species: Mg O V

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sn Zr

species_pp: O Sn Zr_sv

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

point_group_type_orig: centrosymmetric

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

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

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

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


species: Cd O Sr

species_pp: Cd O Sr_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: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a h

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

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ca O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: c i

Wyckoff_site_symmetries: m m 1


species: Ni O V

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c f f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c f f


species: O Ti V

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a a a

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: Mn Ni O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: b e

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b e


species: Cr Ni O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_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


aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Nb O Zr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_structure: cyclic

Wyckoff_letters: a a a

Wyckoff_letters: a a

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m


species: Co O Ti

species_pp: Co O Ti_sv

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

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 f

Wyckoff_letters: g h


species: Cu Ni O

sg2:
Pm #6
Pm #6
Pm #6

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

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m m m m m 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 a a b

Wyckoff_letters: a a b b

Wyckoff_letters: a a a a b b b b

Wyckoff_site_symmetries: m m m m

Wyckoff_site_symmetries: m m m m m m m m


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Cr Mg O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters: b a


species: Mg S Sn

species_pp: Mg_pv S Sn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: c e

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: c e


species: Bi O Ti

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: As Au Ba

species_pp: As Au Ba_sv

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ca O W

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Fe Mn O

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: c d

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Mg Pb Se


species: O W Zr

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: Co O V

species_pp: Co O V_sv

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: O Sn Zr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Mn O


species: Ge Mg Te

Wyckoff_letters_orig: a c m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: a c m

Wyckoff_site_symmetries: mmm mmm ..2


species: Cr Fe O


species: Ca Nb O

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Wyckoff_letters_orig: a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: a a a a a a


species: Cr O Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Br Co Mn

species_pp: Br Co Mn_pv

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: g h g


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Co O Sn

species_pp: Co O Sn

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

Wyckoff_letters_orig: b e

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

Wyckoff_letters: b e


species: Ca O Zr


species: Co O Sc

species_pp: Co O Sc_sv


species: Cr O Sn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Cr O

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Co O W

species_pp: Co O W_pv

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: N Ta Ti


species: Fe O V

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Fe O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: i i

Wyckoff_letters: a i i i

Wyckoff_site_symmetries: 2/m m m m


species: Mn O V


species: O Sn W

species_pp: O Sn W_pv


species: Co Nb O

species_pp: Co Nb_sv O

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Mn O W


species: O V Zr

Wyckoff_letters_orig: a c


species: O Ti V

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pb Se Sn

species_pp: Pb_d Se Sn

crystal_class_orig: tetragonal-trapezoidal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: d d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a c

Wyckoff_letters: d d


species: Mg O W

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: c c

Wyckoff_letters: a a


species: Ca Ni O


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Wyckoff_letters: i i i i i


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Nb O W

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cl Hg Tl

species_pp: Cl Hg Tl_d

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Fe O V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Co O V

species_pp: Co O V_sv


Wyckoff_letters_orig: a a a

Wyckoff_letters: b i


species: Cr O Sr


species: Ca O Sc


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: O Sn W


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Fe O Sc

Wyckoff_letters_orig: c c


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ti Zr

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Co F Sc

species_pp: Co F Sc_sv

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Co Ni O

species_pp: Co Ni_pv O


species: Mn O V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: e f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e f


species: O Sn Ti

Wyckoff_letters_orig: f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f

Wyckoff_letters: f f


species: Co F Hg

species_pp: Co F Hg


species: Cl Cu Rb


species: F Ga Mn


species: Cr O V

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca Mn O

crystal_class: ditrigonal-pyramidal


species: O Ti V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Sc


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Ca Ir Si

species_pp: Ca_sv Ir Si

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: O Sc V


species: O V W

aflow_prototype_params_list_relax: a b/a c/a x3


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Cr Dy Ge


species: Cd O Zr

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Cd O V

species_pp: Cd O V_sv


species: O Sn Zn

species_pp: O Sn Zn


species: Cr Ni O


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: c c c

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

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c

Wyckoff_letters: c c c

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


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mn O Sr

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


species: Fe O V

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Ge S Sn

species_pp: Ge_h S Sn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Ni O Sc

crystal_class_orig: ditrigonal-pyramidal


species: Fe Mg O


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: O Sn Zr

species_pp: O Sn Zr_sv


Bravais_lattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr O Ti


species: Ca O Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mg O V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g

crystal_class: dihexagonal-dipyramidal


species: Cr F Li

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O Sc


species: Co O W

Wyckoff_letters_orig: c e f

Wyckoff_letters_orig: a e

Wyckoff_letters: c e f

Wyckoff_letters: a e


species: Nb O Ti

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: c g


species: Cr O Sc


species: Mn O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cu Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Ca O Zr

crystal_class_orig: tetragonal-dipyramidal


species: Mg O W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: c f


species: Ca Mn O

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Br Cu Tl


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cd O Zn

species_pp: Cd O Zn

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71


species: O W Zr

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: 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: Br Cs Na


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca O W

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ge Pb S

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

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a h

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: f i h


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: d g


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Cd O Sn

species_pp: Cd O Sn


species: Ni O Ti

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Co Ni O

species_pp: Co Ni_pv O


species: Ge S Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O V

crystal_class_orig: hexagonal-pyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: F Hf Mg

