species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal


species: O Sc Sn

species_pp: O Sc_sv Sn

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: orthorhombic

crystal_system: orthorhombic

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a d


species: Cd O Sc

species_pp: Cd O Sc_sv

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

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

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

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_relax: a c/a z3


species: Ca O Zn

species_pp: Ca_sv O Zn

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-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

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_orig: a c/a z3


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

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


species: O Sn Zn

species_pp: O Sn Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn Nb O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co O Zn

species_pp: Co O Zn

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-pyramidal

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: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

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: Co Mn O

species_pp: Co Mn_pv O


species: O Sr Zn

species_pp: O Sr_sv Zn

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m


species: Ca Fe O

reciprocal_lattice_type_orig: RHL


species: Ca O W

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-pedial

point_group_structure_orig: trivial

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Ca Mn O

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

crystal_class: ditrigonal-scalahedral


species: O V Zn

species_pp: O V_sv Zn


species: O W Zn

species_pp: O W_pv Zn

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a c i i i

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: b c i i i


species: Co O Sc

species_pp: Co O Sc_sv

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Nb O W

sg2:
I4/mcm #140
Fmmm #69
Fmmm #69

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: ORCF

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

Wyckoff_letters_orig: a h

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: f h i

aflow_prototype_params_list_orig: a c/a x4


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Cd Fe O

species_pp: Cd Fe_pv O

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Co O W

species_pp: Co O W_pv

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: g g

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: g g


species: Cr O Sr

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Ca O Zr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sr Zr


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Mn O W


species: Ge S Zn

species_pp: Ge_h S Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Mg O

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Fe O

Wyckoff_letters_orig: f f


species: Cr O Ti

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET


species: Cr Ni O


species: O Ti V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Al Cl K

species_pp: Al Cl K_sv

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: a c

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Nb O Sn

species_pp: Nb_sv O Sn

Bravais_lattice_lattice_type_orig: BCT

Wyckoff_letters_orig: a b b

Wyckoff_letters: b d


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: i i i i


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters: f f


species: Cd Mn O

species_pp: Cd Mn_pv O

reciprocal_lattice_type_orig: BCT

Wyckoff_letters: c a


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: d d


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co O Zr

species_pp: Co O Zr_sv

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

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


species: Fe O W

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Fe O Sc


species: Cd Fe O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ca O Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mn O Sr


species: Ni O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: Ni O Zr

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Mg Pb Te

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_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

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: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Mg Sn Te

species_pp: Mg_pv Sn Te


species: F Mg Mn

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Co O Ti

species_pp: Co O Ti_sv


species: Fe O Zn

species_pp: Fe_pv O Zn


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn O Zr


species: Cr O Sc

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: c g h


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Fe Mg O


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ca O Sc

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC


species: Mg Se Sn

species_pp: Mg_pv Se Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


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

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


species: O Sr Ti

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Cs I Rb


species: Li Nb O


species: Li O Ta

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: I K Rb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: H Mg Rb

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Ba Br O

species_pp: Ba_sv Br O

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

Wyckoff_letters_orig: b b b

Bravais_lattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: b b b


species: Cl Gd N

species_pp: Cl Gd N

Wyckoff_letters_orig: a c i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a b i i i i i

Wyckoff_letters: i i i


species: Cl Re Se

species_pp: Cl Re_pv Se

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Ni Sc Si

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Amm2 #38
Cmcm #63


species: O Sr V

crystal_class_orig: tetragonal-pyramidal

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

crystal_class: tetragonal-pyramidal

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


species: Pr Se Te

species_pp: Pr Se Te

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Si

species_pp: Ca_sv O Si

Wyckoff_letters_orig: a a a a a

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

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a

Wyckoff_letters: a a a a a a


species: Cu O Sc


species: I Li Ta

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e

Wyckoff_letters: a b


species: I Mg Nb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: K O Ta

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: Al Li Te

species_pp: Al Li_sv Te

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Na O Ta

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Nb O Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Na Nb


species: O Rb Ta

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: F K Pb

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e f

Wyckoff_letters: g i


species: Lu Ni Pb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: F Na Ta

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I Mo Te

species_pp: I Mo_pv Te

Wyckoff_letters_orig: e e e e e e

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

Wyckoff_letters: e e e e e e

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


species: Fe Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i


species: Cu O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


species: Ce O Zn

species_pp: Ce O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu O Tb

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cu O Sm


species: O Sm Ti

crystal_class_orig: trigonal-pyramidal

crystal_class: rhombohedral


species: O Sm V

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a c


species: Ni O Tb

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Ca Cl Cs

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ca F Nb

Wyckoff_letters_orig: d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d


species: Ho Mn O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: O Pr Ti

species_pp: O Pr Ti_sv

Wyckoff_letters: a d


species: O Tb V

Egap_DOS_type: metal

Wyckoff_letters_orig: g h k

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h k

Wyckoff_letters: f f

Wyckoff_letters: a b f


species: Er O Ti

Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h i


species: Mn O Pr

species_pp: Mn_pv O Pr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c c f f

