species: O V W

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: O Ti W

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: 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_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-pyramidal

point_group_type: polar

point_group_structure: dihedral

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: Cr O W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: c e

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCF

Wyckoff_letters: c e


species: Pb S Sn

species_pp: Pb_d S Sn

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_class: rhombohedral

point_group_structure: cyclic

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Cr O Ti

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: a i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

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: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Nb O Ti

Wyckoff_letters_orig: a i j

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i j


species: O W Zr

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_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_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

aflow_prototype_params_list_relax: a c/a z3


species: Co O Zr

species_pp: Co O Zr_sv

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: Cr O Zn

species_pp: Cr_pv O Zn

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c


species: Cd Nb O

species_pp: Cd Nb_sv O

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: 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

aflow_prototype_params_list_orig: a c/a


species: O Zn Zr

species_pp: O Zn Zr_sv

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: a e e

Wyckoff_site_symmetries_orig: -1 m m

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: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a e e

Wyckoff_site_symmetries: -1 m m


species: Fe O Ti

crystal_class_orig: ditetragonal-pyramidal


species: Mg O V


species: O Sc Zr

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

aflow_prototype_params_list_relax: a c/a


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Fe Mn O

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ca Cr O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Ca Fe O

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Cu Mg O

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a a

Wyckoff_letters: a a a


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Ca Na O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: I Na Nb

sg:
Pbam #55
Pbam #55
Cmmm #65

sg2:
Pbam #55
Pbam #55
Pbam #55


species: K Na O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Li O Ta


species: Mg O Pb


species: Na Nb O


species: I Li Ta

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: As Cu Sr


species: Bi I Tl

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: O S Zr

species_pp: O S Zr_sv

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e


species: Cu La Sn

species_pp: Cu_pv La Sn


species: Al Co Th

species_pp: Al Co Th_s

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: b c


species: Ba Cl H

species_pp: Ba_sv Cl H


species: Ba Fe O

aflow_prototype_params_list_relax: a c/a x3


species: Ca O Te

species_pp: Ca_sv O Te

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: f g g g

Wyckoff_letters: a e f

Wyckoff_letters: f g g g


species: F O Se

species_pp: F O Se


species: Ba Mg Si


species: O P V

species_pp: O P V_sv

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Al Dy Ni


species: Ca K O

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic


species: Cl Cs Na

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b e


species: K O Pb

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i


species: Li Nb O

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: a k

Wyckoff_letters: d e

Wyckoff_letters: a k


species: Ho Pt Si

species_pp: Ho_3 Pt Si


species: I Li Mg

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Na O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O Ta

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: i j

Wyckoff_letters: a g

Wyckoff_letters: i j


species: Na Nb O


species: I Li Nb

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: Ca Li O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m


species: K O Ta

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Cs I Nb

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c d e


species: Cr K O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ce O V

species_pp: Ce O V_sv

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c c

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g

Wyckoff_letters: c c


species: Cr O Sm


species: Ho Ni O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Cu O V

aflow_prototype_params_list_orig: a c/a x3


species: O Sm Ti


Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca Cl Na

crystal_class: ditetragonal-pyramidal


sg:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a g g h

Wyckoff_letters_orig: d h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g g h

Wyckoff_letters: d h


species: S Se Zn

species_pp: S Se Zn

Egap_DOS_type: insulator

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a c b

Wyckoff_letters: c b

Wyckoff_letters: a c b


species: Ce O Sm

species_pp: Ce O Sm_3

Egap_DOS_type: metal

Wyckoff_letters_orig: h h h

Wyckoff_letters: h h h


species: O Sm V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


species: Mn O Sm

crystal_class_orig: trigonal-trapezoidal


species: Nb O Sr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cl O Pb

species_pp: Cl O Pb_d

crystal_class_orig: orthorhombic-bipyramidal


species: Ce O Tb

species_pp: Ce O Tb_3

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cs I Pb

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O Zn

species_pp: Co O Zn

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: Bi O Ti


species: Cr O V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co Ni O

species_pp: Co Ni_pv O


species: Co O V

species_pp: Co O V_sv

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: c c


species: Fe O Zn

species_pp: Fe_pv O Zn

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h


species: Ce Li N

species_pp: Ce Li_sv N


Wyckoff_letters: c a


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: a c i i i


species: Ge Pb Te

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: O Sr Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters: a b b


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a


species: Mn O Sr

Wyckoff_letters_orig: g g


species: Fe O V


species: Cr O Zr

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: O Sr W

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


species: O Ti W

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

sg2:
Cmmm #65
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_site_symmetries_orig: mmm mmm

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: g c


species: Mg O V

crystal_class_orig: ditrigonal-scalahedral


species: Br La Si

species_pp: Br La Si

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: a b e e

Wyckoff_letters_orig: b e e e

Wyckoff_letters: a e

Wyckoff_letters: a b e e

Wyckoff_letters: b e e e


species: Ni O Sn

species_pp: Ni_pv O Sn

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: O Sc W

Wyckoff_letters: i i i


crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe O Zn


species: Nb O Zn

species_pp: Nb_sv O Zn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc Sr

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Co Ni O


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class: ditrigonal-scalahedral


species: Ca Cr O


species: Ni O Zr


species: Ca Mg O


species: Cr O W


species: Nb O W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_letters: a f