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Fe Mn O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co O Zr

species_pp: Co O Zr_sv


species: Mg Mn O

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: O P Sn

species_pp: O P Sn

crystal_class_orig: triclinic-pinacoidal

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

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

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

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: c f


species: O Sr Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: O Sc V

crystal_class: hexagonal-dipyramidal


species: Co O V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Mn O


species: Cr O W

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O V

Wyckoff_letters_orig: a b


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d


species: Bi O Ti

Wyckoff_letters_orig: c d


species: Co Fe O

Wyckoff_letters_orig: a c


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca O V

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

Wyckoff_letters_orig: g h n

Wyckoff_letters_orig: g h

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a c

Wyckoff_letters: g h n

Wyckoff_letters: g h

Wyckoff_site_symmetries: mmm mmm


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: dihexagonal-dipyramidal


species: O Sc Sr


species: O Ti W


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: O Sn Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd O Zr

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: e f


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: rhombohedral


species: Mn Ni O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f f f f


species: Co O Sc

species_pp: Co O Sc_sv


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters: c a


species: Cd Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co Ni O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Ni Rb


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a


species: Nb O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mg S Zn

species_pp: Mg_pv S Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a e


species: Ca Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb O V


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mo O Re


species: O V Zn

species_pp: O V_sv Zn


species: Ni O Sr


species: Mg Mn O


species: Mg O V

crystal_class_orig: orthorhombic-bipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters: a e


species: O Sn V

species_pp: O Sn V_sv


species: Ca Co O

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe O Ti

crystal_class: tetragonal-dipyramidal


species: Cr O W


species: Br Cr Tl

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b g

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c g g g

Wyckoff_letters: a d

Wyckoff_letters: b g


species: Ni O V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ba Se Sn

species_pp: Ba_sv Se Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ni O W

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f f


species: Ca O Sr

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: O Sc V


species: O Sn Zn

species_pp: O Sn Zn


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-scalahedral


species: Mg Se Sn

species_pp: Mg_pv Se Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O W Zr


species: Mg Ni O


species: Nb O Sc

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Nb O Zr

Wyckoff_letters: a f


species: O Sc Sr

crystal_class: dihexagonal-pyramidal


species: Ca Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g h n

Wyckoff_letters: a c

Wyckoff_letters: g h

Wyckoff_letters: g h n


species: Cr Fe O


species: Br Cu Hf

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: a d


species: Bi O Ti

Bravais_lattice_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF


species: Mg O Zn

Wyckoff_letters_orig: a f


species: O Sc Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class_orig: ditrigonal-pyramidal


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: O Sr Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O W Zn

species_pp: O W_pv Zn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ni O Ti


species: Cd O W

species_pp: Cd O W_pv

crystal_class: ditetragonal-dipyramidal


species: Cr Ni O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ca O Ti

crystal_class_orig: tetragonal-dipyramidal


species: Mn O Zr

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Cd O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: b d

Wyckoff_letters: d i

Wyckoff_letters: b d


species: Mn Nb O


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Cd O V

species_pp: Cd O V_sv


species: S Sn Zn

species_pp: S Sn Zn

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Ca Ni O


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O Zn

species_pp: Co O Zn


species: O Pb Tm

species_pp: O Pb_d Tm

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni O Sr

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O V Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Mn O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Mg Te Zn

species_pp: Mg_pv Te Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c e


species: In Ir Yb

species_pp: In_d Ir Yb


species: O Sc Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: F Li Ni

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Mg O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cl Ta Tl

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

Wyckoff_letters: e l

Wyckoff_letters: b f


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: b c c c c c

Wyckoff_letters_orig: b b c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: b c c c c c

Wyckoff_letters: b b c c


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ga Pd Tb


species: Cr Fe O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sr Ti

Wyckoff_letters_orig: a e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: a e e

Wyckoff_site_symmetries: -1 m m


species: F Sb Sn

species_pp: F Sb Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Co O V

species_pp: Co O V_sv


species: Mn O Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Ca Co O

species_pp: Ca_sv Co O


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class: ditrigonal-scalahedral


species: Nb O Zn

species_pp: Nb_sv O Zn


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: a c

Wyckoff_letters: c c d

Wyckoff_letters: a c


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a d


species: Co O Sn

species_pp: Co O Sn


species: Ca O Sr


species: Mg Nb O

crystal_class: dihexagonal-dipyramidal


species: Ca Cr O


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Ca Mn O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Co Fe O

species_pp: Co Fe_pv O


species: Cr Mg O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: g i i j

Wyckoff_letters: i i

Wyckoff_letters: g i i j


species: F Fe Hg

species_pp: F Fe_pv Hg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: O V W