Wyckoff_letters_orig: a f

Wyckoff_letters: c c f f

Wyckoff_letters: a f


species: Mn O Sr

Egap_DOS_type: half-metal

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: m m n n o o

Wyckoff_letters_orig: a b c e o

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-prismatic

Wyckoff_letters: n m

Wyckoff_letters: n n m m o o

Wyckoff_letters: b a e c o

Wyckoff_site_symmetries: m m m m 1 1


species: Ho O Ti

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a b b c c

Wyckoff_letters: a b

Wyckoff_letters: a b c c


species: Cs I Pb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


Egap_DOS_type: insulator

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: O Tb Zn

species_pp: O Tb_3 Zn

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a c d d d

Wyckoff_letters: a c


species: Mo Sb Se

species_pp: Mo_pv Sb Se

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Co Ni O

species_pp: Co Ni_pv O


species: Ca Mn O

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: b e


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Mg O W

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: a j

Wyckoff_letters: g h i

Wyckoff_letters: a j


species: Ca O W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Gd O Tc

species_pp: Gd O Tc_pv

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: a f


species: Fe O V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_site_symmetries_orig: m m m m


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a b i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: a b i

Wyckoff_letters: i i i i i


species: O V W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca Mg O


species: S Sn Zn

species_pp: S Sn Zn


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: O Ti Zr


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ba Ni S

Wyckoff_letters: a c


species: Co Fe O

species_pp: Co Fe_pv O


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: O Sn Sr

species_pp: O Sn Sr_sv


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class: hexagonal-trapezoidal


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb Ni O

Wyckoff_letters: b f


species: O Sc Sr

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: O Sc V

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: tetragonal-scalenoidal


species: Cd Cl Rb

species_pp: Cd Cl Rb_sv


species: Mn Nb O

crystal_class_orig: orthorhombic-bipyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Cu O


species: Co O W

species_pp: Co O W_pv

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: F Na Ni

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b d

Wyckoff_letters: e k i

Wyckoff_letters: a j


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca O Zr

Wyckoff_letters_orig: i h

Wyckoff_letters: h i


species: Cd Ni O

species_pp: Cd Ni_pv O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Ti Zr

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: O Sr V


species: Fe Mn O

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Ca O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cl Hg Ni

species_pp: Cl Hg Ni_pv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Nb O Zn


species: Mn Ni O


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O V Zn

species_pp: O V_sv Zn


species: Cu Ho S

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Fe O Zr


species: Cd Cs I

species_pp: Cd Cs_sv I

sg2:
Imma #74
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h i

Wyckoff_letters: j g


species: Mn O W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr O Sr

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Cd O

species_pp: Ca_sv Cd O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Fe O Sr


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Cr O W


species: Fe O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr O Zr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a n

Wyckoff_letters: m n n

Wyckoff_site_symmetries: m m m


species: O Ti W

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Mg O Ti

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca Mg O

Wyckoff_letters_orig: a e


species: Cd Mg O

species_pp: Cd Mg_pv O

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Nb O W


species: Ni O Zn

species_pp: Ni_pv O Zn

sg:
I4/mmm #139
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: monoclinic-prismatic


species: Co Cr O

species_pp: Co Cr_pv O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Fe Ni O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: b b

Wyckoff_letters: a b c c

Wyckoff_letters: b b


species: Ni O Sn

species_pp: Ni_pv O Sn


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: i i i

Wyckoff_letters: d a


species: Bi O Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g h i

Wyckoff_letters: e h

Wyckoff_letters: f g h i


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Fe Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: a f

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Nb O Sc

Wyckoff_letters: a c


species: O Sr W


species: Nb Ni O

Wyckoff_letters_orig: a b


species: Mg Ni O


crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Ni O

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: b g


species: Sn Te Zn

species_pp: Sn Te Zn


species: Mn O W


species: Ca O Zr


species: Cr O Ti


species: Ca O W

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Fe O W

Wyckoff_letters_orig: b c i

Wyckoff_letters: b c i


species: Nb O Sr

Wyckoff_letters_orig: d i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d i


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: F Li Nb


species: O Sc Zr

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class: dihexagonal-dipyramidal


species: O V W

crystal_class: ditetragonal-dipyramidal


species: Mn O Sc


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters: a b


species: O Sr Ti

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Fe Mn O


species: Nb O Pb

Wyckoff_letters_orig: a d d

Wyckoff_letters_orig: e i i

Wyckoff_letters_orig: b c d

Wyckoff_letters: a d d

Wyckoff_letters: e i i

Wyckoff_letters: b c d


species: Ca Co O

species_pp: Ca_sv Co O

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: e f f f

Wyckoff_letters: f f


species: Ca Ni O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ca O Sr

crystal_class_orig: ditrigonal-scalahedral


species: Cd O Sn

species_pp: Cd O Sn


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Mn O V

Wyckoff_letters_orig: g i i j

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: g i i j

Wyckoff_letters: i i


species: Cr Mg O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e g

Wyckoff_letters: a e

Wyckoff_letters: b e g


species: Fe O Sr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Fe O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: Ca O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a a a


species: O V Zr

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g g h

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g h

Wyckoff_letters: e g


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Ni O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: c h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c h