Wyckoff_site_symmetries: mmm 2mm ..m


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Pb S Zn

species_pp: Pb_d S Zn


species: Bi O Ti

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters: i h


species: O Re Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ni O Sn


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mn O V

crystal_class: dihexagonal-dipyramidal


species: Cr Mg O


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a a a


species: Ge Pb S

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: b f


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Co Cr O

species_pp: Co Cr_pv O


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e f f

Wyckoff_letters: e e e


species: Co Nb O

species_pp: Co Nb_sv O


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Co O Ti

species_pp: Co O Ti_sv


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cr O Zr

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating

Wyckoff_letters: a b

Wyckoff_letters: a a b b

Wyckoff_letters: a a


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O V


species: Ca O Sr


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mn O Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O Sr

Wyckoff_letters_orig: b f


species: Fe O W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr O W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti Zn

species_pp: O Ti_sv Zn


species: O V Zr

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


species: Fe O Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a a a a a


species: Fe O Zr

crystal_class: hexoctahedral


species: Fe Ni O


species: Co O Sc

species_pp: Co O Sc_sv


species: Cr O Sc

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sc V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O V

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c a h

Wyckoff_letters: i j

Wyckoff_letters: d a h


species: Cr Mn O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters: b f


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mg O Sc

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Mg O W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn O W


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Sr


species: Fe Nb O


species: Co O Zr

species_pp: Co O Zr_sv


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Nb O

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Ni O Zr


species: Mg Ni O


species: Ca Ni O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: monoclinic-domatic


species: Co O Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


crystal_class_orig: dihexagonal-dipyramidal


species: Ni O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O Sc

crystal_class: tetragonal-scalenoidal


species: Cr O Sn

species_pp: Cr_pv O Sn

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC


species: Br Nb Tl

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: O Sr W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Ti Zr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Ti W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O Sr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O Zr


species: Mn Ni O

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Cr F Rb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Ca Co O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


Wyckoff_letters_orig: a e


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: ditrigonal-scalahedral


species: O Sr Zr

Wyckoff_site_symmetries: mmm mmm


species: Ge Pb Te

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

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

Bravais_lattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: f i h


species: Br Ge Li


species: Nb Ni O


species: O Sc Ti


species: Cr O W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Nd P

species_pp: Fe_pv Nd P

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Fe Mn O


species: Nb O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mg Mn O


species: Cd O W


species: Cd O Zn

species_pp: Cd O Zn


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c h

Wyckoff_letters: a c

Wyckoff_letters: c h


species: Mg O V


species: Co O V


species: Fe Ni O

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


species: Mn O Sc

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mg Pb Se


species: Mn O Sr

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Ca Mg O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b


species: Cr Mn O

Wyckoff_letters: a b


Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: j i


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Ca O Sr


species: Bi O Ti


species: Co Fe O

species_pp: Co Fe_pv O


species: Cu O Ti

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: e b


species: Mg O Zr


species: Nb O W


species: Ca Mn O

Wyckoff_letters_orig: f f


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Mg O


species: Cr O W


species: Cl Co Tl

species_pp: Cl Co Tl_d

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Br Cr Cs

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: F Hg Nb

species_pp: F Hg Nb_sv

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: Fe O V

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co O Zn

species_pp: Co O Zn


species: Mn O Zr


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Mn Nb O

Wyckoff_letters_orig: f l

Wyckoff_letters_orig: g h o

Wyckoff_letters: f l

Wyckoff_letters: g h o


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: c g h


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class: orthorhombic-bipyramidal


species: Cr O Zn


species: O Sn V

species_pp: O Sn V_sv


species: O Sr W

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a c

Wyckoff_letters: c c

Wyckoff_letters: a a c


species: Ca Fe O

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m m


species: Cr Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Ti Zr


species: O Sc Sr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co O V

species_pp: Co O V_sv


species: Mn O Sr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cr O Ti


Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Ca Cr O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Br Fe Tl

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

Wyckoff_letters: h i

Wyckoff_letters: a f


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Ag I K

species_pp: Ag I K_sv

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd O Sn

species_pp: Cd O Sn


species: Ca O Sn

crystal_class_orig: tetragonal-scalenoidal


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class: ditrigonal-pyramidal


species: Cd O V

species_pp: Cd O V_sv


species: Mg Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e

Wyckoff_letters: a e f

Wyckoff_letters: f f f


species: Co O Sn

species_pp: Co O Sn

crystal_class: ditrigonal-scalahedral


species: Pb S Sn

species_pp: Pb_d S Sn


species: O V W

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Nb O V

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c d d

Wyckoff_letters: c c

Wyckoff_letters: c c c d d


species: Fe Mn O

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Fe Nb O


species: Cr O Sc

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters: i i i


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: ditetragonal-dipyramidal


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a c e f g h


species: Mn Nb O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni O

species_pp: Cd Ni_pv O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Mg O W