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn Sr

species_pp: O Sn Sr_sv

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters: e f

Wyckoff_letters: a f

Wyckoff_letters: e f f f f


species: O Sn Zr

species_pp: O Sn Zr_sv

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca F K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ca O Zn

species_pp: Ca_sv O Zn


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Bi O Ti


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Cu Nb O

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Cs I Ta

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Li Nb O

Wyckoff_letters_orig: a b f

Wyckoff_letters_orig: c k

Wyckoff_letters: a b f

Wyckoff_letters: c k


species: P Sb Zr

species_pp: P Sb Zr_sv


species: Er Pd Si


species: Ga Nb S

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: e e

crystal_class: tetrahedral

Wyckoff_letters: e e


species: B F Na

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: g g g g g g

crystal_class: rhombohedral

Wyckoff_letters: g g g g g g


species: Cl Ni O

species_pp: Cl Ni_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Cl F Pb

species_pp: Cl F Pb_d


species: Cl Mg Nb

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Li O Pb

sg:
Cc #9
Cc #9
Cc #9

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: Cs I Rb

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Mg O Si

species_pp: Mg_pv O Si

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cl K Mg

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: I Na Nb

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n n

Wyckoff_letters_orig: a c

Wyckoff_letters: o i


species: Li Na O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e j

Wyckoff_letters: a f


species: Er Rb S

crystal_class_orig: ditrigonal-scalahedral


species: La Ni O

species_pp: La Ni_pv O

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Al Cr O

species_pp: Al Cr_pv O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: b e e

Wyckoff_letters: b g


species: Fe Ho O

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Cr O Pm

species_pp: Cr_pv O Pm

crystal_class: hexoctahedral


species: O Sn Sr

Wyckoff_letters_orig: e f

Wyckoff_letters: b f


species: Co O Sm

species_pp: Co O Sm_3


species: Cr Dy O


species: Ho O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d e e g

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: c d e e g

Wyckoff_letters: a e


species: Dy O Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b b b b b b b

Wyckoff_letters_orig: b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b b b b b b b

Wyckoff_letters: b b


species: Ce O V

species_pp: Ce O V_sv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c c d

Wyckoff_letters: a c c d

Wyckoff_letters: a c


species: Li O Pb

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Cmce #64
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a f

Wyckoff_letters: a g


species: F K Na

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b a a

Wyckoff_letters_orig: b a a

Wyckoff_letters: l a b

Wyckoff_letters: c k

Wyckoff_site_symmetries: 2mm mmm mmm


species: S Se Zn

species_pp: S Se Zn

Egap_DOS_type: insulator

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a a a


species: Gd O Sm

species_pp: Gd O Sm_3

Egap_DOS_type: metal

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Ca Cu O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Dy Fe O

Wyckoff_letters_orig: a c


species: Bi Cs I

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: d e

Wyckoff_letters: e e e


species: Fe O Sm

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pb Se Sn

species_pp: Pb_d Se Sn

crystal_class_orig: hexoctahedral


species: Mg Mn O

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Nb O

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Sr Ti

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Cd O Sc

species_pp: Cd O Sc_sv

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca Cr O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: b g g


crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Sn Te Zn

species_pp: Sn Te Zn

crystal_class_orig: triclinic-pinacoidal


species: Co O Zn

species_pp: Co O Zn


species: O Ti V


species: Ni O W


Wyckoff_letters_orig: a e


species: O Sn Zn

species_pp: O Sn Zn

crystal_class_orig: diploidal

Wyckoff_letters_orig: e f h

crystal_class: diploidal

Wyckoff_letters: e f h

Wyckoff_letters: b e


species: Cr Mn O


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class: orthorhombic-pyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class: ditrigonal-scalahedral


species: As C Cr

species_pp: As C Cr_pv

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Mn O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: g i i j

Wyckoff_letters: i i

Wyckoff_letters: g i i j


species: Cd O Zn

species_pp: Cd O Zn


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Ca O Zr


species: Cr Fe O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a d

Wyckoff_letters: d d f g

Wyckoff_letters: d d

Wyckoff_letters: a d


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mg O W


species: O Ti Zr


species: Ca Co O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ge Sn Te

species_pp: Ge_h Sn Te


species: Ni O Sc


species: Ca Cr O


species: Mg O Sn

species_pp: Mg_pv O Sn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: O Sb Yb

species_pp: O Sb Yb

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: g g

Wyckoff_letters: c e


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Ti

species_pp: Cd O Ti_sv

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg Ni O

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: Fe O Zn

species_pp: Fe_pv O Zn


species: Mn O W


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Fe O


species: Co Fe O

species_pp: Co Fe_pv O


species: Ca O Ti

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Nb O W


species: Nb O Zr


species: O Sc V


species: Cr O Sn

species_pp: Cr_pv O Sn


sg:
Cmcm #63
Pmma #51
Pmma #51

sg2:
Cmcm #63
Pmma #51
Pmma #51


species: Mn O Sc


species: Cr O W


Wyckoff_letters: a c


species: Mn O Sn

species_pp: Mn_pv O Sn

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Ni O Zr


species: Fe Mn O


species: Mn Ni O

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Br Rb Sb

species_pp: Br Rb_sv Sb

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: O V W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cl Co Cs

species_pp: Cl Co Cs_sv

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cr Mn O

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


species: Cu Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i

Wyckoff_letters: a i i i


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Ca Cr O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e f f

Wyckoff_letters: e e

Wyckoff_letters: e f f


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Mg O Zr


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Nb O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c

Wyckoff_letters: c h


species: Cd Cr O

species_pp: Cd Cr_pv O


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Ca O Sc

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Ni O Ti


species: Mg O Ti

Wyckoff_letters: a d


species: Co Fe O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Mn O


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: F Fe Ni

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Cr Ni O


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class: hexoctahedral


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: i i j j j

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i


species: Ca Mo O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: g i i j

Wyckoff_letters: i i

Wyckoff_letters: g i i j


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Sn Zr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Fe O Sn