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Ni O Sc


species: Ca O Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Sc


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Ni O Zn

species_pp: Ni_pv O Zn


species: O Sr V

Wyckoff_letters: a c m


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ni O W


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c

Wyckoff_letters: i i

Wyckoff_letters: a d


species: Mn O Sr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: 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


species: Ca O Ti

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cr O V


Wyckoff_letters_orig: a d


species: Nb O W

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Fe Mn O

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Co O Sr

species_pp: Co O Sr_sv


species: Mn O Zn


species: Fe O V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sc V

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Mn O W

Wyckoff_letters_orig: a e

crystal_class: hexoctahedral


species: Cd O Sb

species_pp: Cd O Sb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Fe O P

species_pp: Fe_pv O P

Wyckoff_letters_orig: a e e e

Wyckoff_letters: a e e e


species: Fe Nb O


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters: g e


species: Ca Nb O


species: Ca O V

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cl Sb Tl

species_pp: Cl Sb Tl_d

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: a c

Wyckoff_letters: b g


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca O Sc

sg:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Cr Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Fe O

Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: d g h

Wyckoff_letters: i j


species: Fe Mn O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Cr O Sc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


crystal_class: tetragonal-dipyramidal


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: O Ti W

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mn O W


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu O Zn

species_pp: Cu_pv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c b


species: Cr Mg O


species: Co O V

species_pp: Co O V_sv


species: O Sc V

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


species: Ni O V

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O Zr

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: h g

Wyckoff_letters: g h


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mn O Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b

Wyckoff_letters: b b


species: Co O Ti

crystal_class_orig: tetragonal-dipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a d

Wyckoff_letters: b c


species: Fe O W

crystal_class: orthorhombic-bipyramidal


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Cr O W

Wyckoff_letters_orig: f f


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Mg Mn O

Wyckoff_letters: a a


species: Ca Cr O


species: Ni O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b


species: Ca O Zr


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters: c c c


species: O Ti Zr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Mg O Zr

Wyckoff_letters: i i i


species: Mn O Sc

crystal_class_orig: ditrigonal-scalahedral


species: Fe Mg O


species: Cr O Sr


species: Mg O V

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Pb S Zn

species_pp: Pb_d S Zn

crystal_class_orig: hexoctahedral


species: O Sn V

species_pp: O Sn V_sv

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Nb O

species_pp: Co Nb_sv O


species: Nb O V

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


crystal_class: ditetragonal-dipyramidal


species: Fe Nb O


species: Co Fe O

species_pp: Co Fe_pv O


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


crystal_class: tetragonal-scalenoidal


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mn O Sr


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Cd Nb O

crystal_class: ditrigonal-scalahedral


species: Ca Cr O


species: Cd Co O

species_pp: Cd Co O


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Ca O W

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a f

Wyckoff_letters: e e


species: O Ti V

Wyckoff_letters_orig: f i

Wyckoff_letters_orig: c e

Wyckoff_letters: f i

Wyckoff_letters: c e


species: Fe O Sn

species_pp: Fe_pv O Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cd O Zn

species_pp: Cd O Zn


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: Cd O V

species_pp: Cd O V_sv


species: Co O Zr

species_pp: Co O Zr_sv


species: Nb O Sc


species: Cl Pb Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg O Ti


species: Mg Mn O


species: O Sr Zr


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Mg O V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Zr


species: Mg O Sc


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: e f l


species: O Ti Zr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Mn O Tc

crystal_class: hexoctahedral


species: Ca Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Ni O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Cd O W

species_pp: Cd O W_pv

sg:
Pmmn #59
Pmmn #59
Imm2 #44

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ni O V


species: Pb Te Zn

species_pp: Pb_d Te Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ca Cr O

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a d

Wyckoff_site_symmetries: mmm mmm


species: O Ti V


species: Cr Mg O


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: diploidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d d

crystal_class: diploidal

Wyckoff_letters: a c

Wyckoff_letters: d d


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Cr Ni O


species: Al Co Fe

species_pp: Al Co Fe_pv

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: Bi O Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co Mg O

species_pp: Co Mg_pv O


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Mn Ni O


species: Mn O V

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: i i i j

Wyckoff_site_symmetries: m m m 1


species: Nb O Zr

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: O Sc Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Sr