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


crystal_class_orig: ditetragonal-dipyramidal


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b b b

Wyckoff_letters: b b


species: Cr O Sn


species: Co Nb O

species_pp: Co Nb_sv O


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Mn Ni O

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: Mg O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O Ti

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: c a

Wyckoff_letters: e c


species: Ca I P

species_pp: Ca_sv I P

crystal_class_orig: ditrigonal-scalahedral


species: F Fe Tl

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters: a a


species: Ni O V


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb O Ti

Wyckoff_letters_orig: b c d

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


species: Ca Fe O

Wyckoff_letters_orig: c c


species: Ca Cr O


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: a f

Wyckoff_letters: h p

Wyckoff_letters: a f


species: Ni O Zr

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


species: Mg O Sn

species_pp: Mg_pv O Sn


species: O Ti V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sr Ti


species: O Sc Sr


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Ni O


species: Br Li Ti

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu O Sr


species: Nb O Sr

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: b c e


species: Nb O W


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca O Sr

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: F Nb Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mg O Ti


species: Co F Tl

species_pp: Co F Tl_d

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Pb Se Zn

species_pp: Pb_d Se Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ti V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e


species: Nb Ni O


species: F Tl Zn

species_pp: F Tl_d Zn


species: Nb O Ti

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g h i


Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg Nb O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters: g e


species: Cr Nb O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: i i

aflow_prototype_params_list_relax: a b/a c/a y3


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Fe O Sr


species: Ca O Sc

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Cmmm #65
Cmmm #65


species: Sn Te Zn

species_pp: Sn Te Zn

Wyckoff_letters: b e


Wyckoff_letters_orig: c c c


species: O Sc Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr O V


species: Bi O Ti

Wyckoff_letters_orig: e f


species: Cr O W

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b


species: Mn O W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Mg O Zr

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: e e

Wyckoff_letters: g g g

Wyckoff_letters: e e


species: I Mg Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Nb O


species: Nb O Pb

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters: a i i i i i

Wyckoff_letters: i i


species: Ca Cs I

Wyckoff_letters_orig: c d


species: I Na Ta

Wyckoff_letters: e e e e


species: O Sc Se

species_pp: O Sc_sv Se

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Al Rh Y

crystal_class: hexoctahedral


species: K S Sn

species_pp: K_sv S Sn


species: Co Ga Mn


species: O Pb Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cs F Nb

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

Wyckoff_letters: e f


species: O Rb Ta


species: Ca O Rb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: d c


species: Ca I Pb

sg:
Pnma #62
Pnma #62
Cmmm #65

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c c d

Wyckoff_letters: h i


species: K Na O

crystal_class_orig: tetragonal-dipyramidal


species: Na O Rb


species: Nb O Ta

Wyckoff_letters_orig: e f


species: O Pb Rb


species: Ca Na O

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: K Mg O


species: I Nb Pb

Wyckoff_letters_orig: a i i i

Wyckoff_letters: a i i i

Wyckoff_site_symmetries: 2/m m m m


species: I Nb Rb

Wyckoff_letters_orig: e g g g

Wyckoff_letters: e g g g


species: Ca O Pb

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a b

Wyckoff_letters: d h


species: Li O Ta

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e j k l

Wyckoff_letters_orig: c g

Wyckoff_letters: a e j k l

Wyckoff_letters: c g


species: Al Mn O

species_pp: Al Mn_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i i i i


species: Al O Sc

species_pp: Al O Sc_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu O Pr

species_pp: Cu_pv O Pr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c


species: Cu O Sm

crystal_class: tetragonal-scalenoidal


species: Dy Mn O


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e


species: O Tb Zn

species_pp: O Tb_3 Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: a c


species: Ca Cl K

Wyckoff_letters_orig: a a a

Wyckoff_letters: b c


species: Ca Cs F

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Mg Na

Wyckoff_letters: h g


species: Cl Nb Ta

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

Wyckoff_letters_orig: a a

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

Wyckoff_letters: a a


species: F K Li


species: Mg O Ta

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cs O Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: a b i


species: Ca Mn O

Egap_DOS_type: half-metal

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ce Cr O

species_pp: Ce Cr_pv O


species: Co O Tb

species_pp: Co O Tb_3

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Cu Ho O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b


species: Cs I Pb

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: f f f

Wyckoff_letters: e c


Wyckoff_letters_orig: b i j

Wyckoff_letters: b i j


species: Co O Zn

species_pp: Co O Zn


species: Nb O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Pb Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F Ni Tl

crystal_class_orig: tetragonal-scalenoidal


species: Cr O Zr

crystal_class: ditetragonal-pyramidal


species: O Sc Sr


species: O Sc Sn

species_pp: O Sc_sv Sn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c f


species: O Sc V


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: F Hg Mn

species_pp: F Hg Mn_pv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d

Wyckoff_letters: a b


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: Ca O Sc


species: Fe O W


species: Ca Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd Nb O

species_pp: Cd Nb_sv O


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a c


species: Cr O Sc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b c e


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d

Wyckoff_letters: a c


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cs F Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Fe O V

crystal_class_orig: ditrigonal-scalahedral


species: Fe O Sc

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Co O Ti

species_pp: Co O Ti_sv


species: Fe Mg O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe Mn O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: O Sn W

species_pp: O Sn W_pv


crystal_class_orig: tetragonal-disphenoidal


species: Mn O Sc

crystal_class_orig: monoclinic-domatic


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Ni O W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sr W