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: hexoctahedral

Wyckoff_letters: a c


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mg Nb O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal


species: Co O Zn

species_pp: Co O Zn


species: Ni O Zn

species_pp: Ni_pv O Zn


species: O Ti V

crystal_class: orthorhombic-bipyramidal


species: Fe Nb O

crystal_class_orig: ditetragonal-dipyramidal


species: Fe O W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mg Pb S

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe Mn O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Ti W

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Zr


species: Mn O Zr


species: Fe O Ti

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


sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a

Wyckoff_site_symmetries: m m m m m


species: Mn O V

crystal_class: ditrigonal-scalahedral


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Co O


species: Fe Mg O


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters: a i i i i i


species: Mg O W

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c


species: Ca Nb O

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-pyramidal


species: Cd Mn O

species_pp: Cd Mn_pv O


species: O Ti Zn


crystal_class_orig: orthorhombic-bipyramidal


species: Mg O Sr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co O Zn


species: Mg Ni O


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Nb O Zr


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a d


Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sr Ti


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O Ti

species_pp: Co O Ti_sv


species: O Sc Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Ca O Ti

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: ditrigonal-scalahedral


species: Ca O Sc

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i j

Wyckoff_letters: f g

Wyckoff_letters: h n


species: Co O Zr

species_pp: Co O Zr_sv


species: Nb O Sr


species: Ca Mn O

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: O Sn Sr

species_pp: O Sn Sr_sv


Wyckoff_letters: c e


species: Fe O Zr


species: Co O Sc

species_pp: Co O Sc_sv

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Pb Te


species: Ca O Sr


species: Cr Nb O


species: Ni O Sc


crystal_class_orig: ditrigonal-pyramidal


species: Nb O Sc


species: Ni O W


species: Ge Se Sn

species_pp: Ge_h Se Sn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cr Mn O


species: Mg O V


species: Mg Pb S

Wyckoff_letters_orig: c e


species: Fe O Sc

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: F K Nb

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a g

Wyckoff_letters: e h i

Wyckoff_letters: a g


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i


species: Co O Sr

species_pp: Co O Sr_sv

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Mg Ni O


species: Ca O Zr

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: b b c c c c c c

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b c

Wyckoff_letters: b b c c c c c c

Wyckoff_letters: a b b b


species: O Sn Zr

crystal_class: ditrigonal-pyramidal


species: F Ga Na

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e k i

Wyckoff_letters: a c

Wyckoff_letters: b j


species: Ca Mg O

Wyckoff_letters_orig: b i

Wyckoff_letters: b e


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: b c c c

Wyckoff_letters: b c c c


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: hexoctahedral


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Sn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Mn O Sr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O W

species_pp: Co O W_pv


species: Cr Nb O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Ti


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b c c


species: Cr O Ti


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Ca Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ca O Sr


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Cd O Zn

species_pp: Cd O Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: a d


species: Fe O Ti


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c d e e e e

Wyckoff_letters_orig: a b c d

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c d e e e e

Wyckoff_letters: a b c d


species: Co Mg O

species_pp: Co Mg_pv O


species: Ni O Zr


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Pb Te Zn

species_pp: Pb_d Te Zn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a c


species: Mg O Zr


species: Fe O Sc

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: O Ti Zr

Wyckoff_letters_orig: a c


species: Cd Mg O


species: Cr O W

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e


species: Cu Mg O

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Mg O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: e c


species: Cr Nb O

Wyckoff_letters_orig: g h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: g h


species: Mn O V

crystal_class_orig: tetragonal-pyramidal


species: Co F Tl

species_pp: Co F Tl_d

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Cd O W

species_pp: Cd O W_pv


species: O Ti W


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species_pp: Cd Mg_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Cr Fe O


species: Cr Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: i i i

Wyckoff_letters: i j


species: Mg Se Sn

species_pp: Mg_pv Se Sn

crystal_class: rhombohedral


species: Nb O W


species: Ag Bi I

species_pp: Ag Bi_d I

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mn Ni O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Mg O


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr Mg O


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Nb O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Co Ni O

species_pp: Co Ni_pv O


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Ni O Sc

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: Fe Mg O

crystal_class: ditrigonal-scalahedral


species: O Sc Sr

Wyckoff_letters_orig: a c


species: Fe O Sc

Wyckoff_letters: c e


species: Cr O W

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: O Sc Zr


species: Cr O Ti


species: Ni O Ti

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e


species: Ca O Sc


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe O Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti W


species: Cu F Fe

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cd O W


species: Ni O W


species: Mn Nb O

Wyckoff_letters: a c


species: F Hg Rb

species_pp: F Hg Rb_sv

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: O Sr Ti


species: Mg O V

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ca O Zr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Mn O Sc

crystal_class_orig: rhombohedral


crystal_class_orig: ditetragonal-pyramidal


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Mn O Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g h n