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Mg Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Se Zn

species_pp: Pb_d Se Zn

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c d


species: Cr O Sc


species: Cu Nb O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Nb O Sr


species: O W Zr


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Fe Ni O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O Sc Sr

crystal_class_orig: ditrigonal-pyramidal


species: Mn O Ti

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V Zr


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: i i

Wyckoff_letters: b i i i

Wyckoff_site_symmetries: 2/m m m m


species: Mg O Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Cr O W

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Ca Nb O


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: a c


species: Nb O Sc

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Nb O Ti


species: Fe Nb O


species: Sn Te Zn

species_pp: Sn Te Zn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O W

crystal_class_orig: hexoctahedral


species: Mg O W

crystal_class_orig: dihexagonal-dipyramidal


species: In O Tl

Wyckoff_letters_orig: e f

Wyckoff_letters: e f

Wyckoff_letters: a c


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i i


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Cr F

species_pp: Co Cr_pv F

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ca O V


species: O Sn W

species_pp: O Sn W_pv


species: Cr Eu O

species_pp: Cr_pv Eu O


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Mn Ni O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Mn O Zr


species: Ca O Sr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I Li Nb

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Na O Pb

crystal_class: ditrigonal-scalahedral


species: Ge Li Nd

crystal_class: dihexagonal-dipyramidal


species: C Mo Sm

crystal_class: monoclinic-prismatic


species: Ni P Se

species_pp: Ni_pv P Se

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: F K Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e h h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e h h


species: O Si Y

species_pp: O Si Y_sv

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a h h i

Wyckoff_letters_orig: f h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a h h i

Wyckoff_letters: f h


species: Nd Ni Sn

species_pp: Nd Ni_pv Sn

crystal_class_orig: orthorhombic-bipyramidal


species: O Rb Ta


species: I Na Pb


species: K Na O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cs I Rb

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i

Wyckoff_letters: c i


species: Al Ni O

species_pp: Al Ni_pv O


species: Ce O Ti

species_pp: Ce O Ti_sv

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Mn O Tb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c c

Wyckoff_letters: b b c c


species: Ce Er O

species_pp: Ce Er_3 O


species: Ce Mn O

species_pp: Ce Mn_pv O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O Sm

Wyckoff_letters_orig: g h

Wyckoff_letters: e i

aflow_prototype_params_list_relax: a c/a x4


species: Ce Cr O

species_pp: Ce Cr_pv O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b b b b

Wyckoff_letters: a a

Wyckoff_letters: b b b b


species: Cr O Sm

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn O Pr

species_pp: Mn_pv O Pr

Wyckoff_letters: g h


species: O Tb V

Wyckoff_letters_orig: a c c d

Wyckoff_letters: a c c d


Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: K O Pb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Ni O


species: Cr Fe O

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: Cu O Sm


species: Ho O Zn

species_pp: Ho_3 O Zn

crystal_class: hexoctahedral


species: Nb O Sr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cr Er O


species: Co Er O

species_pp: Co Er_3 O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mg O W

Wyckoff_letters_orig: i i i

Wyckoff_letters: e e e


species: Ca O Sr


species: Mg Ni O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: monoclinic-prismatic


species: Co O V

species_pp: Co O V_sv


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters: i i i


species: Mg O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb O Ti

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cl Hf Na

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Fe O Sr


species: Ni O Zr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cr O V

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: O Sr V


species: Cl Rb Tl

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Mg Mn O


species: Mn O Sc


species: O Sc Zr


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ni O W

sg:
Cmce #64
Cmce #64
Cmce #64

crystal_class: orthorhombic-bipyramidal


species: O Sr Zr

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

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

Wyckoff_letters_orig: e e


Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Fe Mg O


species: Fe O Zr

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters: e e


species: Mn O Sr


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Sn W

species_pp: O Sn W_pv


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Co O V


species: Ca Cr O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Mg O


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O W Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O Ti


species: Cr O Sr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr Mn O


species: Pb Se Zn

species_pp: Pb_d Se Zn

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ni O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O V Zr


species: Pb S Sn

species_pp: Pb_d S Sn


species: Bi O Ti

crystal_class_orig: tetragonal-trapezoidal


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: e e


species: Ca Fe O


species: Br Cr Cs

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

Wyckoff_letters: h k


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Cl Ga K

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: O Sc Zr

crystal_class_orig: ditrigonal-scalahedral


species: O Sn W


species: Cd Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b b


species: Mg O W

Wyckoff_letters: d i


species: Ca O Sr

sg:
I4/mcm #140
Cmmm #65
Cmmm #65

sg2:
Ima2 #46
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: b h

aflow_prototype_params_list_relax: a b/a c/a x4


species: Mn Ni O


species: La Nb O

species_pp: La Nb_sv O


species: Fe O Ti


species: Ni O W


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: hexoctahedral


species: Ca O Zr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pb Sn Te

species_pp: Pb_d Sn Te


Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: O Sr Zr


species: Co Ni O

species_pp: Co Ni_pv O


species: Cl Cu Nb

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b c

Wyckoff_letters: e h i

Wyckoff_letters: b c


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c d

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma


species: Mg O Sr

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Cr Mg O


species: Ni O Sc

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Nb O Sc


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h

Wyckoff_letters: i i j


species: Ca O V

Wyckoff_letters_orig: a a a


species: Ca Mg O

Wyckoff_letters: a a a


species: Cr Nb O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Fe O

Wyckoff_letters_orig: e e


species: O Sc Ti

Wyckoff_letters_orig: a b d d d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d d d


