: O Zn

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: O Si

species_pp: O Si


species: I Mn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d c


species: O Sn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Co F

sg:
Pnma #62
Imma #74
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: Ca K

crystal_class_orig: hexoctahedral


species: Co Cr


species: Br Cu


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Cd Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Zn


species: Mg O

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Fe Mg


species: Ca Cu

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: O Ru


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Tc


species: Cd Te

species_pp: Cd Te


species: Cl Co

species_pp: Cl Co


species: Be Hf

Wyckoff_letters_orig: e f f g j k k k k l

Wyckoff_letters_orig: d c e f

Wyckoff_letters: e f f g j k k k k l

Wyckoff_letters: c d e f


species: Ge Se


species: O Zn

crystal_class_orig: tetragonal-trapezoidal


species: Cd Cu

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h k

Wyckoff_letters_orig: c h

Wyckoff_letters: a h k

Wyckoff_letters: c h


species: Nb O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: V Y


species: Bi O


species: I Ti

sg:
Cmce #64
Pmma #51
Cmmm #65

sg2:
Cmce #64
Cmce #64
Pmma #51


species: Fe V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mg


species: Cd Hg

species_pp: Cd Hg


species: Co W


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ca Fe


species: F Ni

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Cr Re


species: Fe Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Au Sc

Wyckoff_letters_orig: a i


species: Be Mo

Wyckoff_letters_orig: c d f g

Wyckoff_letters: c d f g


species: Fe Mn


species: Ca Ni

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Zn


species: Cr O


species: Fe Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd W


species: Nd Pt

species_pp: Nd Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Pb Se


species: Dy Ge

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Rh Ta


species: Ag Rh


species: Mn O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Bi O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f

Wyckoff_letters: c d

Wyckoff_letters: a b f


species: Ir Y


species: Mo O


species: Co Cr


species: Nb Os


species: Ir Pt

species_pp: Ir Pt


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Ca Fe


species: Cr Re

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Tb

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


Wyckoff_letters_orig: b d


crystal_class_orig: orthorhombic-pyramidal


species: Cr Fe


species: Cr Li

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


crystal_class_orig: diploidal

crystal_class: diploidal


species: Co O

species_pp: Co O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d


species: Cs Pb


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: O Ta

sg:
Pnma #62
Pnma #62
Pmmn #59


species: Co Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Ni

crystal_class: dihexagonal-dipyramidal


species: Cu V


species: Fe Ti


species: Mn W


species: Cr W

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Cu W


species: Fe Mn


species: Mn Mo


species: Mn Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni W

Wyckoff_letters_orig: c c c


species: Ni Zn


species: Ti W


species: Co Cr

sg:
Pnma #62
Pnma #62
Pnma #62


species: Co Cu


species: Co Mo


species: Cr Mo

Wyckoff_letters: b f


species: Cr Ti


species: Cr Zn


species: Fe Mo


species: Fe Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn V

Wyckoff_letters_orig: a f


species: Ti V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F Pb

sg:
Pnma #62
Pnma #62
I4/mmm #139


species: F Rb


sg:
Cmcm #63
Pmma #51
Pmma #51

sg2:
Cmcm #63
Pmma #51
Pmma #51


species: Hg In


species: Hg O

species_pp: Hg O


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Ca Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cs Ta