Wyckoff_letters: e c


species: Fe Mn O

crystal_class_orig: orthorhombic-pyramidal


species: Cr Ni O


species: Co Mn O

species_pp: Co Mn_pv O


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Mg Se Sn


species: Co O W

species_pp: Co O W_pv


species: Cr O Zr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: h g i

Wyckoff_letters: g h i


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a c

Wyckoff_letters: e f


species: Cd O Zn

species_pp: Cd O Zn


species: Mn O V


species: Ni O Zr


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: ditrigonal-pyramidal


species: Co O Zn

species_pp: Co O Zn

sg:
Cmce #64
Fmmm #69
Fmmm #69


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: a e


species: Mn O Ti

crystal_class_orig: monoclinic-prismatic


species: O V W


species: O Sc Zr


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: K O Sn

species_pp: K_sv O Sn


species: Cd O Sr


species: Nb O Zr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni O V


species: O Ti V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca Nb O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W Zn

species_pp: O W_pv Zn


species: Al H Na

species_pp: Al H Na_sv

Wyckoff_letters_orig: e h i

Wyckoff_letters: e h i


species: F Hg Ti

species_pp: F Hg Ti_sv

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Lu O Pb

species_pp: Lu O Pb_d

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O Sc


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O W Zr

Wyckoff_letters_orig: e e


species: Fe Ni O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: O Ti Zr


species: Fe Mg O

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Ge Mg S

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: d d f g

Wyckoff_letters: d d

Wyckoff_letters: d d f g


species: Co Ni O

species_pp: Co Ni_pv O


species: Co O Zr

species_pp: Co O Zr_sv


species: Nb O Sr

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Ca O V


species: Cr F Rb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Fe O

species_pp: Cd Fe_pv O

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditetragonal-dipyramidal


species: Cr Fe O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Cr O Zr

Wyckoff_letters_orig: a e f

Wyckoff_letters: a c f


species: Cr Mg O

crystal_class: hexagonal-pyramidal


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c c c


species: Cs I Nb

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g g

Wyckoff_letters: i j


species: Cs I Ta

crystal_class_orig: tetragonal-scalenoidal


species: I Li Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: c f

Wyckoff_letters: h i

Wyckoff_letters: c f


species: I Nb Pb

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Li Nb O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

crystal_class_orig: orthorhombic-bipyramidal


species: I Li Mg

Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: I K Ta

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Co In Zr

crystal_class: ditetragonal-dipyramidal


species: Mn O Si

species_pp: Mn_pv O Si

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i

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


species: Mn Sb Sr


species: Mn Rh Sn

crystal_class: hexoctahedral


species: Co O Y

species_pp: Co O Y_sv


species: Cs O V

Wyckoff_letters_orig: a a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c


species: Ge Li Pd


species: Co Ge Nd

species_pp: Co Ge_h Nd

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Na Nb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Pb Ta

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Co Nd Si

species_pp: Co Nd Si


species: B Dy Ru

crystal_class_orig: dihexagonal-dipyramidal


species: Cs K O


species: Li Mg O

Wyckoff_letters_orig: d e

Wyckoff_letters: g f


species: K Li O

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

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


sg:
Pnma #62
Pnma #62
Cmmm #65

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal


species: K O Ta

Wyckoff_letters_orig: g f


species: Ca Ga O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i


species: Nd O Ti

species_pp: Nd O Ti_sv

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Cu O Pr

species_pp: Cu_pv O Pr

crystal_class: tetragonal-scalenoidal


species: O Pr Sm

species_pp: O Pr Sm_3


species: Ni O Pm

species_pp: Ni_pv O Pm

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sm V

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cl Li Pb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Cr O Sm

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Gd O V

species_pp: Gd O V_sv


species: F Pb Ta

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: b c

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: e a


species: Ce Fe O

species_pp: Ce Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c e e g

Wyckoff_letters: a e

Wyckoff_letters: e e

Wyckoff_letters: c e e g


species: Co Er O

species_pp: Co Er_3 O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu Dy O


species: Cu Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: b i

Wyckoff_letters: b e


species: Eu O V

species_pp: Eu O V_sv


species: Cu Ni O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: d g


species: Cs I Pb


species: Ru Ti V

crystal_class_orig: hexoctahedral


species: Ce Cu O

species_pp: Ce Cu_pv O


species: Fe O Sc

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: F Fe Na

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Cr Fe O

Wyckoff_letters: g g


species: Ca O V


species: Ca Nb O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: c i i

Wyckoff_letters: a i i


species: Nb O Sc


species: Ca Ni O

crystal_class: ditrigonal-scalahedral


species: Ca O Sr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Co O Sc

species_pp: Co O Sc_sv


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca O Ti


species: Fe Mn O


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Mn O Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb Ni O


species: Mg O Sc

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: i i i

Wyckoff_letters: b i

Wyckoff_letters: i i i


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Co O Zn

species_pp: Co O Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a


species: F K Sm

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: f f


species: Co O W

species_pp: Co O W_pv

crystal_class: dihexagonal-dipyramidal


species: Mg O Sr

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Fe O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Ca Mg O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g g


species: Cr O W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Ca Fe O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i