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: dihexagonal-dipyramidal


species: O Ti W

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ti Zr


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Cd Mn O

species_pp: Cd Mn_pv O


sg:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg Nb O

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Cr O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: O V Zr


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Fe O Zr

Wyckoff_letters_orig: c e


species: O V W


species: Nb O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co O W

species_pp: Co O W_pv


species: Co Ni O

crystal_class: ditrigonal-scalahedral


species: O Sn Ti

species_pp: O Sn Ti_sv


species: O Sr V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Li O Ta

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b i i i

Wyckoff_letters: a c

Wyckoff_letters: b i i i


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


species: Ca Fe O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: i h

crystal_class: ditetragonal-dipyramidal


species: Mn O Se

species_pp: Mn_pv O Se

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Fe O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Cs Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: e i


species: Cs F Na


species: Ca O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mg O Ti


species: Ca Co O

species_pp: Ca_sv Co O


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Cr Fe O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ni O Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: c f


species: O V W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Ca O V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca Cl Sc

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters: g h g


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Co O Sr

species_pp: Co O Sr_sv


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Co O V

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: Ca Ni O

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: b g


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters: e g


species: Co Nb O

species_pp: Co Nb_sv O


species: O Sc Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg Pb Se

Wyckoff_letters_orig: c e


species: Ca Mg O


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Mg Ni O


species: O Sr Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Mg Se Sn

species_pp: Mg_pv Se Sn

Wyckoff_letters: a b


species: Ca Nb O


species: Ca O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd O V

Wyckoff_letters_orig: b i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: b i i i

Wyckoff_letters: i i


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a h g

Wyckoff_letters: a h g


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c d d


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mn O Sr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr O V


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Fe O Sc

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co Nb O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Ni O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd Nb O

species_pp: Cd Nb_sv O


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Sn

species_pp: Ca_sv O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: O Sc Sr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b i i i


species: Co Fe O

species_pp: Co Fe_pv O


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class: ditetragonal-pyramidal


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: F Fe Tl

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: O Sr V


species: Mg Ni O


species: Lu O Tc

species_pp: Lu O Tc_pv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr O V


species: Fe O W


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr O Ti

Wyckoff_letters_orig: a g


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

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

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

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

Wyckoff_letters: a a a a


species: Cr Fe O

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Ca Ni O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sr W


species: Cs F Mn

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Pb Se


species: Br Co Hg

species_pp: Br Co Hg

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class: hexoctahedral


species: Mo O V

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Mn Ni O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Nb O V

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cl Fe Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc Sr


species: Mg O W

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Fe Nb O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W Zn

species_pp: O W_pv Zn


species: O Sc Ti


species: Mn O Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


Wyckoff_letters_orig: b c i i i

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c h g g


species: Ca O Zr


species: O Sc W


species: Nb O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O W


species: Cd Ni O


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr O Sn


species: Ca Nb O


species: Mn O Sc

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Co Mn O

species_pp: Co Mn_pv O


species: Bi O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti W

crystal_class_orig: ditrigonal-pyramidal


species: Fe O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e

Wyckoff_letters: f f f


species: Cr O Sc

crystal_class: tetragonal-scalenoidal


species: Fe O W


species: Ca Fe O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Cr Mg O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O V Zn

species_pp: O V_sv Zn


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: ditrigonal-pyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: O Rh Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O Ti


species: Mg O Zn

species_pp: Mg_pv O Zn


species: O W Zn


species: O Sn Zn

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c c

Wyckoff_letters: a b


species: Ni O W


Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: d d

Wyckoff_letters: d d f g

Wyckoff_letters: d d


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Mg Pb Te

crystal_class_orig: hexoctahedral


species: Mn O W

crystal_class_orig: orthorhombic-bipyramidal


species_pp: Fe_pv O Sn


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i

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


species: Cd O W

species_pp: Cd O W_pv


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters: c a


species: F Nb Rb

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca O Zn

species_pp: Ca_sv O Zn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sc Ti


species: Ca Mg O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: O Ti W

crystal_class: ditrigonal-scalahedral


species: Ca Nb O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Nb O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: F Fe K

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O Sc V

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: O V Zn


species: Mn O Sc


species: Nb O V


species: Ni O Sc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr O V

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co O Sr

species_pp: Co O Sr_sv

sg2:
Immm #71
Immm #71
Immm #71


species: Mn O Ti


species: Bi O Ti


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: O Sn Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O W Zr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Co Fe O

species_pp: Co Fe_pv O


species: O V W

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

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


species: Fe O Sn


species: Ca O Zn


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class: tetragonal-dipyramidal