species: K Ta


species: Pb Ta


species: Rb Ta


species: Li Ta


species: Hg Li


species: Cl Cs


species: Cu Sm


species: Er Ho


species: Cr Pm


species: Ce Tb


species: Er Fe


species: Eu Tb


species: Sm Ti


species: Ag I

species_pp: Ag I

crystal_class: orthorhombic-pyramidal


species: Cr I

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ge I

Wyckoff_letters: c d


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Hg Y


species: Nb Os


species: Fe La

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Ti

Wyckoff_letters_orig: d c


species: Tc W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Ta


species: Au Cr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Y


species: Fe Pt


species: Hg Zr


species: Cl Li


species: Hg Ni

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Sm

Wyckoff_letters: a c


species: Fe Tc


species: Hg Ta


species: Mg Pd

Wyckoff_letters_orig: a h k

Wyckoff_letters_orig: c h

Wyckoff_letters: a h k

Wyckoff_letters: c h


species: Mn Rh


species: Nb Zr


species: Ag Re


species: Mo Nb

Wyckoff_letters_orig: a c


species: Ag Ir

species_pp: Ag Ir


species: Hf Mo

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir La

species_pp: Ir La


species: Nb Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Re Zn


species: Ta Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Au Mn

crystal_class_orig: dihexagonal-pyramidal


species: Ca I

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n


species: Co I

species_pp: Co I


species: Cr I


species: I K


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: I Li


crystal_class: tetragonal-trapezoidal


species: I Mg

Wyckoff_letters_orig: c d


species: I Ni

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: Be I

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: I Si

species_pp: I Si

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Ag I

crystal_class: hexoctahedral


species: Cd I

species_pp: Cd I

Wyckoff_letters: a a


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

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

crystal_class: ditrigonal-pyramidal

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

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


species: I Sb

species_pp: I Sb

crystal_class_orig: hexagonal-trapezoidal


species: Ba I


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: i j

Wyckoff_letters: i i i j j j


species: Ga I


species: Co Os

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Zr


species: Cd Tc


species: La Rh

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d


species: Os Ru


species: Co Nb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ni Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sc Zn


species: La Se

species_pp: La Se


species: Mo S

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Os Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Os W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Re Ti


species: Sc Tc


species: Ag Bi


species: Hf V


species: Hf Nb


species: Hf Ti


species: Hf W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf Zr


species: Nb Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Nb


species: Ta Zr


species: Ru Zr


species: Co Rh


species: Pd Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rh Zr


species: Nb Pd


species: Cd V


species: Ag Cd

species_pp: Ag Cd

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Mg


species: Ge Mn


species: Cd Zr


species: O Zr


species: Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Li V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hf Nb


species: Ca F


species: O W

sg2:
Pbcm #57
Pbcm #57
P4/nmm #129


species: B Er

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: P S

species_pp: P S

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: f f

Wyckoff_letters: e e f


species: Nb Pt

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sc Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Tc


species: O Pt

species_pp: O Pt


species: Mn O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr F

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Sn Te

species_pp: Sn Te


species: Cd Cr


species: Co Fe


species: Cr La

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Tc

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ru Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb Os

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Lu Os


species: V Y

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Li Ni

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ca Mn


species: Fe Pd


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Tc


species: Pb Se

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cu O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: a b

Wyckoff_letters: a a b


species: Te Tl

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe I


species: Ti Y


species: Cr Li


species: O W


species: Cd F

species_pp: Cd F


species: I Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Be S

Wyckoff_letters: e e


species: Cr O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Fe

Wyckoff_letters_orig: f f f


species: Br Sn

species_pp: Br Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag Bi

crystal_class_orig: hexoctahedral


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Cd Cs


species: In 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: La V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li V


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


species: Mn Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Tc

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: O Zr


species: Mn Rh

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cs Xe

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


species: Au Tc

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cl Cs


species: Sn Te


species: Ca O


species: Co K

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: O V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Lu Rh


species: Li Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi O


species: Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca Ti


species: Ru V


species: Co Mg

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu I


species: Ca Zn


species: O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Cr O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Mo N

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: d i

Wyckoff_letters: c i

Wyckoff_letters: d i


species: Cu Mg


species: O Ti


species: Br H

species_pp: Br H


species: Li Ni

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co V


species: K Mg


species: Ca Fe


species: Ca Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Mg

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Mg


species: Ag Ru


species: I Ti


species: Hg Rh


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li O


species: Cr Ni


species: I Mg


species: F Ge

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

Wyckoff_letters_orig: a a a a a a a

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

Wyckoff_letters: a a a a a a a


species: Co O

species_pp: Co O


species: Ca O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: O Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Pb


species: La O

species_pp: La O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: In Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr K


species: Bi Cs


species: Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: c b


species: Mo Ta


species: C S

species_pp: C S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Li


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Li V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters: g g


species: O W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Er Ni


species: O Sn

species_pp: O Sn


species: Ga S


species: O Yb

species_pp: O Yb

crystal_class_orig: trigonal-trapezoidal


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c g

Wyckoff_letters: c e

Wyckoff_letters: c g


species: Fe K


species: O Zr


species: Cd Zn

species_pp: Cd Zn


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: Cu Li

Wyckoff_letters: c d e


species: F Hg

species_pp: F Hg


species: Fe I


species: Br Ca


species: Ag Bi


species: Cr Mg


species: I Mn

crystal_class_orig: orthorhombic-pyramidal


species: O W

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Ge Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Nb

