species: Fe O

crystal_class: ditetragonal-dipyramidal


species: I Mn

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: m n

Wyckoff_letters: b c

Wyckoff_site_symmetries: m m


species: I Tc

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-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

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_relax: a c/a


species: K O

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

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_family: tetragonal

crystal_system: tetragonal

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

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ta Y

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral


species: B Fe

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: g g

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

Wyckoff_letters: g g


species: In Pr

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cu La

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: As K

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a a

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


species: Hf Tc

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

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

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: c f


species: O Sr

sg:
Iba2 #45
Ibam #72
Ibam #72

sg2:
Iba2 #45
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: c c

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: j j


species: Cr Mg

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral


species: Cd V


species: Ba S

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC


species: Cr Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: Li Mo

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 W

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a


species: O Ru

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Fe O

crystal_class_orig: dihexagonal-dipyramidal


species: Dy Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Pd

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: O Si

species_pp: O Si

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

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

Wyckoff_letters_orig: i i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

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

Wyckoff_letters: i i i i i i i


species: I Mn

crystal_class_orig: hexagonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: hexagonal-trapezoidal

point_group_type: enantiomorphic

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: O Os

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f


species: Br Pr

species_pp: Br Pr

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Os Ta


species: Au Ta


species: Cr F

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_superlattice_lattice_type: BCT


species: O Zn

species_pp: O Zn

Wyckoff_letters: d d


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a


species: Ca Zn


species: Pb Te

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


species: Fe K

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Fe W


species: Au Sc

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ni Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Sr


species: Mn O


species: Li O


species: W Zr


species: Fe O

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: a b b


species: Ca V

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Ga Pt


species: Fe Li

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: I Nb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Ti

Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d d

Wyckoff_letters: c d


species: Ge S

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: Mo Zr


species: Li Ni


Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ca Li


species: O Ru

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


species: Hg Ru

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

aflow_prototype_params_list_relax: a b/a c/a x2


species: Au Mn


Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: Co Ni

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Zn

species_pp: F Zn

crystal_class: dihexagonal-pyramidal


species: P Sr

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: I Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Li Sn

Wyckoff_letters: c c


species: Cd Zn

species_pp: Cd Zn


species: Co K


species: Cd Y


species: O Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Co Sc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Nb

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a c/a z3


species: K Li


species: F Mn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a d g h


species: Mn O

Wyckoff_letters_orig: e e


species: Ag Bi


species: Sn Te

species_pp: Sn Te


sg:
Pnma #62
Pnma #62
Cmce #64


species: S Zn

species_pp: S Zn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Fe Hf

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Mn


species: O Ru

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ag Rh


species: F Ni


species: Cr Mg


species: Ca Pb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K Pb


species: Li Pb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Rb

Wyckoff_letters_orig: c c


species: Co Cr


species: Co Mo


species: Cr W

crystal_class_orig: diploidal

crystal_class: diploidal


aflow_prototype_params_list_orig: a c/a z3


species: Co V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Ti


species: Cu Ti

crystal_class_orig: ditrigonal-scalahedral


species: Cu Zn


species: Fe V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Mn V

crystal_class_orig: hexoctahedral


species: Mo Zn


species: Ni Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Mn

crystal_class_orig: tetrahedral


species: Cr Ni


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Mo


species: Fe Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Ti


crystal_class_orig: orthorhombic-bipyramidal


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: V Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Pb


species: Cl Nb

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: e f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Hg In


species: Hg K


species: Hg Li


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Li


species: Li Rb


species: Nb Pb


species: Nb Rb


species: Ca Nb


species: Pb Ta


species: Cl Cs


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: a a


species: Cu Tb


species: Fe Nd


species: Ho Pm


species: V Yb


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Dy Ti


Wyckoff_letters_orig: a h


species: Nd Zn

species_pp: Nd Zn


species: Co Tb


species: Fe Ho


species: O Pb

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Ce V


species: Ce Ti

Egap_DOS_type: metal

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Cr Er


species: Cr Yb


species: Cu Sm


species: Eu Tb


species: Fe Pm


species: Ho V


species: Cr I

Egap_DOS_type: insulator

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters: a a


species: Cd I

species_pp: Cd I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Ag Sc


species: Cr Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Zr


species: Ir Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn Ru

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Rh


species: Hf Pt


species: Hf Ti


species: Cd Y


species: Co Ir

species_pp: Co Ir

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Co Y


species: Nb V


species: Pd Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Rh Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe La