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr O Sn


species: Br Fe K

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: O Sc Sr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Mn O

species_pp: Cd Mn_pv O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cd O Sn

species_pp: Cd O Sn


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Fe O Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca O Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cr O Zr

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Mg O

crystal_class: ditetragonal-dipyramidal


species: Ca Cr O


species: Ca Cd O

crystal_class: ditrigonal-scalahedral


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


Wyckoff_letters_orig: i h


species: Ni O Sr


species: Nb Ni O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cd Co O

species_pp: Cd Co O


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Mn O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal


species: Fe O Sr


species: Co Nb O

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

Wyckoff_letters_orig: c g


species: Cl Mn Na

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


sg2:
Cm #8
Cm #8
Cm #8

crystal_class: monoclinic-domatic


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a

Wyckoff_letters: b b b


species: Ni O Ti


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral


species: Ca Nb O

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Ca O Zr

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: g e


species: Ge Mg Se

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Mn O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O Zn

species_pp: Co O Zn


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Cd O Sn


species: Fe Ni O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: O Sr Ti


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ca Cr O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Br Ga Tl

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Cd O V

species_pp: Cd O V_sv


species: Cu F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: b a a c


species: O V Zr

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Mn Nb O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Nb 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 Zn

species_pp: Mg_pv O Zn


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: h j

Wyckoff_letters: a i

Wyckoff_letters: i i

Wyckoff_letters: h j


species: Ca Mg O

crystal_class: dihexagonal-dipyramidal


species: O Sc Zr


species: Nb O V

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Ca O W


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Ca O Sc

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cl Cr Nb

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O W


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: O V Zn

species_pp: O V_sv Zn


species: Bi Cs I

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Fe Nb O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Fe Mg O

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters: b h


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Mn O Zr


species: Cr Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ni O Sc


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Sn


species: Co O W

species_pp: Co O W_pv


species: Fe O Sc

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O Sr

Wyckoff_letters_orig: a a a a a a a a


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Cr Nb O

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: O Sn V

species_pp: O Sn V_sv


Wyckoff_letters_orig: i i j

Wyckoff_letters: g j


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: ditrigonal-pyramidal


species: O V W

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g h h

Wyckoff_letters_orig: a g

Wyckoff_letters: g g h h

Wyckoff_letters: a g


species: Ca O Sr

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Mg O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Mg O

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

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: f i h


species: Cd O W

species_pp: Cd O W_pv


species: Ca O V


species: Mg Ni O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Mg O


species: Cr Mg O


species: Ca Fe O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cl F Pb

species_pp: Cl F Pb_d


species: Mn Nb O

Wyckoff_letters_orig: g j


species: Pb S Sn

crystal_class_orig: ditrigonal-scalahedral


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


species: Ni O Ti

Wyckoff_letters_orig: b f


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Ge Mg Te

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O V Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe O Ti


species: O Sr Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Mg Nb O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b g


species: Bi O Ti

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class: ditetragonal-dipyramidal


species: Fe O W

Wyckoff_letters_orig: j g

Wyckoff_letters: j g


species: Fe O V

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i


species: Cd O W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a

crystal_class: tetrahedral

Wyckoff_letters: a b

Wyckoff_letters: a a b b

Wyckoff_letters: a a


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Mg O Sn

species_pp: Mg_pv O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Co Mg O

species_pp: Co Mg_pv O


species: O Sc Sr


species: Ge Pb S


species: O Sn W

species_pp: O Sn W_pv


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca O Ti

aflow_prototype_params_list_relax: a b/a c/a beta y2 y3


species: Ag Bi I

species_pp: Ag Bi_d I

sg2:
Pnna #52
Pnna #52
Cmcm #63

Wyckoff_letters_orig: e e

Wyckoff_letters: g f


species: Mg Mn O

Wyckoff_letters_orig: b f


species: Fe Mn O


species: Cr Fe O


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: ditrigonal-pyramidal


species: Fe O Sc

crystal_class_orig: orthorhombic-pyramidal


species: Mn O Sr


species: Mn O Zr


species: Al Cu F

species_pp: Al Cu_pv F

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr O V


species: Nb O Zn

species_pp: Nb_sv O Zn


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cd O Zn

species_pp: Cd O Zn


species: Co Ni O

species_pp: Co Ni_pv O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c


species: Ni O Zn

species_pp: Ni_pv O Zn

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: F K Sb

species_pp: F K_sv Sb

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e


species: Co Fe O

species_pp: Co Fe_pv O


species: Nb O Sr


species: Ca Cr O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr Mg O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Rb Se

species_pp: O Rb_sv Se

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c c c c

Wyckoff_letters: a c


species: Ge Mg S

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Br Co Cs

species_pp: Br Co Cs_sv

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Bi O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mn O W