Wyckoff_letters: a c


species: Ga Li


species: Co Mg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Re Tc

crystal_class_orig: tetrahedral


species: Cr O


species: Ni Y


species: K Pb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg Pb


Wyckoff_letters_orig: a c


species: Pb Rb

Wyckoff_letters_orig: d e


species: O Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Co W


species: Mn Zn


species: V W


species: Co Zn

species_pp: Co Zn


species: Cr Zn


species: Cu W


species: Fe Zn


species: Mn Ti


species: Mn W

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ti W


species: Co Mn


species: Co Mo


species: Co V

Wyckoff_letters_orig: c d e


species: Cr Cu


species: Cr Fe

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


species: Cr W


species: Cu Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu Mo


species: Fe Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Ti

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Mn Ni


species: Mo W


species: V Zn


species: W Zn


species: Cl Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cl Mg

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: Hg Pd


species: Hg Ho

crystal_class_orig: diploidal


species: Hg Mg

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Ca Nb

crystal_class_orig: orthorhombic-bipyramidal


species: Cs Nb


species: K Rb


species: Li Ta

Wyckoff_letters: c e d


species: Nb Pb


species: Gd O

species_pp: Gd O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ti Yb


species: Eu Mn


species: Ho Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Yb Zn

species_pp: Yb Zn


species: O Pb

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Ce Co

species_pp: Ce Co


species: Co Pr

species_pp: Co Pr


species: Er Sm


species: Fe Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Pr

crystal_class: dihexagonal-dipyramidal


species: Ni Pr


species: I In


species: I Sb

species_pp: I Sb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: I Ni


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e g


species: Cu Sc

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hf Zn

Wyckoff_letters_orig: b f


species: Ir Tc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb Re

Wyckoff_letters: c c


species: Fe Pd


species: La Ni

crystal_class: tetrahedral


species: Pd Y


species: Cd Cs

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: V Zr


species: Ag Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag Nb


species: Hf Ta

crystal_class_orig: tetragonal-dipyramidal


species: Nb Ta


species: Tc Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Os


species: Ti Zr


species: Cr Ta


species: Rh Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nd Zn

species_pp: Nd Zn


species: Ca I

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


crystal_class: orthorhombic-pyramidal


species: Co I

species_pp: Co I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe I

crystal_class: ditrigonal-scalahedral


species: I K


species: I Li

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c f l

Wyckoff_letters: b e


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ni

Wyckoff_letters: g h


Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


crystal_class_orig: ditrigonal-pyramidal


species: Be I


species: Ag I

species_pp: Ag I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Cd I

species_pp: Cd I

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

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

crystal_class: ditrigonal-pyramidal

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


species: I Sb


Wyckoff_letters_orig: c c c c d d d

Wyckoff_letters: c c c c d d d

Wyckoff_letters: c c


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Ba I

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

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

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

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


species: Hg I

species_pp: Hg I

crystal_class: monoclinic-prismatic


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cl Nb

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ir Mn

crystal_class_orig: dihexagonal-dipyramidal


species: La Ru

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cs I

crystal_class: hexoctahedral


species: La Zr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: V Zr


species: Cr Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Ir

species_pp: Hg Ir

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Ir Zr


species: Ti Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Y


species: Re Zr


species: Cd F

species_pp: Cd F

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

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

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


species: Co F

species_pp: Co F

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters: a a a a a

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


species: S Sr

crystal_class_orig: dihexagonal-pyramidal


species: Nb W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf Mo

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Mo Ta

crystal_class_orig: hexoctahedral


species: Nb Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sb Si

species_pp: Sb Si

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd V


species: Os Ta


species: Si Te

species_pp: Si Te

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: B F

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

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

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


species: Nb Te

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a b


species: Mo Os

crystal_class: dihexagonal-dipyramidal


species: Nd Sn

species_pp: Nd Sn

Wyckoff_letters_orig: a c h

Wyckoff_letters: a c h

Wyckoff_site_symmetries: mmm mmm 2mm


species: Cu Ir

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters: f c


species: La O

species_pp: La O

Wyckoff_letters_orig: b e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b e