crystal_class: orthorhombic-bipyramidal


species: Mo Sc


species: Mo Ta

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hf Zn


species: Cu La


species: Cu Ru

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: Ca I


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cr I

crystal_class: hexoctahedral


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe I


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: I K


species: I Li

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: I Ni

Egap_DOS_type: half-metal


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Si

species_pp: I Si


species: I Zr

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: Cd I


species: I Sb

species_pp: I Sb

crystal_class: ditrigonal-scalahedral


species: Ba I

aflow_prototype_params_list_orig: a b/a c/a x2


species: Hg I

species_pp: Hg I


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


species: I Pb


species: Cu I

Wyckoff_letters_orig: a a

crystal_class: triclinic-pinacoidal


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Ga I


species: I Sr

Wyckoff_letters: a a


species: Ta W


species: Ag W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Nb


species: Os Pd


species: Bi Cs


species: Re Rh


species: Be F

crystal_class: tetrahedral


species: Cd Pd


species: Cd Rh


species: Co Sm

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Hf


species: Cu Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf La

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Pt

species_pp: Ag Pt


species: Mo Pd


species: Ti Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf W


species: Ta Zr


species: Hf V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Nb


species: Hf Ta


species: Hg Mo


species: La Rh


species: Ag Zn

species_pp: Ag Zn


species: Cr Nb


species: Cu Hf

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


species: Ni Os


species: Au Os


species: Ir Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: As Cr


species: Au Zr


species: Hg V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sn Sr


species: O Sn

species_pp: O Sn

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: O V

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


species: Br P

species_pp: Br P


species: F Sc

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Zr


species: O Os


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cd Pt

species_pp: Cd Pt

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Ni Ti

Wyckoff_letters_orig: d i

Wyckoff_letters: a f

Wyckoff_letters: b f


species: Cu I


species: Pd Re


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Li Mg


species: Fe Zn


species: Au F

species_pp: Au F

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


species: Cd Cr

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_relax: a b/a c/a x3


point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cr Y

Wyckoff_letters_orig: c i


species: In O


species: Mo Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Pb

crystal_class: ditrigonal-pyramidal


species: Ca Mg


species: B Os

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F V


species: Ca F


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: F Fe

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e g


species: Pd Zr


species: F Mg

crystal_class_orig: ditrigonal-pyramidal

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: O W


species: I Tc


species: Ce Te

species_pp: Ce Te


species: O Pt

species_pp: O Pt

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: Pb S


species: As Hf

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


sg:
Pnma #62
Cmcm #63
Cmcm #63


species: Ca Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


sg2:
Pbcn #60
Pbcn #60
Pbcn #60

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: I V

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Co Hg

species_pp: Co Hg


species: Cd Hf


species: I Ti


species: Os Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe W


crystal_class_orig: ditrigonal-dipyramidal


species: Ir Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pb Te

Wyckoff_letters_orig: a a


species: Fe V


crystal_class_orig: monoclinic-prismatic


species: Br Tb

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m


species: K Mg

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Fe


species: Te Tl

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: a b i

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Ag Cl

species_pp: Ag Cl

crystal_class_orig: ditetragonal-dipyramidal


species: Ir Ti


species: O Sn

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: Pt Rh

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cd Sr

Wyckoff_letters_orig: c l


species: I Nb

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c


species: F Ti

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Cu O

crystal_class_orig: trigonal-trapezoidal


species: V Zr


species: Al Zr


species: Ir V

Wyckoff_letters: c e d


species: Cl Ga

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Rh

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m m


species: Nb Rh


species: Cr O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Li Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Si

species_pp: O Si


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Sc Ta


species: I Ta

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Ca O


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a a


species: Hg Re


species: O Pb

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


species: H Ni

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a n

Wyckoff_letters_orig: n n

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a n

Wyckoff_letters: n n


species: Pt Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: hexoctahedral


species: Re Ta


crystal_class_orig: ditrigonal-scalahedral


species: F Mn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ge S


species: Hg Sc


species: Pd Ti


species: Fe Se

crystal_class_orig: diploidal

crystal_class: diploidal


species: Dy O


species: Se Sn

species_pp: Se Sn


species: Ca Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

Wyckoff_letters: a d


species: Cu Li


species: Ca V

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Ca K


species: Cr K


species: Ag Co

species_pp: Ag Co

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Li Zn


species: Cr Li

crystal_class_orig: dihexagonal-dipyramidal


species: I V

Wyckoff_letters_orig: e e


species: Mn W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Zr


species: Cu La

crystal_class_orig: orthorhombic-pyramidal


species: Cr O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: I Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Cu O