species: Co O W

species_pp: Co O W_pv

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Cr Mn O


species: Fe Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e g

Wyckoff_letters: a e

Wyckoff_letters: b e g


species: O V Zn

Wyckoff_letters_orig: e f


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Ti W

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: a c h g g


species: Mn O W

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: a e f

Wyckoff_letters: e e

Wyckoff_letters: f f f

Wyckoff_letters: c e f


species: Cr O Sc


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sr Ti


species: O Sc Sr


species: Ni O Zr

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca O W

sg:
Pbcn #60
Cmmm #65
Cmmm #65

sg2:
Pbcn #60
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: d d


species: Fe Mg O

crystal_class: hexoctahedral


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Mg O Zr

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a b i

Wyckoff_letters: i i i i i

Wyckoff_letters: a c i


species: Ca O Ti

crystal_class_orig: tetragonal-disphenoidal


species: Nb O W

sg:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e g

Wyckoff_letters: g g g h


species: O Sr W

sg:
Immm #71
Immm #71
Immm #71


species: Cr Mn O


species: Cd Co O

species_pp: Cd Co O


species: Cr O W

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ni O V


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: a d


species: Bi O Ti


species: Cr Ni O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Fe O

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal


species: Fe O V


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Co O Ti

species_pp: Co O Ti_sv


species: Cd O Sn

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: O Ti Zn


species: Ca O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Nb O Ti


species: O Sc Ti


species: Co O Zn

species_pp: Co O Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sr W

crystal_class_orig: ditrigonal-pyramidal


species: Fe O Ti


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O W


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O W Zr


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Cr Ni O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: d c

Wyckoff_letters: c d d c

Wyckoff_letters: a b


species: Ca Cr O

crystal_class_orig: orthorhombic-pyramidal


species: Ni O Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Br Ti Tl

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: Cd Co O

Wyckoff_letters_orig: c e


species: Cr Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: i i


species: Cd O Tl

species_pp: Cd O Tl_d

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: O V W


species: O Sc Zr

Wyckoff_letters: c g


species: Ca O Ti


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h


species: Ca Li O

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: b d

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: I K Nb

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a b

Wyckoff_letters: f f


species: K Nb O

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Li O Pb

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e g

Wyckoff_letters: a e

Wyckoff_letters: b e g


species: Nb O Pb

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: C Cl La

species_pp: C Cl La


species: Li O Ta


species: Cl Hg O

species_pp: Cl Hg O

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC


species: Cr Si Zr

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Mg O V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ag Ba P

species_pp: Ag Ba_sv P


species: Ge Rh Y

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Fe O P

species_pp: Fe_pv O P

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ge Pd Zr


species: Na O Ta

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e e

Wyckoff_letters: b e


species: O Pb Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Nb O Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c g


species: Cs I Mg


species: Mg O Ta

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h


species: Nb O Rb

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a b b


species: I Mg Rb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: c e


species: Li O Pb

Wyckoff_letters_orig: e g h

Wyckoff_letters_orig: a b

Wyckoff_letters: e g h

Wyckoff_letters: a b


species: Ca Na O

Wyckoff_letters_orig: e e

Wyckoff_letters: g g


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e f g

Wyckoff_letters: a e f g


species: Cs Nb O

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Al Ca O

species_pp: Al Ca_sv O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Al O Ti

species_pp: Al O Ti_sv

crystal_class: ditrigonal-pyramidal


species: Ga K O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ga O Sc


species: K Nb O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a d

Wyckoff_letters: e g


species: Ce Cr O

species_pp: Ce Cr_pv O


species: Ni O Pm

species_pp: Ni_pv O Pm


species: Ce O V

species_pp: Ce O V_sv

Wyckoff_letters: g h


species: Cu O Tb


species: Cu Mn O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a b f

Wyckoff_letters_orig: h k

Wyckoff_letters: a b f

Wyckoff_letters: h k


species: Cr O Sm

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Ho O Ti

Wyckoff_letters_orig: e f h

Wyckoff_letters_orig: g g s

Wyckoff_letters_orig: c g

Wyckoff_site_symmetries_orig: mmm. mmm. 4mm

Wyckoff_letters: e f h

Wyckoff_letters: g g s

Wyckoff_letters: c g

Wyckoff_site_symmetries: mmm. mmm. 4mm


species: Fe O Sm

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Gd O

species_pp: Ce Gd O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cl Nb Ta

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: I K Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: O Tb Ti

Wyckoff_letters_orig: b i j

Wyckoff_letters: b i j


species: Fe Nd O

species_pp: Fe_pv Nd O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: a d g

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b d

Wyckoff_letters: a d g


species: Eu O Ti

species_pp: Eu O Ti_sv

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: O Sm V

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: O Pr Ti

species_pp: O Pr Ti_sv

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cr O Ti

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Ca Cr O

crystal_class: ditetragonal-dipyramidal


species: Mn O Si

species_pp: Mn_pv O Si

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ge S Sn

species_pp: Ge_h S Sn

crystal_class: tetragonal-dipyramidal


species: Mg O Zn

species_pp: Mg_pv O Zn


species: F Mn Nb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Ca Nb O

crystal_class: dihexagonal-dipyramidal


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cr Fe O


species: Nb O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters: i i i


species: Nb O Sc

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Br Hg Mn

species_pp: Br Hg Mn_pv

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: Ca Fe O


species: O Sc Sr


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: ditrigonal-pyramidal


species: O W Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cd Cs I

species_pp: Cd Cs_sv I

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a a c

Wyckoff_letters: e h


species: Pb Sn Te

species_pp: Pb_d Sn Te

crystal_class_orig: orthorhombic-pyramidal


species: O Sc V

Wyckoff_letters_orig: i i i


species: Mg O Zr

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: ditetragonal-dipyramidal


species: Mn Ni O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cl Hf Na

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sn Zn

species_pp: O Sn Zn


species: Cd Co O

species_pp: Cd Co O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: O Sr Zr