Wyckoff_letters: i i j j j


species: O Sc V


species: Nb O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O W Zr


species: Fe O Zr


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Ca O V


Wyckoff_letters_orig: a b


species: Mn O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i


species: O V W

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cr Fe Sn


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: b c

Wyckoff_letters: a d


species: Cr O V

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: b a

Wyckoff_letters: c c c a b

Wyckoff_letters: c c


species: Ni O V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: O Sc Ti


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a a c

Wyckoff_letters_orig: c c

Wyckoff_letters: a a c


species: Nb O Ti

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: O Ti V


species: Ca O Sr


species: O Sc Zr

Wyckoff_letters_orig: d i


species: Ca Ni O


species: Ca Cd O

species_pp: Ca_sv Cd O


crystal_class_orig: dihexagonal-pyramidal


species: Ca Fe O

crystal_class: monoclinic-prismatic


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Cr Mn O

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

Wyckoff_letters_orig: f f

crystal_class: ditetragonal-dipyramidal


species: Cd Co O

species_pp: Cd Co O


species: Bi O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Cd O Sn

species_pp: Cd O Sn


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co O Sn

species_pp: Co O Sn


species: Ca Co O

species_pp: Ca_sv Co O


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Cl Cs Hf


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters: f f


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Mn O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr O Zn

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Cl Na Nb


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd O W

species_pp: Cd O W_pv


species: Ca Mg O


species: Bi Cs I


species: O Sr V


species: O Ti Zr


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg O Ti


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O Ti


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Sn Te Zn

species_pp: Sn Te Zn


species: Mn Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe O Ti


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b g


species: Cd O Sn


species: Ce Rh Sn

species_pp: Ce Rh_pv Sn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c f

Wyckoff_letters: a c

Wyckoff_letters: c c f


species: Fe O Sn

species_pp: Fe_pv O Sn

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a b b b

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

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m 1 1 1

Wyckoff_letters: a a a b b b

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

Wyckoff_letters: a a a

Wyckoff_site_symmetries: m m m m m m m m m 1 1 1


species: Mn O Sr


species: Fe Mg O

sg2:
Immm #71
Immm #71
Immm #71


species: Mg O Sr


species: Cl Hg Tl

species_pp: Cl Hg Tl_d

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: O Sc Ti


species: Ca Cr N

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co O W

species_pp: Co O W_pv


species: Mg O Ti

Wyckoff_letters_orig: b c e


species: Cr O Sc

Wyckoff_letters_orig: e f

Wyckoff_letters: c f


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr O Sn

species_pp: Cr_pv O Sn


species: O Ti Zr


species: Ca Nb O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Mg Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: a e


Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: Mg O Zr


species: Ca Mg O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cd O Ti

species_pp: Cd O Ti_sv

sg:
Immm #71
Immm #71
Immm #71


species: Na O Si

species_pp: Na_sv O Si

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Co Mn O

species_pp: Co Mn_pv O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Mn O

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: I O Pb

species_pp: I O Pb_d


species: O W Zn

species_pp: O W_pv Zn


species: Cr Fe O


species: Mn O Ru

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Zn

species_pp: Ca_sv O Zn

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters: b f


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ni O


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: b e g

Wyckoff_letters: b e g


species: Mn O Ti


species: Ca Co O

species_pp: Ca_sv Co O


species: Co Cr O

species_pp: Co Cr_pv O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cr Mn O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c


species: Mn O V

crystal_class: hexoctahedral


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: h j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i

Wyckoff_letters: h j

Wyckoff_letters: a i


species: Fe O V


species: Br Ta Tl

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: a c

Wyckoff_letters: b g


species: Mn O W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Fe O

species_pp: F Fe_pv O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e j

Wyckoff_letters: e j


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Nb O V


Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: c a e

Wyckoff_letters: i i j


species: Ca Cr O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a f


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class: dihexagonal-pyramidal


species: S Sn Zn

species_pp: S Sn Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a b d d d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b d d d


species: Co Nb O

species_pp: Co Nb_sv O

crystal_class: orthorhombic-bipyramidal


species: O Sc Ti

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Co O Sc

species_pp: Co O Sc_sv


species: Ni O Ti


species: O Sr W

Wyckoff_letters_orig: a a

Wyckoff_letters: a b


Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Co O V

species_pp: Co O V_sv


species: Ca O Ti


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Fe Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: a b


species: Ca O Sr

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr O V

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Cd O Zr

species_pp: Cd O Zr_sv


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetrahedral


Wyckoff_letters_orig: a e g

Wyckoff_letters_orig: b e

Wyckoff_letters: a e g

Wyckoff_letters: b e


species: O Sr V


species: Co Fe O

species_pp: Co Fe_pv O


species: Br Cr Cu

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr O Ti

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Nb O Sc

Wyckoff_letters_orig: c f


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Cr Mn O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Bi O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: O V Zr

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe Mg O


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Mn O Ti

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditrigonal-scalahedral


species: Mn Nb O


species: S Sn Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Nb O Ti


species: Cd O W

species_pp: Cd O W_pv


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Rh Yb

species_pp: O Rh_pv Yb

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Co O W

species_pp: Co O W_pv


species: Ni O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Ni O


species: Ca Cr O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Sn

species_pp: Cd O Sn


species: O Ti Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Ti W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Sr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Nb O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nb O W