species: Mn O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: O Sc


species: O W

Wyckoff_letters_orig: a d


species: Ta Zr


species: I Li


species: Cu Mg


species: I Mg


species: Cr Mg


species: Ca K


species: Sb Ti

crystal_class: ditetragonal-dipyramidal


species: Ge Ir


species: Mo Sc


species: Cd F

species_pp: Cd F

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-prismatic


species: Au Ti

crystal_class: dihexagonal-dipyramidal


species: Hg La

species_pp: Hg La


species: Re Rh

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Os Y


species: Nb O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d d d


species: O V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: f f e

Wyckoff_letters: f c


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ru W


species: B H


species: W Zn

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O W

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h h


species: I Tc


species: Co F

species_pp: Co F

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Nb Ru

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: e e e


species: O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu K

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Au Tc

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Te Zn

species_pp: Te Zn


species: Pt Ti

crystal_class: hexoctahedral


species: Cr F

sg:
Cmcm #63
Fmmm #69
Fmmm #69


species: Cd F


species: Cu F


species: Cu Mn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Hf

crystal_class: ditrigonal-scalahedral


species: Ca Pb

crystal_class_orig: ditrigonal-dipyramidal


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K Pb


species: Li Pb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg Nb


species: O Ta

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i


species: Nb Ta


crystal_class: trigonal-trapezoidal


species: Cu V


species: Mo Ni

Wyckoff_letters: a b


species: Co Cu


species: Co V

Wyckoff_letters_orig: c d


species: Cr Fe


species: Cu Fe


species: Cu Zn

sg:
Pnma #62
Pnma #62
Pnma #62


species: Fe Zn

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


species: Mo Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ti V

crystal_class: tetrahedral


species: Co Cr

crystal_class_orig: monoclinic-prismatic


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Mo

Wyckoff_letters_orig: a b


species: Co Ni


species: Cr Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Zn

crystal_class_orig: dihexagonal-pyramidal


species: Cl Nb


species: O Pb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b c c c c


species: F K


species: Hg Li


species: Hg K


crystal_class_orig: ditetragonal-dipyramidal


species: Hg Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cs K


species: K Ta


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Nb Pb


crystal_class_orig: hexoctahedral


species: Pb Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Rb Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Nb


crystal_class_orig: ditrigonal-scalahedral


species: Cl Mg


species: Ca Cl

sg:
Pbcn #60
Pbcn #60
Pbcn #60


sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Pb


species: Eu Fe


species: Ho Zn


species: Fe Pr


Wyckoff_letters_orig: d b i

Wyckoff_letters: a d i


species: Sm Tb


species: Tb V


species: Ce Ni


species: Co Dy


species: Cr Er


species: Dy Pm

crystal_class: ditrigonal-dipyramidal


species: Dy Zn


species: Er Pr


species: Gd Ti


species: Ni Pm


species: Pr Zn

species_pp: Pr Zn


species: Ge I

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: I Sr


species: Hf Ta


species: Hg Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd Fe


species: Co Y

crystal_class_orig: tetrahedral


species: Nb Sc


species: Sc Y


species: Ni O

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Mo Pt


species: Ta Ti


species: Ca I


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Fe I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: I Mg

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: I Ni

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ge I

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I In


species: I Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: b a a a a

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

Wyckoff_letters: b a a a a

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


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir Mo

sg:
Pnnm #58
Immm #71
Immm #71


species: Os W


species: Pt Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu I

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ga I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Ir Os

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Au Re


species: Co Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Sc


species: Ag Nb


species: Fe Hf


species: La Re

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a d


species: Pd Sr


species: Ag W


species: Hg Re


species: Rh W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Li

crystal_class: hexoctahedral


species: Mg Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O


species: Os Pt

crystal_class: dihexagonal-pyramidal


species: Ag Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: La Mo


species: Mo S

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Sm Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Ta


species: Ta Zr

crystal_class: ditrigonal-scalahedral


species: Ag Tc


species: Nb W


species: Ta V


species: Re Zr


species: Au La

species_pp: Au La


species: F Ru


species: Ho Tl


species: La Mn


species: Os Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au Pt

species_pp: Au Pt


species: Fe S

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: diploidal


species: Hg V


species: Ir V


species: Sn Sr


species: Os Y

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ho Mg


species: Fe Li


species: K Mg


species: Ca Fe


species: O V

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Se Sn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: tetragonal-scalenoidal


species: Cu O


species: Ag Mo


species: K O

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: O Sn

species_pp: O Sn


species: Ca Li


species: I V

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Co Nb


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ho O


species: Hf Ni

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: H Sn

species_pp: H Sn

Wyckoff_letters_orig: c c f

Wyckoff_letters: c c f


species: Os Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cd O

species_pp: Cd O

crystal_class_orig: ditetragonal-dipyramidal


species: O W

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Hg


species: Co O

species_pp: Co O

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_site_symmetries: 2/m m m m m


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: Ca Fe


species: O V


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Au V


species: Ag P

species_pp: Ag P

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

crystal_class: triclinic-pinacoidal

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


species: Cu Ti


species: O Pb


species: Li Zn

Wyckoff_letters_orig: a h


species: O Sn

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c c c c

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters_orig: i i


crystal_class_orig: diploidal


species: Ir O

species_pp: Ir O


species: Pb Te


species: Ir Pd


species: Co W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hg Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O

crystal_class: monoclinic-sphenoidal


species: F Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Pd


species: Li Ti


species: Ca O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Mo


species: O Tb

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


Wyckoff_letters: a h


species: Co Cu

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


crystal_class_orig: orthorhombic-pyramidal


species: Co Cr


species: Mg S

Wyckoff_letters_orig: i i i i


species: N O

species_pp: N O


species: O Pt

species_pp: O Pt

crystal_class_orig: monoclinic-domatic

crystal_class: ditetragonal-dipyramidal


species: Cu Dy

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: In Se


Wyckoff_letters_orig: k p

Wyckoff_letters: k p


species: Ca F


species: Cr O


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: e e


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b b


species: Fe O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Bi Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: La Mo


species: Cr K

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Li Tc


species: Nb S


species: Ag Bi

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c c


species: F K


species: Hf O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ga Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: F Tl

crystal_class: orthorhombic-pyramidal


species: Cu Zn


species: Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: O Ti

Wyckoff_letters_orig: a c


species: Cd Ir

species_pp: Cd Ir

crystal_class: dihexagonal-dipyramidal


species: La Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class: hexoctahedral