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: e f f f f

Wyckoff_letters: c f


species: Mn Nb O


species: Ni O Ti


species: Ni O Sc

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Sr Zr

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd O Zn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O Sr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Ca Ni O


species: Ca O Ti


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c f


species: Nb O Ti

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O V W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Cr Nb O


species: Cr Mn O


species: Br Li Ni

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn O W


species_pp: Cd O Zn


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: tetragonal-scalenoidal


species: Cd Cs I

species_pp: Cd Cs_sv I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Cr O Ti

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Co O Ti


species: Mn Nb O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mg O Sc


species: F Hg Zr

species_pp: F Hg Zr_sv

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e i


species: Nb O Zr

sg:
Cmmm #65
Ccce #68
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: h g

Wyckoff_letters: a c

Wyckoff_letters: g h m


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Mn O

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

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: d i

Wyckoff_letters: b d


species: O Sc Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Ti Zr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Cr O Sr


species: Mg Pb S

crystal_class: orthorhombic-bipyramidal


species: O Sn Zn

species_pp: O Sn Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a b

crystal_class: hexoctahedral


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Co Ni O

species_pp: Co Ni_pv O


species: O Ti W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Fe O

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Cr Nb O


species: Fe Ni O

crystal_class: dihexagonal-dipyramidal


species: Nb O W

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters: a d


species: Fe O Sc


species: Fe O Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


species: Ca O Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ni O

Wyckoff_letters_orig: b f


species: O Ti V

crystal_class: tetragonal-scalenoidal


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Cmcm #63
Cmmm #65
Cmmm #65

sg2:
Cmcm #63
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: f g

Wyckoff_letters: g j


species: Cd Co O

species_pp: Cd Co O


species: Cr Mg O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca Mg O

Wyckoff_letters_orig: g g


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a c

Wyckoff_letters: d h

Wyckoff_letters: b c

Wyckoff_letters: a c


species: O Zn Zr


species: Ni O Sc

crystal_class: monoclinic-prismatic


species: Cr Nb O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Bi O Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mn O Sr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Pmmn #59
Imm2 #44

Wyckoff_letters_orig: a e


species: Co O Sn

species_pp: Co O Sn

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a a a a a

Wyckoff_site_symmetries: m m m m m


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Cr O Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: f g


species: Co O Tb

species_pp: Co O Tb_3

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Cr Mg O


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Ni O Sr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a d


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a


species: Fe Mg O


species: Cu Ni O

Wyckoff_letters_orig: a a a a

Wyckoff_letters: g g


species: Ca O Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Ca Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: b g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b g


species: O Sc Zr


species: O Sc Sr


species: Fe O Ti

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g

Wyckoff_letters: a d

Wyckoff_letters: g h


species: Ca O Zn

species_pp: Ca_sv O Zn


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sr Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species_pp: Ca_sv Cd O

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: a k

Wyckoff_letters: d e

Wyckoff_letters: a k


Wyckoff_letters_orig: e e


species: Co Mg O

species_pp: Co Mg_pv O


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: orthorhombic-pyramidal


species: Mn Ni O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h n

Wyckoff_letters: e c


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Ni O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Mn Tl

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Nb O Zr


species: Cr O Sc

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cl Co K

species_pp: Cl Co K_sv

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e


species: Co O Sc

species_pp: Co O Sc_sv

sg:
Cmce #64
Cmce #64
Cmce #64


species: Mn O Sc


species: Mg Mn O


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: 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

Wyckoff_letters: a a a a


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: d h

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Nb O Sn

species_pp: Nb_sv O Sn

sg:
Cmcm #63
Ama2 #40
Pm #6

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: a a a a a a


species: Cl Cu Hf

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


Wyckoff_letters_orig: b i

Wyckoff_letters_orig: i i i

Wyckoff_letters: b i

Wyckoff_letters: i i i


species: Cl Hg Ni

species_pp: Cl Hg Ni_pv

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: a f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i

Wyckoff_letters: a f


species: O Sr W


species: Mg O W

Wyckoff_letters: j i


species: Fe O Sr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca Mn O


species: Cu Mg O


species: Ca Cd O

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cd O Rh

species_pp: Cd O Rh_pv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O V

crystal_class: ditrigonal-scalahedral


species: Nb O Zn

species_pp: Nb_sv O Zn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: F Mn Tl


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal


species: I O Sn

species_pp: I O Sn

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: O Sc Sr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca O V