species: Nb O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mg O

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: Fe O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Fe O Sc


species: F Li Mn

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: Ni O Ti

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cr O Sr


species: Ni O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: Ir O Pb

species_pp: Ir O Pb_d

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: hexoctahedral


species: Cr O W

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cd Ni O

species_pp: Cd Ni_pv O

sg:
Pmmn #59
Pmmn #59
Pmmn #59


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Co O

species_pp: Ca_sv Co O


species: Cr Mg O

crystal_class: orthorhombic-pyramidal


species: Ca O Sc


species: Bi O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Fe Nb O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Ca Fe O


species: O Ti W


species: Ca Cr O


species: Al Br K

species_pp: Al Br K_sv

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a d

Wyckoff_letters: e g

Wyckoff_letters: a d


species: Cd O Ti

crystal_class_orig: monoclinic-prismatic


species: O Sr Ti

crystal_class_orig: triclinic-pedial

Wyckoff_letters: a a a


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters: c c


species: Cr O Sc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Fe O

sg2:
Pban #50
Fmmm #69
Cmmm #65

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: h g m

Wyckoff_letters: c a

Wyckoff_letters: h g

Wyckoff_letters: h g n


species: Pb S Zn

species_pp: Pb_d S Zn


species: Cr O Ti

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sr Zr

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Ca Mn O


species: Cd O V

species_pp: Cd O V_sv


species: Fe Mn O

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c


species: Cd Cs I

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co Fe O

species_pp: Co Fe_pv O


species: Fe O W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca O Sr


species: Ni O Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


crystal_class_orig: tetragonal-dipyramidal


species: Bi O Ti


species: Fe Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O V Zn

species_pp: O V_sv Zn


species: Cr O Sr


species: Cr O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Sr V

Wyckoff_letters_orig: a e


species: Ni O Sr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Mn O Ti

Wyckoff_letters: c f


species: Cd Co O

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Fe O V


species: Cd O V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca O Sc


species: Mg O Ti


species: Mg Mn O


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ca O Zr


species: Pb Sn Te

species_pp: Pb_d Sn Te


species: O Sc V


species: Ca Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: O Sc Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal


species: Mg O V

crystal_class: ditrigonal-scalahedral


species: Ca O W


species: Mn O Tl

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: m m m

Wyckoff_letters_orig: m m

Wyckoff_letters: m m m

Wyckoff_letters: m m


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mg O Sc

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

Wyckoff_letters_orig: f f


species: Cd O Sn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mn O V

crystal_class_orig: ditetragonal-dipyramidal


species: Fe O W


species: Nb O Ti


species: Mn O Sr


species: Fe Nb O


species: Mg O Sr


species: O Os Ta

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Fe O

Wyckoff_letters: f f


species: Mn Nb O


species: Ge S Zn

species_pp: Ge_h S Zn

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: Pb Se Zn

species_pp: Pb_d Se Zn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Co O Zr


species: Fe Ni O


species: Gd Mo O

species_pp: Gd Mo_pv O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn Zn

species_pp: O Sn Zn


species: Mg Mn O


species: Ni O W


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: b d

Wyckoff_letters: i i

Wyckoff_letters: b d


species: Ca Mg O


species: Fe O Sc


species: Ca O Zr

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O W

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Mg O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: c i i

Wyckoff_letters: a i i


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ca O V

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


species: Fe O Ti


species: Co O Sr

species_pp: Co O Sr_sv


species: Co O Sc

species_pp: Co O Sc_sv

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

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


species: Ge Mg S

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a b


species: Co O Sn

species_pp: Co O Sn

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Ca Nb O


species: Fe Nb O


species: Mg Se Sn

species_pp: Mg_pv Se Sn

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: a d

Wyckoff_letters: d d

Wyckoff_letters: d d f g

Wyckoff_letters: a d


species: Eu H Li

species_pp: Eu H Li_sv


species: F Hg Ti

species_pp: F Hg Ti_sv


species: O Sr W

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Cr Mg O


species: Nb O V


species: Mn O V


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc Zr


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O V Yb

species_pp: O V_sv Yb

crystal_class: ditetragonal-dipyramidal


species: O W Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co O W

species_pp: Co O W_pv


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: Ni O Zr


species: O Sc Ti


species: Ge Mg Se

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: c c c

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

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c

Wyckoff_letters: c c c

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


species: Ca O V

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Lu Mo O

species_pp: Lu Mo_pv O


species: Mn O Sr


species: O Sr Ti


species: Mn Nb O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: e f

Wyckoff_letters: c f


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class: trigonal-trapezoidal


species: O Ti W


species: Ca O Sn

crystal_class: tetragonal-dipyramidal


species: Pb S Sn

species_pp: Pb_d S Sn


species: Ca Fe O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Mg Mn O


species: Ca O Zr


species: Co O Sn

Wyckoff_letters: a b


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class: orthorhombic-bipyramidal