species: Mo Se

Wyckoff_letters_orig: a d h

Wyckoff_letters: a d h


species: Mn O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g


species: Sn Te


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Hf Te

crystal_class: ditrigonal-scalahedral


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a


species: Tc Zn


species: Se Sn

species_pp: Se Sn

crystal_class: orthorhombic-bipyramidal


species: Cd Ni


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca K

crystal_class_orig: ditetragonal-dipyramidal


species: O Si

species_pp: O Si

crystal_class: tetrahedral


species: O W

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d

Wyckoff_letters: a e

Wyckoff_letters: c d


species: C Ir

species_pp: C Ir


species: Au I

species_pp: Au I


species: Hf Os

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: S Sn

species_pp: S Sn

crystal_class_orig: tetragonal-dipyramidal


species: Cr Li


species: O Ru

Wyckoff_letters: c c


Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: F Sr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Cr Mg

Wyckoff_letters: a c


species: F Tl


species: Ca Co


species: O Tc

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: Ca O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c b b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c b b b


species: F Nb


species: Pb S

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: Ni Rh


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Tb

crystal_class_orig: hexoctahedral


species: F Ni

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: I Tl

crystal_class_orig: orthorhombic-bipyramidal


species: Mo O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm


species: Ag Os

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Au Pd

crystal_class: tetragonal-dipyramidal


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Sr

sg:
Pbca #61
Pbca #61
Cmce #64

sg2:
Pbca #61
Pbca #61
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: f f


species: Sn Te

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Fe Li


species: Cr K

crystal_class_orig: tetrahedral


species: O Pd


species: Be Ti

Wyckoff_letters_orig: f i j

Wyckoff_letters: f i j


species: C Li

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Ag Cr


species: I Ta

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Li Pb

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a d


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Rb


species: O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: W Zn


species: Co Cu


species: Co Mn


species: Co V


species: Co W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr W

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr Zn


species: Cu Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe Mo


species: Fe Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Fe V

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b


species: Mn W


species: Mo Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ni Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti V


species: Co Ti


species: Cr Fe


species: Cu Fe


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cu Mn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Mo


species: Cu W


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: c c


species: Ni W


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cl Pb


species: F Pb

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: O Pb


species: Hg In


species: Hg K

Wyckoff_letters_orig: a d


species: Ca Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Rb


species: Cs Li


species: Cs Mg


species: Mg Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Pb

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Hg Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cl Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Co V

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Er Mn


species: Ce Cu

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Cl

Wyckoff_letters_orig: f f f

crystal_class: monoclinic-prismatic


species: Cl Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


crystal_class: dihexagonal-dipyramidal


species: Cu Ho

crystal_class: ditrigonal-scalahedral


crystal_class_orig: ditetragonal-dipyramidal


species: Cu Sm


species: Er Ho


species: Er Ni


species: Fe Tb

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: Ho Ti


species: Mn Tb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: Cd I

species_pp: Cd I

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: Hg I

species_pp: Hg I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


sg2:
Ibam #72
Ibam #72
Ibam #72

crystal_class: orthorhombic-bipyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Pd

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Dy Ho


species: I Tc

crystal_class_orig: hexagonal-pyramidal


species: Nd Zn

species_pp: Nd Zn


species: Ta Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Ta

Wyckoff_letters: a e


species: Sc Zr


species: Cr Zr


species: Hg Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: La Ta


species: Ag Nb


species: Ta V


species: Cd Os

Wyckoff_letters_orig: a c


species: Nb Zn


species: Fe Hf

Wyckoff_letters: b c


species: Fe Ru


species: Hf Pt

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: La Tc

Wyckoff_letters_orig: a e


species: Mn Rh


species: Mo Y


species: Rh Zn


species: Ag Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Tc


species: Hg Ni


species: Ru V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a a a a


species: Cr I


species: Fe I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a


Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: I K


species: I Li

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: I Ni


species: Be I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


Wyckoff_letters_orig: b c i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: b c i i i i i i


species: Hg I


Wyckoff_letters_orig: c c c

Wyckoff_letters: a c

Wyckoff_letters: c c c


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Fe Nd


species: Os Rh

crystal_class_orig: ditrigonal-dipyramidal


species: Re Ru


species: Cu I


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: I Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


crystal_class_orig: hexoctahedral


crystal_class_orig: monoclinic-domatic


species: Ga I

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I Sr


species: Au Ru


species: Hf Ru

Wyckoff_letters_orig: a d


crystal_class_orig: orthorhombic-bipyramidal


species: La Nb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ru Y

Wyckoff_letters_orig: e e


species: Mn Ta


species: Mo Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Os Re

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ru Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Sc W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Cr