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Br Fe Tl

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Mg O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Mg Mn O


species: Cr Nb O

Wyckoff_letters_orig: a b


species: Fe O Sr

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Nb O Zr

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

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

Wyckoff_letters_orig: f f


species: Fe Nb O


species: Fe Mn O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sc V


species: Co Nb O

species_pp: Co Nb_sv O


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Cd Co O

species_pp: Cd Co O


species: O Sn Ti

species_pp: O Sn Ti_sv

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Mg O V


species: Cr O Pt

species_pp: Cr_pv O Pt

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: c b a

Wyckoff_letters: c c c c


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Ca Ni O


species: Cr O V

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sc Sr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: b c e


species: O Sr W


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Li Pb


species: Mg O Rb

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: i j

Wyckoff_letters: a c

Wyckoff_letters: i j


species: Na Nb O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a a c


species: Cs I Na

Wyckoff_letters_orig: b c

crystal_class: rhombohedral

Wyckoff_letters: b c


species: K Nb O

crystal_class_orig: orthorhombic-bipyramidal


species: Li Nb O

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Nb O Rb

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h

Wyckoff_letters: g h i

Wyckoff_letters: g h


species: O P W

species_pp: O P W_pv

Wyckoff_letters_orig: b c m m m n n n o o

Wyckoff_letters_orig: m n

Wyckoff_letters: a g g g h


species: Fe O P

species_pp: Fe_pv O P

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: a e

Wyckoff_letters: e e e e e


species: Br Cl P

species_pp: Br Cl P

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a c c c

Wyckoff_letters_orig: a b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a c c c

Wyckoff_letters: a b


species: Cd Cl P

species_pp: Cd Cl P

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni Ti V


species: Cl Li Pb

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Hf Mn Si


species: Ca Cl Li

Wyckoff_letters: e c


species: Mg O Ta

Wyckoff_letters_orig: c c


species: Ca I K

Wyckoff_letters_orig: e g h

Wyckoff_letters: a h


species: I Mg Na

Wyckoff_letters: e h


Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e e

Wyckoff_letters: e e f

Wyckoff_letters: e e


species: I Mg Nb

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: K Na O


species: Ca K O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: K O Ta

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a b b

Wyckoff_letters: a a


species: Na Nb O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Na O Rb

crystal_class_orig: tetragonal-scalenoidal


species: Mg O Pb

Wyckoff_letters_orig: b c e


species: F Li Mg

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d c


species: I Li Ta


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Nd S Tl

species_pp: Nd S Tl_d


species: Nb O Rb


species: Al Mn O

species_pp: Al Mn_pv O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: m n

Wyckoff_letters: a e

Wyckoff_letters: m n


species: Ca I Pb

sg:
Pbcn #60
Pbcn #60
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Cr Cu O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Ca Ga O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ce O Sm

species_pp: Ce O Sm_3

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c

Wyckoff_letters: b b


species: Ce O Ti

species_pp: Ce O Ti_sv

crystal_class_orig: rhombohedral


species: Cr O Yb

species_pp: Cr_pv O Yb


species: Co Nd O

species_pp: Co Nd O

crystal_class: hexoctahedral


species: Er O V


species: Cl Cs Nb

Wyckoff_letters_orig: e e e e


species: Cl Nb Rb

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: e f

Wyckoff_letters: g g g g

Wyckoff_letters: e f


species: Cr O Sm


species: Cl Mg Rb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cl Na Ta

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Ce Cu O

species_pp: Ce Cu_pv O


species: Cr O Pm

species_pp: Cr_pv O Pm

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ni O

crystal_class_orig: ditetragonal-dipyramidal


species: Cu O Tb

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Fe O Tb

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: O Tb Tm

species_pp: O Tb_3 Tm

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters: b g


species: Cs I Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters: d c


species: O Pm Pr

species_pp: O Pm Pr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nb O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a b

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


species: Mg Ni O

Wyckoff_letters_orig: b i

Wyckoff_letters: c g


species: Co Ni O

species_pp: Co Ni_pv O


species: Cr O Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Co Mg O

species_pp: Co Mg_pv O


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Co O Sn

species_pp: Co O Sn


species: Fe O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: O Sr Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cl Li Tl

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: Cr Nb O

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: O Sc Sr


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a b


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Br Na Sn

species_pp: Br Na_sv Sn

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c l

Wyckoff_letters: a h


sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: f g


sg:
Pnma #62
Pnma #62
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters: f e


species: Ca O Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O W Zr

crystal_class_orig: monoclinic-domatic


species: Ca Mn O


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: f g


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Cd O Sr

species_pp: Cd O Sr_sv


species: O Ti V


species: Mg O W

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: f f


species: Ni O Zn

species_pp: Ni_pv O Zn


species: Cr O Sc

crystal_class_orig: ditrigonal-pyramidal


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Ca Cr O


species: Ca Mg O


species: Cr O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe Mg O

sg:
Ibam #72
Ibam #72
Ibam #72


species: Co Mg O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cl K Ni


species: Mn Nb O


species: Cr O Zr


species: Cu Mg O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: i i

Wyckoff_letters: g a

aflow_prototype_params_list_relax: a b/a c/a z4


species: Mg Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e f

Wyckoff_letters: a e

Wyckoff_letters: e e f


species: Fe O Zn

species_pp: Fe_pv O Zn


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Fe O W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cd O Pt