species: O Sr W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca Mn O

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Cr Ni O


species: O Sn Sr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Mg O Ti

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd O Zn

species_pp: Cd O Zn


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Ca Mg O


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sc Sr


species: Cr Mg O


species: Co O Sn

species_pp: Co O Sn

crystal_class: tetragonal-disphenoidal


species: B Nd O

species_pp: B_h Nd O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg Mn O

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: O V Zn

species_pp: O V_sv Zn


species: Co O Sr

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Ge Se Zn

species_pp: Ge_h Se Zn

Wyckoff_letters_orig: c e


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O W


species: Mg Te Zn

species_pp: Mg_pv Te Zn


species: Mg Pb S

Wyckoff_letters_orig: i i i

crystal_class: rhombohedral


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c

Wyckoff_letters: i i

Wyckoff_letters: a d


species: Ca O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Zn

species_pp: Ca_sv O Zn


species: O V W

Wyckoff_letters_orig: g g g h

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g h

Wyckoff_letters: e g


species: Fe O Sr

crystal_class: ditrigonal-scalahedral


species: Hf O Si

species_pp: Hf_pv O Si

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

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

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

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


species: Fe O V


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ge Se Sn

species_pp: Ge_h Se Sn

crystal_class_orig: rhombohedral


species: Nb O W


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mg Nb O

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Cr O V

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Fe O Sc


species: Ca Mn O


species: Ho Mn O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Mn O Sn

species_pp: Mn_pv O Sn

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca O Zr

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mn O Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu F Sc

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e


species: Cr Mg O


species: Cr O Sr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: Cr Ni O


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Cr Mn O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a

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


species: Mn O Sc


species: Cd O Sc

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca O Sc


species: Ni O Ti


species: Nb O V

crystal_class_orig: orthorhombic-pyramidal


species: Pb S Zn

species_pp: Pb_d S Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a h

Wyckoff_letters: i i j


species: Ca Nb O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mn O Sr

crystal_class_orig: tetragonal-scalenoidal

crystal_class: ditetragonal-dipyramidal


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Cd Cr O

species_pp: Cd Cr_pv O

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters: d j


species: Mg Mn O


species: O Sr Ti


species: Cr O Sc

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O Zr

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: ditetragonal-dipyramidal


species: Ca O Sr


species: Cr O Zn

species_pp: Cr_pv O Zn


Wyckoff_letters: c g


species: Ca O Zn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Co Cr O

species_pp: Co Cr_pv O


species: Fe Mg O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters: a b


species: Ca O Sc

Wyckoff_letters: d g


species: Ca O Ti

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class: monoclinic-domatic

Wyckoff_letters: b a


species: Mn O V

crystal_class_orig: monoclinic-sphenoidal

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 a a a a a a

Wyckoff_letters: a a


species: O Ti Zn

species_pp: O Ti_sv Zn

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Pb S Sn

species_pp: Pb_d S Sn


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: b c i i i


species: Cr Nb O


species: O Ti W


species: Cd Ni O


species: Cl Cr K


species: O Ti V

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Ca O Zr


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: F Hf Tl

crystal_class: tetragonal-scalenoidal


species: Cd Cr O

Wyckoff_letters_orig: a a a


species: Ca Cr O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c h

Wyckoff_letters: a c

Wyckoff_letters: c h


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Ca O V

crystal_class_orig: tetragonal-dipyramidal


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Cd Mg O

species_pp: Cd Mg_pv O


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: f c


species: Cr O Sr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Mg Mn O


species: Mn O Zr


species: Bi O Ti

Wyckoff_letters_orig: a b


species: O Sc Zr


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Ti

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species_pp: Cd Cr_pv O


species: Ni O W

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a a a a

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

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


species: Ca K O


species: Ca Li O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: I K Mg

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


species: K Li O

crystal_class: tetragonal-dipyramidal


species: Na Nb O

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: a k

Wyckoff_letters: b g

Wyckoff_letters: a k


species: O Rb Ta

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Cs I Nb

Wyckoff_letters_orig: e e

Wyckoff_letters: g h


species: Li O Rb


species: Fe K S

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba Cu F

Wyckoff_letters_orig: c f g

Wyckoff_letters: c d e


species: Ag O Te

species_pp: Ag O Te

Wyckoff_letters_orig: b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b


species: Na O Ti

Wyckoff_letters: i i i i


species: Cr F Na

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: a b e h

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Ba In P

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ga Nd Pt

species_pp: Ga_h Nd Pt

sg:
Pnma #62
Pnma #62
Cmcm #63


species: F Mg Rb

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: a c

Wyckoff_letters: i j

Wyckoff_letters: a c


species: K Nb O


species: Nb O Pb

Wyckoff_letters_orig: a b c e o

Wyckoff_letters_orig: m m n n o o

Wyckoff_letters_orig: m n

Wyckoff_site_symmetries_orig: m m m m 1 1

Wyckoff_letters: b a e c o

Wyckoff_letters: n n m m o o

Wyckoff_letters: n m

Wyckoff_site_symmetries: m m m m 1 1


species: Nb O Ta

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a d

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i


species: Na O Ta

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Ca Cl Rb

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Co Ge Sm


species: Ca F Li

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Dy O V

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Co O Sm

species_pp: Co O Sm_3

crystal_class_orig: tetragonal-pyramidal


species: Co O Pr

species_pp: Co O Pr


species: O Pr V

species_pp: O Pr V_sv

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: b c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


species: Er O V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b b


species: Mn O Sm


species: O Sm V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: F Li Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu Ho O


species: Mn O Tb

Wyckoff_letters_orig: h h h

Wyckoff_letters: h h h


species: Cl K Ta

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a e


species: Ce Cr O

species_pp: Ce Cr_pv O


species: O Sm Zn

species_pp: O Sm_3 Zn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d f

Wyckoff_letters: c a


species: Cr Nb O


species: O Sn V

species_pp: O Sn V_sv


species: Cr O Sr

crystal_class_orig: triclinic-pedial

crystal_class: triclinic-pedial

Wyckoff_letters: a a a


species: Cd O Zn

species_pp: Cd O Zn


species: Mn O V


species: Nb Ni O


species: Ca Fe O

Wyckoff_letters_orig: b d

Wyckoff_letters_orig: c h

Wyckoff_letters: b d

Wyckoff_letters: c h


species: O Ti W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a e

Wyckoff_letters: d g


species: Br Rb Ta


Wyckoff_letters_orig: f f


species: Ni O Sc


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class: monoclinic-prismatic


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Nb O W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i