species: Cr Mg O


crystal_class: dihexagonal-dipyramidal


species: O W Zr


species: Al Au La

species_pp: Al Au La

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-pyramidal


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr O Sr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


crystal_class_orig: monoclinic-prismatic


species: Mg O Sc

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F Mn Tl

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: O Sc Ti


species: O Sc W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Mg O

species_pp: Co Mg_pv O


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg O Sr


species: Nb O Sr


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Nb O

crystal_class: hexoctahedral


species: Bi O Ti

Wyckoff_letters_orig: f i

Wyckoff_letters: f k


species: Mn O V


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Mn Nb O


species: Cl Cs Sr


species: Cr Mg O


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Co O Ti

species_pp: Co O Ti_sv

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ca Fe O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f f


species: Sn Te Zn

species_pp: Sn Te Zn


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni O Ti


species: O Ti Zr

Wyckoff_letters_orig: a e e

Wyckoff_letters: a g


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cr O W

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: b i


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a b d

Wyckoff_letters: b a c


Wyckoff_letters_orig: a e f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: b c e


species: Bi O Ti


species: Cr O Sr

Wyckoff_letters_orig: a g


species: Fe O Sr


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: f g

Wyckoff_letters: a c

Wyckoff_letters: f g


species: Nb O W


species: O V Zr

Wyckoff_letters_orig: c e


species: Co O Zr

species_pp: Co O Zr_sv


species: O Sn W

species_pp: O Sn W_pv


Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Cs F Tl

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Cr O V


species: Ca Co O

species_pp: Ca_sv Co O


species: O Sr V


species: Mg O V


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Fe O Ti

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Fe Mg O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Nb O Zr


species: F Rb Ta


species: Mg Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr Ni O


species: Cl Sc Tl

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Mg Mn O

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: O Sc V

Wyckoff_letters_orig: f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f

Wyckoff_letters: f f


species: Nb O V


species: Ca Cd O


species: Ni O Sc

sg:
Cm #8
Cmmm #65
Amm2 #38

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b c c

Wyckoff_letters: a c c


species: Cr O V


species: O W Zn

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O Sc W


species: O Sn W

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ca Mn O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: O V Zn

species_pp: O V_sv Zn


Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a e


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters: a e


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe Mn O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg O Zn

species_pp: Mg_pv O Zn


Wyckoff_letters_orig: a d

Wyckoff_letters: a b


species: Cr Mn O

Wyckoff_letters_orig: a b


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Mg Nb O


species: Mn O Sn

species_pp: Mn_pv O Sn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cd O Sn

species_pp: Cd O Sn

sg2:
Pban #50
Pban #50
P4/nbm #125


species: Ca Mg O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Co O V

species_pp: Co O V_sv


species: Fe Mg O


species: Cl Cs Ge


species: Ca O W

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Re Tb


species: Mg O V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr O Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe O Sr


species: Ca O Zr


species: Ca Cr O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: e f

Wyckoff_letters: a c

Wyckoff_letters: e f


species: Br Cu Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a a c


species: Mn O W


species: Ca Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co O Sc

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Mn O Sn

crystal_class: ditrigonal-pyramidal


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: ditrigonal-scalahedral


species: Ca O Sc

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Nb O Sc

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Fe O

species_pp: Co Fe_pv O


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cr O Sc

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


species: O Sc Ti

Wyckoff_letters_orig: e e e f f

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e f f

Wyckoff_letters: a b

Wyckoff_letters: e e


crystal_class_orig: dihexagonal-dipyramidal


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c


species: Mg Ni O

crystal_class: ditrigonal-scalahedral


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: a c g

Wyckoff_letters: a c g


species: Ca O Os

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Zr


species: Ca Mg O

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Nb O

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i


species: Ca O W

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Nb O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


species: Fe Nb O

crystal_class_orig: tetragonal-dipyramidal


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class: ditetragonal-dipyramidal


species: O V Zr


species: Ca Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Sn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Fe La Si

species_pp: Fe_pv La Si


species: Mg O Sc


species: Fe Ni O


species: Mg O V


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O V

Wyckoff_letters_orig: a d


species: Cr O V


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O Sn


species: Cu O Zn

species_pp: Cu_pv O Zn

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ca O Sr


species: O Sr Zr


species: Cr O W

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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg S Sn

species_pp: Mg_pv S Sn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca O V


species: Cr Mg O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Mg Na

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: b c

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: b c


species: Li O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i


species: I K Li

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: d i


species: K Li O

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: K Nb O

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c b

aflow_prototype_params_list_relax: a b/a c/a z4


species: Li Nb O