species_pp: Cd O Pt


species: Co Fe O

species_pp: Co Fe_pv O


species: Fe O Sc


species: Pb Se Zn

species_pp: Pb_d Se Zn


species: Ge Pb S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class: tetragonal-dipyramidal


species: O Sr W


species: Cd O Zn

species_pp: Cd O Zn

crystal_class: ditrigonal-scalahedral


species: Cl Ta Zn

species_pp: Cl Ta_pv Zn

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Co O Ti

species_pp: Co O Ti_sv

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters: j g


species: Cd O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class: ditrigonal-pyramidal


species: Mn O W


species: O V Zn

species_pp: O V_sv Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb O Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Nb Ni O

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: b b b


species: Cr Mn O


species: Mg Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe O V

crystal_class_orig: tetragonal-scalenoidal


species: F Na Ni

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a g

Wyckoff_letters: e h i

Wyckoff_letters: a g

Wyckoff_letters: b c


species: Fe Mn O


species: Ca O Sc


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: j g


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: O V Zr


species: O Sc Sr

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: triclinic-pedial

crystal_class: triclinic-pedial


species: Cr O V

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ca Fe O


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti V

Wyckoff_letters_orig: b c


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: S Sn Zn

species_pp: S Sn Zn

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Cr Nb O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Nb O Ti


species: Ca O V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Rh

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O V W

Wyckoff_letters_orig: b c e


species: Cr Fe O


species: Fe Ni O

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Mn O W

sg:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: O Sn V

species_pp: O Sn V_sv


species: Fe O Sr

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr O Zr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sc Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Cs Nb O


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cl Hg Sr

species_pp: Cl Hg Sr_sv

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ni O Zn

species_pp: Ni_pv O Zn


species: O Sr Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Cr Nb O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Nb O Zn

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Cr Ni O


species: Fe O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: tetragonal-disphenoidal


species: O Sc Zr


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: f b e c

Wyckoff_letters: i i i i i i


species: Cd O Sn

species_pp: Cd O Sn


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr O V


species: Mg Mn O

crystal_class_orig: ditetragonal-dipyramidal


species: Gd Mn O

species_pp: Gd Mn_pv O

crystal_class: hexoctahedral


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Fe Nb O


species: Fe Mn O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i


species: Mg O Sr

Wyckoff_letters_orig: a e


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: e f h k k

Wyckoff_letters_orig: a b f f k

Wyckoff_letters: e f h k k

Wyckoff_letters: a b f f k


species: Br Cs Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: O V W


species: Nb O Ti

crystal_class_orig: dihexagonal-dipyramidal


species: O Sr Zn

species_pp: O Sr_sv Zn

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a b b

Wyckoff_letters: a a

Wyckoff_letters: a a b b


species: Fe O Zr

crystal_class: monoclinic-prismatic


species: Ni O Sn


species: O Sc V

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: Br Li Tl

crystal_class: ditetragonal-dipyramidal


species: Cr Mg O


species: Cr O Zr

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f


species: Cr Fe O

Wyckoff_letters: a h g


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Cr O Sn

species_pp: Cr_pv O Sn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Mn Nb O

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd Mg O

species_pp: Cd Mg_pv O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


crystal_class_orig: orthorhombic-pyramidal


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sc W

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d i


species: Nb O W

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters: a f


species: Cr O Sr


species: O Sr V


species: O Sr Ti


species: O Ti Zr

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a


species: O W Zr


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: tetragonal-scalenoidal


species: Mg Nb O

Wyckoff_letters_orig: a e


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Co O Zn

species_pp: Co O Zn


species: Ca Mn O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Cr O


species: Br Li Tl

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: Lu Nb O

species_pp: Lu Nb_sv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters: a e


species: O Ti V

crystal_class_orig: hexoctahedral


species: Au Cr O

species_pp: Au Cr_pv O


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Fe Mn O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h n

Wyckoff_letters: a c

Wyckoff_letters: g h n


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cl Hg K

species_pp: Cl Hg K_sv


species: Cr Nb O


species: Ni O Ti

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Ni O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Mn O Sn


species: Cr O Sr


species: Ca Co O

species_pp: Ca_sv Co O


species: Mg O Sr


species: Mn O V


Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Cr O Zr

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Fe O W

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Cl Hg Sb

species_pp: Cl Hg Sb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sr V


species: Fe O Sn

species_pp: Fe_pv O Sn

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

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


species: Fe O Ti


species: Ni O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Sc Sr


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: O Sc Ti


species: O Sc V

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d f

Wyckoff_letters: c c

Wyckoff_letters: c a


species: Cr Nb O

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Mg O W

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co Cu F

species_pp: Co Cu_pv F

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Zn Zr


species: Ni O Zn

species_pp: Ni_pv O Zn


species: S Sn Zn

species_pp: S Sn Zn


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O Rh

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e e e

Wyckoff_site_symmetries: m m m m m m m m m


species: Bi O Ti


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters: a e


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: triclinic-pinacoidal


species: Cd Co O

species_pp: Cd Co O


species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Co Cr O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Ge Sn Te