Wyckoff_letters: a i


species: Ca Ni O

crystal_class_orig: monoclinic-domatic

aflow_prototype_params_list_relax: a b/a c/a beta


species: Ca O Sc

Wyckoff_letters_orig: c e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Cd O Sc

species_pp: Cd O Sc_sv


species: O Sn W

species_pp: O Sn W_pv


species: Fe Mn O

Wyckoff_letters_orig: c a h

Wyckoff_letters_orig: i j

Wyckoff_letters: c a h

Wyckoff_letters: i j


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Mg Pb Se

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O Sn

species_pp: Cd O Sn


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir O Tb

species_pp: Ir O Tb_3

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Cr Nb O

Wyckoff_letters_orig: c a


species: Cd Cr O

species_pp: Cd Cr_pv O

sg:
Ibam #72
Ibam #72
Ibam #72


species: Cu O Zn

species_pp: Cu_pv O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: b i i i

Wyckoff_letters: b i i i


species: Mn O Sr


species: Ca Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters: e e e


species: Br Cu Fe

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Cl K Na

crystal_class_orig: ditetragonal-dipyramidal


species: O Sr Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: a b

Wyckoff_letters: c d


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: c d


species: Nb O W

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O W Zr

crystal_class_orig: hexoctahedral


species: Fe Mn O


species: Nb O Sr

sg2:
Ama2 #40
Pm #6
Pmmm #47


species: Fe O Sc


species: O V W


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Br Hf Tl

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


species: Cr O W

Wyckoff_letters: a b


species: Cl Hg Mn

species_pp: Cl Hg Mn_pv


species: Cd O Zr


species: Se Sn Zn

species_pp: Se Sn Zn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Fe Ni O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Bi O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f

Wyckoff_letters: e e

Wyckoff_letters: f f


species: Co Cr O

species_pp: Co Cr_pv O


species: Mg O W

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Cr Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Cd Nb O


species: Mg S Zn

species_pp: Mg_pv S Zn

sg:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Fe O V

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: O Sc W


species: Nb O Zr

crystal_class: orthorhombic-bipyramidal


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: monoclinic-prismatic


species: O Sc Ti

crystal_class: hexoctahedral


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Cu O Zr

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m m


species: Cr O Sc

Wyckoff_letters_orig: a e


species: Ca O Sr

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg O Ti


species: Cl Fe K

Wyckoff_letters_orig: a a a a


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: tetragonal-disphenoidal


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Cd O W

species_pp: Cd O W_pv


species: Mg Mn O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: d d

Wyckoff_letters: a c

Wyckoff_letters: d d


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Fe O P

species_pp: Fe_pv O P

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a e

Wyckoff_letters: e e e e


species: Ge S Sn

species_pp: Ge_h S Sn

sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: d d f g

Wyckoff_letters: a d

Wyckoff_letters: d d f g


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: f f


species: Ca Mg O


species: O W Zr


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O Sc

Wyckoff_letters_orig: i i


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: b c

Wyckoff_letters: d h

Wyckoff_letters: b c


species: Cd O Ti


species: Ir O Tl

species_pp: Ir O Tl_d


species: O W Zn

species_pp: O W_pv Zn


species: Nb O Zr


species: Ca Nb O

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Cr K O

Wyckoff_letters_orig: a e e

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e f f

Wyckoff_site_symmetries_orig: m m m m m 1 1

Wyckoff_letters: a e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e f f

Wyckoff_site_symmetries: m m m m m 1 1


species: Cr O V

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a c g

Wyckoff_letters: i j


species: O Sr V


species: Fe Ni O


species: Cr Nb O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b c d

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


species: Mn O V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: d i


species: Co Ni O

crystal_class_orig: ditrigonal-scalahedral


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f

Wyckoff_letters: e f f f f

Wyckoff_letters: c f


species: Co O Ti

species_pp: Co O Ti_sv


species: O Sc Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Mn O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Mg Mn O


species: O Sr Zr

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ca Ni O


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Fe O

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: Mg Nb O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b


species: Ca O Sr

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a d


species: Co Mn O

species_pp: Co Mn_pv O


species: Ni O Zr


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a n

Wyckoff_letters: m n m


species: Ni O Sc


species: Ca O W


species: Fe Nb O


species: Mg O Sc

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: Mn O Zr

Wyckoff_letters_orig: a a a a

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

Wyckoff_letters: a a a a

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

Wyckoff_letters: a a


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_letters: c i

Wyckoff_site_symmetries: m m 1


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Fe O W


species: Mn O Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Fe O Ti

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Ca Nb O


species: Br Hf Hg

species_pp: Br Hf_pv Hg