Wyckoff_letters: a d


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Ni


species: Nb Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Hg

species_pp: Cd Hg

crystal_class_orig: dihexagonal-dipyramidal


species: Hg Mn


species: La Os


species: Pd Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag V


species: F Fe

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hf V

Wyckoff_letters: a c


species: Mo Nb


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Ti


species: Cd La

species_pp: Cd La


species: Cu Rh


species: K Mg

Wyckoff_letters: e e


species: Ag Te


species: Fe La


species: Pr Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ba O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e


species: Zn Zr


species: Cr Ti


species: Ca Cu


Wyckoff_letters: a e


species: Pb S

crystal_class_orig: orthorhombic-pyramidal


species: Sn Te

species_pp: Sn Te

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Au Co

species_pp: Au Co

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr La


species: Cr Te

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: b a

Wyckoff_letters: f e e f


species: O V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Au Ir

species_pp: Au Ir

crystal_class_orig: ditetragonal-dipyramidal


species: I Nb

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i a


species: Ga Se

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a a b b b

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: Au Fe

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Ca V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ni


species: Cd Pd


species: Ca Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Sc

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Ag Pd

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Sr


species: Ca Ni


species: O Si

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Cs Pb


species: Fe N

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: O Sn

species_pp: O Sn


species: Se Sn

species_pp: Se Sn


species: Li O

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

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


species: O Zr

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca O

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: O W

sg:
Pmmn #59
Pmmn #59
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


species: Pd Te


species: Pt V


species: Pb S

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: H Sb

species_pp: H Sb

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Pd


species: O Tc

Wyckoff_letters_orig: e e


species: O Sc

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Cr Y


species: Fe Ni


species: Rh V


species: Ni Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Mn


species: F V

Wyckoff_letters_orig: h h i

Wyckoff_letters: h h i


species: Cr Ru

Wyckoff_letters: c c


species: Rh Zn


species: Fe O


species: La Si

species_pp: La Si

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b b

Wyckoff_letters: b b


species: Re W


species: Os W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Nd

species_pp: Cl Nd

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: K O

sg:
Pbca #61
Cmce #64
Cmce #64


species: O W

Wyckoff_letters: e e


species: Hg Rh


species: Cu Sc

crystal_class_orig: ditrigonal-scalahedral


species: Pt Tl

Wyckoff_letters_orig: b c f

Wyckoff_letters: b c f


species: Li Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Te Yb

species_pp: Te Yb


species: Ga P

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Ti


species: Ni Ta


species: Li Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a b

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: h a


species: Cu W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca O

crystal_class_orig: hexagonal-trapezoidal


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Co O

species_pp: Co O


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: Cr Ni


species: Li Si

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

Wyckoff_letters_orig: e e g f

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

Wyckoff_letters: e e g f


species: Ag Bi

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

Wyckoff_letters_orig: c d

Wyckoff_letters: a e


species: F Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co W


species: Li Ni


species: Ca Ti


species: O Ru


species: Au Ti


species: P S

species_pp: P S

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters: e e e e e e e e e


species: Mo O


species: C Sr


species: O Pd


species: O Sc

Wyckoff_letters_orig: a a


species: Ba Si

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c c d e e e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: c c d e e e


species: O Ti

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Co Mg


species: P Th

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ti


species: Cr Mg

crystal_class_orig: hexoctahedral


crystal_class: dihexagonal-dipyramidal


species: Co Fe


species: V Zr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Au O

species_pp: Au O


species: Ca Li


species: Fe Mg


species: O Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co F

Wyckoff_letters_orig: a c g h

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: a c g h

Wyckoff_letters: i i i j j j


species: O Ru

Wyckoff_letters: b a


species: Cr O


species: Hg N

species_pp: Hg N

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Hg Pd


species: Au Nb

Wyckoff_letters_orig: a e


species: Ni Si

crystal_class_orig: orthorhombic-bipyramidal


species: Bi O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Er Si


species: O Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


species: Li V


species: I Ti

crystal_class: hexoctahedral


species: Cd Hg

species_pp: Cd Hg


species: O Sn


species: Ir Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Sc

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
C2 #5

Wyckoff_letters_orig: c c d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c g


species: Ga Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ti

crystal_class_orig: trigonal-trapezoidal


species: Se Sn


species: O Zr


species: I Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Mo

crystal_class: ditrigonal-scalahedral


species: Mg Si


species: N Zn

species_pp: N Zn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Re


species: Co W

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mn O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g


species: N Ta

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Ca Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Pt


species: O Tb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir La

species_pp: Ir La


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ca Ga


species: Cl La

species_pp: Cl La


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: K O


species: Pd Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Li


species: Cd Cs


species: Mo O


species: Bi O


species: Fe Mg


species: Hg Nb


species: La Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ti V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: C Zr

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li Zn

Wyckoff_letters_orig: a c


species: Fe K

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Re Ti


species: Mg Pb


species: Cs O


species: Cl Ga

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a a

Wyckoff_letters: a a a


species: Co Fe


species: Co Ni


species: Co Zn

species_pp: Co Zn


species: Cr Ni

Wyckoff_letters: a c


species: Cr V

Wyckoff_letters: b f


species: Cu Fe


species: Cu Mn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cu Zn


species: Mo Zn


species: Ti W


species: W Zn


species: Co Cu

Wyckoff_letters_orig: c f


species: Co V


species: Cr Fe

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Zn


species: Cu V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe Ti


species: Fe W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn V


species: Mn Zn


species: Mo Ni

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Ti


species: O Pb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hg Ho


species: Hg Li

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


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


species: Hg Mg


species: Hg Te

species_pp: Hg Te


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Mg


species: Ce Fe


species: Pr Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pr V


species: Eu Zn

species_pp: Eu Zn

Wyckoff_letters: b c


species: Ho Zn


species: Ce Cr


species: Ce Ni


species: Ce Tb


species: Ce Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Sm


species: Cr Eu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Pm


species: Cu Er

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho Yb


Wyckoff_letters_orig: a c


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cs I


species: I In


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn


species: I Zn

species_pp: I Zn

sg:
Ibca #73
Ibca #73
Ibca #73

Wyckoff_letters_orig: f f f e e f f f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f e e f f f f