species_pp: Ge_h Sn Te

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O Sc


species: Ca Mn O


species: Fe O W


species: Cr O Ti

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: Co O Sr

species_pp: Co O Sr_sv


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

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

Wyckoff_letters_orig: a h

Wyckoff_letters: f i h


species: O Sc Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cl Co Rb

species_pp: Cl Co Rb_sv

Wyckoff_letters_orig: c l

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Mn O Sr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sn Zr

species_pp: O Sn Zr_sv

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: O Sn Sr

species_pp: O Sn Sr_sv


species: Ca Cr O

Wyckoff_letters: i i i


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: f f


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Cr Fe O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: Ca Nb O

Wyckoff_letters_orig: b c i i i


species: Mg Te Zn

species_pp: Mg_pv Te Zn


species: Ni O Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cr O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mg O

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b b


species: Fe O W

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: a d


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Nb Ni O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: b e

Wyckoff_letters: c f


species: Cr Mn O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: b c


species: Ca Mn O


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b f


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: a b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b


species: O Ti V

Wyckoff_letters_orig: b c e


species: Ca O Ti

Wyckoff_letters_orig: f f


species: Ca Ni O


species: Co Cr O

species_pp: Co Cr_pv O


species: O Sr W


species: Ca O Sr

Wyckoff_letters_orig: a b


species: Mg Nb O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Mg O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: Cr Cu O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ca Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Ho Sn

species_pp: Au Ho_3 Sn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ca O W

crystal_class: hexoctahedral


species: Ni O Sc


species: Co O Sr

species_pp: Co O Sr_sv


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ni O Zr

Wyckoff_letters_orig: a b b


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg O Sc

Wyckoff_letters: a b


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: dihexagonal-dipyramidal


species: Cr Ni O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: d c


species: Co Mg O

species_pp: Co Mg_pv O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mg S Sn

species_pp: Mg_pv S Sn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Ti V

crystal_class_orig: tetrahedral


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: e f


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ni O Sr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O V W

Wyckoff_letters_orig: a f


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: ditrigonal-pyramidal


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters: c c


species: Fe Ni O


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Br Rb Sb

species_pp: Br Rb_sv Sb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ca Cr O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f


species: Mg Mn O

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cr Ni O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Cr Nb O

Wyckoff_letters: a b b


species: O Ti V

Wyckoff_letters_orig: a i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i


species: Mn O Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b c

Wyckoff_letters: a d

Wyckoff_letters: b c


species: Mn O Ti


species: Mn O V


species: Cl Co Cr

species_pp: Cl Co Cr_pv

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Fe Nb O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Mn O Sc


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters: g k


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: trigonal-trapezoidal


species: Ni O Zr

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Fe O Sc

Wyckoff_letters_orig: b c e


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cr O Zn

species_pp: Cr_pv O Zn


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg Pb S

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a

Wyckoff_letters: a a b b


Wyckoff_letters_orig: b i i i

Wyckoff_letters: i i

Wyckoff_letters: b i i i


species: In Nb O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ge S Sn

species_pp: Ge_h S Sn

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a b c d d d d d

Wyckoff_letters_orig: a b c

Wyckoff_letters: d d

Wyckoff_letters: a b c d d d d d

Wyckoff_letters: a b c


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: Ge Pb Te

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ni O W

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a


species: Ca Mg O


species: Cr O V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc W

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

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O V Zn

species_pp: O V_sv Zn

sg:
I4/mmm #139
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: a c

Wyckoff_letters: g h n

Wyckoff_letters: a c


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class: dihexagonal-dipyramidal


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cr O Sc


Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O Sr

sg2:
Immm #71
Immm #71
Immm #71


species: Nb O W


species: Co O V

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Na O Ta

crystal_class: tetrahedral


species: I Mg Pb

Wyckoff_letters: c c d


species: O Rb Ta

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: f e e

Wyckoff_letters: g g

Wyckoff_letters: f e e


species: Nb O Pb

crystal_class_orig: triclinic-pedial

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

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


species: H Hf Pd


species: Ni Si V

crystal_class_orig: hexoctahedral


species: Al H O

species_pp: Al H O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca K O

Wyckoff_letters_orig: c g g

Wyckoff_letters_orig: a d g

Wyckoff_letters: c g g

Wyckoff_letters: a d g


species: Cl Nb Rb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Na Nb

Wyckoff_letters_orig: e g h

Wyckoff_letters_orig: a b


species: Cl Li Rb

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: b b b a a a a a

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: b b b a a a a a

Wyckoff_letters: b b

Wyckoff_letters: b b b a a a

Wyckoff_site_symmetries: m m m m m m m m

Wyckoff_site_symmetries: m m m m m m


species: Li Na O

sg:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca F Rb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: F Li Pb

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


species: Li Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: K O Pb

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: a h


species: Ca I Rb


species: Cs I Ta

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52