species: O Pb

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b


species: O Ru

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Cr


species: O Sn

species_pp: O Sn


species: Pb S

crystal_class_orig: trigonal-pyramidal


species: F Sr

Wyckoff_letters_orig: e e e e


species: Cu Fe

crystal_class_orig: diploidal


crystal_class: tetrahedral


species: Cr O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Li Tc


species: Cl Zr

crystal_class: ditrigonal-scalahedral


species: Ni Tb


species: O Zn

species_pp: O Zn


species: Ca Fe

crystal_class_orig: dihexagonal-dipyramidal


species: Fe Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Sc


species: Fe Ni


species: F Ti

Wyckoff_letters: e e e e


species: Cd O

species_pp: Cd O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ba Bi


species: O W

Wyckoff_letters_orig: a b c

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm


species: Ce S

species_pp: Ce S

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: d c c


species: Hg O

species_pp: Hg O

Wyckoff_letters: a a


species: C Cr


species: I Ti


species: I Tc

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Si

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe O

Wyckoff_letters_orig: d d

crystal_class: diploidal

Wyckoff_letters: a d


species: Li O

crystal_class_orig: ditrigonal-scalahedral


species: Ca K

crystal_class_orig: tetrahedral


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O Sc

Wyckoff_letters_orig: a d e e


species: Ge Se


species: Co Cr


species: Ho Si


crystal_class_orig: orthorhombic-bipyramidal


species: K O


species: Cu K


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Y

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i


species: Fe I


species: O Os

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f h


species: Rb S


species: Cr Mn


species: Ti Zr

Wyckoff_letters_orig: b c


species: Cr W

Wyckoff_letters_orig: b f


species: Mg S

crystal_class_orig: orthorhombic-pyramidal


species: Rh Y


species: S Ta

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d e e

Wyckoff_letters: d d e e


species: H Hf

crystal_class_orig: ditetragonal-dipyramidal


species: O Ru

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic


species: O Sr


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a a


species: Au Fe


species: Cr F


species: Cr O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: O W

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: Fe La

Wyckoff_letters_orig: a d


species: O V

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Cd O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: Co Sn

species_pp: Co Sn


species: O Pr

species_pp: O Pr


species: Fe Li


species: Ca V


species: Ge Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu O

crystal_class_orig: trigonal-trapezoidal


species: Pb Se


species: W Zr


species: Bi Sr

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Rh Y


species: Ca Co

Wyckoff_letters_orig: a h


species: Mo O

crystal_class_orig: hexoctahedral


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


species: I Mg


species: Pb Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cr Fe

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu K

Wyckoff_letters: b c


species: Cr F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: O P

species_pp: O P

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a


species: Co Cu

Wyckoff_letters_orig: a c


species: Cr Ru


species: Ca Mg


species: Ti V

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: N Pd


species: La Nb


species: I Nb

crystal_class_orig: dihexagonal-pyramidal


species: Fe Mg


species: Fe Se

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c f

crystal_class: rhombohedral

Wyckoff_letters: c f


species: Cd V

Wyckoff_letters: a d


species: Cl O

species_pp: Cl O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a


species: Li Tc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr O


species: Co O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca Cr

sg:
Pnnm #58
Immm #71
Immm #71


species: Br La

species_pp: Br La

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: F Ti

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ti Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Ti


species: S Zn


Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


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


species: Fe Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Cd Re

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: Os Pt

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F V


species: Cu Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: F Mg

Wyckoff_letters_orig: c c


crystal_class: hexoctahedral


species: O W

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c c


species: Ge O


species: Ca Co


species: Ca Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: As Hf

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: a c i i i i i i

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

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i

Wyckoff_letters: a d i i i i i i

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


species: Mo N

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Co Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mg O