Wyckoff_letters: f f f f


species: Fe Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Nb


species: Os Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Cd Tc

Wyckoff_letters: a c


species: Cu Tc


species: Hg Sc

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ir Pt

species_pp: Ir Pt


species: Os Ru

Wyckoff_letters: c e d


species: Fe Pd

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Zr


species: Mn Sc

Wyckoff_letters: a h


species: Ag Bi


species: Pd Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Rh Sc

Wyckoff_letters: b d


species: Au Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu La

Wyckoff_letters_orig: a e


species: Pt Rh


species: Nd Tb


species: Cd Y

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Ta


species: Co I

species_pp: Co I

crystal_class_orig: monoclinic-domatic


species: I K


species: I Li

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ag I

species_pp: Ag I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ba I


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: i i


species: Re Tc


species: Cu I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Os Tc


species: Co Pt

species_pp: Co Pt


species: Pr V


species: Co Rh


species: Ge Te

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Au Mo


species: Os W


species: Rh Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Au Cd

species_pp: Au Cd


species: Hg Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sc Zr


species: Y Zr


species: V Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hf Mo


species: Nb Zr


species: Hf W


species: Mo Ta


species: Mo Zr

crystal_class_orig: ditrigonal-scalahedral


species: Au Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Cr


species: Co Eu

species_pp: Co Eu


species: Hg Ta

Wyckoff_letters_orig: b d


species: Ag Bi


species: Hf Hg


species: Ag Ir

species_pp: Ag Ir


species: Cd Pd


species: Re Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Ru


species: Ru Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ca Mg


species: Hf Ir


species: Cl Eu

species_pp: Cl Eu

crystal_class_orig: hexagonal-dipyramidal


species: Ge S

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ir Zn

species_pp: Ir Zn


species: O W

sg:
Pba2 #32
Pbam #55
Pbam #55

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

Wyckoff_letters_orig: a c c c c c c c c

Wyckoff_letters: a c c c c c c c c


species: Ni O


species: O Y


species: Br Tc

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mn O

Wyckoff_letters: j h


species: I V

Wyckoff_letters_orig: e e


species: Fe Re


species: Hf N

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: a i i i i i

Wyckoff_letters: i i i i i i


species: Sc Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Sr


species: Mg N

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ga P

crystal_class_orig: hexoctahedral


species: Ca F


species: Mo O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: F Fe

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: I Mg


species: Co Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ag Co

species_pp: Ag Co

crystal_class_orig: orthorhombic-bipyramidal


species: Mo Pd


species: La V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Ti


species: Be 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: Ag Eu

species_pp: Ag Eu

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Cd Cr

crystal_class_orig: dihexagonal-dipyramidal


species: Cr Sc


species: Nb O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Bi Ti


species: Ca Ge

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Mg O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: F Tl

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: O Pr

species_pp: O Pr

crystal_class_orig: tetrahedral


species: Os Zn


species: Cl Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca K


species: K Mg


species: Cu F


species: O Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Ru Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Li

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Hf P


species: Te W


species: F Li


species: O Re

Wyckoff_letters_orig: a f h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f h


species: Hf Os


species: F Mn


species: Ca Mn


species: Cr Hg

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Ca Ti


species: Fe O


species: Ca Cu


species: Co K

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Hf

crystal_class: hexoctahedral


species: O W

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Cr K

sg:
Pnma #62
Pnma #62
Imma #74

crystal_class: orthorhombic-bipyramidal


species: Cu Ti


species: Co S

species_pp: Co S


species: Si V

Wyckoff_letters_orig: e f h m

Wyckoff_letters_orig: e g k m

Wyckoff_letters: e f h m

Wyckoff_letters: e g k m


species: F Ni


species: Au Tb

Wyckoff_letters_orig: c e i j j

Wyckoff_letters: c e i j j


species: Li V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Co Os


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cu Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Hg

sg:
Pnma #62
Pnma #62
Pnma #62


species: Ca Co


species: Cu F


species: Pb S


species: Mn O


species: B O


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Pd

Wyckoff_letters_orig: a b


species: Hf Ti


species: Ir O

species_pp: Ir O


species: Pd Rh


species: Li O


species: O Sc


species: I V


species: N W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: B H

crystal_class_orig: orthorhombic-pyramidal

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

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

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a 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


species: K Li

crystal_class: tetrahedral


species: Os Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Mg

crystal_class: tetragonal-dipyramidal


species: Ca K

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Mn Zn


species: Pb Se

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Zn


species: Mn Ru


species: Eu O

species_pp: Eu O


species: Ca Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Zn


species: La Tc


species: O Rh


species: Ca Fe

crystal_class: ditetragonal-dipyramidal


species: In O


species: I Nb

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Rh

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Co F

species_pp: Co F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: O Ru

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a


species: Ir O

Wyckoff_letters: a b


species: Ag Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: I Tc


species: I Mg


species: O Pd


species: Mo Os


species: W Zr


species: I Mn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Co O

species_pp: Co O


species: Os Pd

crystal_class_orig: hexoctahedral


species: Ti Zn

sg2:
Pnnm #58
Immm #71
Immm #71


species: Pr Se

species_pp: Pr Se

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Tc


species: I Ti


species: I Li


species: Mn O

Wyckoff_letters_orig: b c d

Wyckoff_letters: b c d


species: F Zn

species_pp: F Zn


species: O Pt

species_pp: O Pt

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: O W

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Mo Ti


species: Mo O


species: Al Re


species: O Sr


species: Ca Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Li


species: Nb Te


species: C Cr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Sb


species: Fe Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ir O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li V


species: I Ti

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: c i i i


species: F Hf

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Bi O


species: Ca Co

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: Ca Cu


species: Cr Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn O


species: I V

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Ca F


species: Cr Fe

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Mn


species: Mg Nb


species: Co Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Mn


species: Cr Mo

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Ni


species: Mo Ti


species: V W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr W


species: Cu W


species: Cu Zn


species: Fe W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Zn


species: Mo Zn


species: Ni Ti


species: Ti W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: V Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cl Nb

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Pb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Hg Ho


species: Hg In

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg O

species_pp: Hg O


species: Hg Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Te

species_pp: Hg Te


species: Ca Cs

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cs K


species: K Ta


species: Cl Ta


species: Tb Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Pr

species_pp: Co Pr


species: Nd Ti

crystal_class_orig: dihexagonal-dipyramidal


species: Er Ni


species: Cu Pr


species: Ce Cr


species: Ce Zn

species_pp: Ce Zn


species: Co Nd

species_pp: Co Nd


species: Cr Gd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Dy


species: Fe Sm


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


crystal_class: monoclinic-prismatic


species: Cr Tc


species: Cu Hg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: H Ta


species: Os Y


species: Pd Y


species: Pd Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cd Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Sc


species: Ag Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Y


species: Hf Sc


species: La Mo


species: Pt Re


species: W Y

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ag Ir

species_pp: Ag Ir


species: Hf Ru

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir Tc


species: Ir Zn

species_pp: Ir Zn


species: Ni Zr


species: Re Zn


species: Au Zn

species_pp: Au Zn


species: Mn Nb


species: Sc Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Au Fe


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mg O


species: Co Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Pt

crystal_class_orig: dihexagonal-pyramidal


species: Os Zn


species: Ca I

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co I

species_pp: Co I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: Fe I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: a d c

Wyckoff_letters: c h


species: I K


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Mg

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: I Ni

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters: f i


species: Ag I

species_pp: Ag I

sg:
Pbca #61
Pbca #61
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sn


species: Ba I


species: Ni Sc


species: Tc Ti


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Au Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Nb


species: Hg Tc

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Au Co

species_pp: Au Co


species: Hg Pt

species_pp: Hg Pt

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

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

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Mn Pr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Y

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Au Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cd Fe


species: Re Ta

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Cu Os


species: Hf Ti


species: Cu La


species: Os Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta V

crystal_class_orig: diploidal


species: W Zr


species: Hf Mo


species: Hf Zr


species: Ce Cu


species: Y Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ag V


species: Mn Sm


species: O Tb

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Sc V


species: Co Nb


species: Co F

species_pp: Co F

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: La O

species_pp: La O


species: Co Ta


species: Mg O

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: I Nb


species: Gd Tl


species: Re Rh

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Zr


species: Pd Y


species: O Rh

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Ni O


species: Cd Ir

species_pp: Cd Ir


species: K Li


species: F Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ca Co


species: Ca O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a


species: O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Mn O


species: B Cr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Cl S

species_pp: Cl S


species: O W


species: Cu Sc


species: K N

crystal_class: orthorhombic-bipyramidal


species: Hf Re

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co K

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe Ni

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Au Zr


species: Ag Hf

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: I Tc

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Li Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Ca V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O Sr


species: Co O

species_pp: Co O

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Pd Sc


species: I Ti


species: O Os


species: La O


species: Sn Te

species_pp: Sn Te

crystal_class: dihexagonal-pyramidal


species: Ni Zn


species: Ca Fe


species: Co K


species: K Mg


species: Mg O

Wyckoff_letters_orig: i i i


species: Pd Y


species: I Tc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: Au Dy


species: Ca K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mg

Wyckoff_letters_orig: a h


species: F Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Fe O


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe Se


species: Si V

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Co O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: Sc W