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Ti

crystal_class: ditetragonal-dipyramidal


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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: a e


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co W


species: In O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Ca Ni

Wyckoff_letters: a d


species: O Tc

Wyckoff_letters_orig: a b b


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Eu O

species_pp: Eu O


species: F V

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: Co Sc


species: Cu W


species: Ni O

crystal_class: tetragonal-dipyramidal


species: Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co Th

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Fe W

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a e i


crystal_class_orig: ditrigonal-dipyramidal


species: Os Tc

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: Pt Sm


species: Co Fe

crystal_class_orig: ditetragonal-dipyramidal


species: Co Mo


species: Co W


species: Cr Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cr Mo

Wyckoff_letters_orig: a f


species: Cr Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Zn


species: Mn Ni


species: Mn Zn


species: Ti W


species: Ti Zn


species: Cr Ti


species: Cu Mo

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Ti

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mn V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mo Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: V W

crystal_class: tetrahedral


species: V Zn


species: F Nb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Ho


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters: a d


species: Hg K

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hg Se

species_pp: Hg Se

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cl Ta


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Nb Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Pb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti Yb


species: Pm Zn

species_pp: Pm Zn


species: Ce Dy

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i a


species: Ce Cu


species: Ce Pm

species_pp: Ce Pm


species: Ho Mn


species: Mn Tb


species: Ni Pm


species: Pr Sm


species: Al I

species_pp: Al I


species: Ba I


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I In


species: I Sr


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Au Hf


species: Cu Pm


species: Hg Zr


species: Os Zr


species: I Tc

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


species: Ag Hg

species_pp: Ag Hg

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h


species: Cd V


species: Hf Ti


species: La Os


species: Hf Rh


species: Re W

crystal_class_orig: tetragonal-dipyramidal


species: Cu Re

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Ir

Wyckoff_letters_orig: a h


species: Ti Zr


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Re Ta


species: Ag V


species: Rh Zn


species: Ca I

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Fe I


species: I Li


species: Be I

Wyckoff_letters_orig: c c


species: I Zr

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Cd I

species_pp: Cd I


species: I In


species: I Sb


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg I

species_pp: Hg I


species: Ag Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Tc Y

Wyckoff_letters_orig: a c


species: Cu I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


species: I Sr


species: Co Y

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu La


species: Ga O

crystal_class_orig: diploidal

Wyckoff_letters_orig: a d

crystal_class: diploidal

Wyckoff_letters: a d


species: Ir Y


species: Mn Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Ru


species: Cd La

species_pp: Cd La


species: Hf Rh


species: Mo Re

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo Tc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Os Rh


species: Pd Se


species: Sc Se

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a a b b b

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b

Wyckoff_letters: a a a b b b

Wyckoff_site_symmetries: m m m m m m


species: Hg Mn


species: Hf W


species: Mo Ta

crystal_class_orig: hexoctahedral


species: Ta Zr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Hf Mo


species: Nb Ti


species: Ta W


species: Hf Pd


species: Cu Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Gd O

species_pp: Gd O

Wyckoff_letters: i i i


species: Co Hg

species_pp: Co Hg


species: Fe Hg


species: Tc Zr


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ta Tc


species: Hg Y


species: Sr Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pr

species_pp: O Pr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Bi Cu

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cr Mg


species: F Ir

species_pp: F Ir

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: K O


species: F V

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Dy O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c


species: Rh Te


species: Cd Mn


species: O Ti

Wyckoff_letters_orig: i i j k

Wyckoff_letters: i i j k


species: F Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c


species: Al Y


species: Si Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Re


species: O Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Fe

crystal_class_orig: dihexagonal-dipyramidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d


crystal_class_orig: ditrigonal-pyramidal


species: Re V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: d c f

Wyckoff_letters: d c f


species: Ca K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Nb Ni

crystal_class_orig: ditrigonal-scalahedral


species: Ca Fe

crystal_class_orig: orthorhombic-bipyramidal


species: Cu K


Wyckoff_letters_orig: c c


species: O Sc


species: Mg Te

crystal_class: ditrigonal-pyramidal


species: Ca F