species: Al Fe


species: Se Sn

species_pp: Se Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Cu K


species: O V


species: Dy Os


species: K Mg


species: Li Mn

crystal_class: ditetragonal-dipyramidal


species: Ca Co


species: Mn Ti


species: O Ru

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Li Mg


species: Ti Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Au Ir

species_pp: Au Ir


species: K Li

Wyckoff_letters_orig: a c


species: O Sb

species_pp: O Sb

crystal_class_orig: orthorhombic-bipyramidal


species: Pd Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb P


species: Ir O

species_pp: Ir O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Rh V

crystal_class: tetrahedral


species: I Ti


species: Co Mg

Wyckoff_letters_orig: a d


species: Cd Cs

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca K


species: Mo W


species: O Ti

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a b c d

Wyckoff_letters: a b c d


species: I Mn


species: Ag Ru

Wyckoff_letters: a d


species: Ca O


species: Cd Mn


species: Mo O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f


species: Cr O


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


crystal_class: tetragonal-dipyramidal


species: Al Sc


species: K Te


species: Fe K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Mn V

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Hf Mn


species: O Sc


species: O V

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Rh W


species: Al Si

species_pp: Al Si


species: H Si

species_pp: H Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e f f f f

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e f f f f

Wyckoff_letters: e f f


species: Mg O


species: Mo Rh


species: Cs Pb


species: Ca Tc


species: I Mn

crystal_class_orig: diploidal


species: I V

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Mo Zr

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: Hf O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: f g


species: Er Pt

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Mo

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Tc

crystal_class: diploidal


species: Te Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c c c c c


species: Cu Re

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class: dihexagonal-dipyramidal


species: Li Mg

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: F Hg

species_pp: F Hg

crystal_class: hexoctahedral


species: Ni Os

Wyckoff_letters: e e


species: Hg Re


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu O

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Cr O


species: O Tb

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: C Li

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Ta

crystal_class_orig: ditrigonal-pyramidal


species: F Mg

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: Ir Os


species: Co K

crystal_class_orig: tetrahedral


species: Cd Mn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: N Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cu F

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e f

Wyckoff_letters: f f f


species: Ir V

crystal_class_orig: hexoctahedral


species: Mn O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Sc Zn


species: Au Pd


species: O Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: Ir Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Gd H

species_pp: Gd H


species: I Tc

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Bi O


species: Cr Nb

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Cr Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Mg


species: K Pb


species: Li Pb

Wyckoff_letters_orig: a c


species: Mg Pb


species: Nb Ta


species: Cu Mn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Fe Mn


species: Mn Ti

Wyckoff_letters: a f


species: Co Cr


species: Co Cu


species: Cr Zn


species: Fe V


species: Ni V

Wyckoff_letters_orig: c d


species: Ti Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: V Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Mn


species: Co Zn

species_pp: Co Zn


species: Cr V


species: Cr W


species: Cu Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn W


species: Mn Zn


species: Mo Ti


species: Mo V


species: Cl Mg


species: Hg S

species_pp: Hg S


species: Hg Yb

species_pp: Hg Yb


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Pb

Wyckoff_letters_orig: i j j j k k

Wyckoff_letters: i j j j k k


species: Ca Rb


Wyckoff_letters_orig: a d


species: Nb Pb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb Rb


species: Hg Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Pb

Wyckoff_letters: f e


species: Cl Nb

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: O Sm


species: O Yb

species_pp: O Yb


species: Dy Zn


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: f g j i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: f g j i


species: Dy Mn


species: Er Ni


species: Tb Zn


species: Fe Pr


species: Fe Tb

Wyckoff_letters: a d


species: Ce Ti


species: Co Ho


species: Dy Ni


species: Sm V


species: Cr I

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cd I

species_pp: Cd I

crystal_class: ditrigonal-scalahedral


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: Hf Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Nb

crystal_class_orig: dihexagonal-dipyramidal


species: Mn Os


species: Mo Pd


species: Ag Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Nb


species: Cd W


species: Co Os


species: Ho Yb


species: Pd Zr


species: Ir La

species_pp: Ir La


species: Cr Rh

Wyckoff_letters_orig: g f


species: Fe O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: H Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Rh

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: La Mn

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

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Os Zr


species: Ca I


species: Cr I

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: g f h m


species: Fe I


species: I K


sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: I Mg

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: b a


species: Be I

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a a a

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


species: Cd I


sg:
Pnma #62
Pnma #62
Pnma #62


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ba I


species: Hg I

species_pp: Hg I


species: Cd Ti


species: Co Tc

Wyckoff_letters_orig: c d e


species: Os V


species: I Zn

species_pp: I Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: g h


sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Al I

species_pp: Al I


species: Ga I

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a g i n

Wyckoff_letters: a g i n


species: Nb Zn


species: Cr Tc


species: Ni Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr O


species: Re Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Ru

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Au Hf


species: Ni Os

Wyckoff_letters_orig: c e


species: Nb Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Re

Wyckoff_letters_orig: g h


species: Hf Re

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: La Tc


species: Nb V


species: Pd Sb


species: Tc W

Wyckoff_letters: c e d


species: Hf Ta

Wyckoff_letters: c f


species: Hf W

Wyckoff_letters: b c


species: Mo Zr


species: Ta Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au La

species_pp: Au La

Wyckoff_letters: c c


species: Fe Ta


species: Hg Ru

Wyckoff_letters_orig: b c


species: Hf Mo


Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Cr Ru

crystal_class: ditetragonal-dipyramidal


species: Hf Hg

Wyckoff_letters_orig: c i

Wyckoff_letters: d i