species: Cr O Zn

species_pp: Cr_pv O Zn

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

sg2:
Pban #50
Pban #50
Pban #50


species: Cd Ni O

species_pp: Cd Ni_pv O

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

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

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

Wyckoff_letters: a c g

Wyckoff_letters: i j


species: O Sr W

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_relax: a c/a x3


species: Ca O V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j

crystal_class: ditrigonal-dipyramidal

point_group_structure: dihedral

Wyckoff_letters: a d

Wyckoff_letters: j k


species: Cd O Ti

species_pp: Cd O Ti_sv

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x3


species: Cl Ni Rb

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: b f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCF

Wyckoff_letters: e l

Wyckoff_letters: b f


species: Ni O V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal

point_group_type: polar


species: O Pd Re

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a f

Wyckoff_letters: c g

Wyckoff_letters: a f


species: O Sr Ti

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca Co O

species_pp: Ca_sv Co O

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: tetragonal-disphenoidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-disphenoidal

point_group_structure: cyclic

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: Cd Mn O

species_pp: Cd Mn_pv O

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: O Ti Zn

species_pp: O Ti_sv Zn

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: c a b


species: Ca O Zr


Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

crystal_class_orig: orthorhombic-pyramidal

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a b d d d

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a b d d d


species: Mg O Sn

species_pp: Mg_pv O Sn

crystal_class_orig: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Co Mn O

species_pp: Co Mn_pv O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m


species: O Sc V

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_class: ditetragonal-dipyramidal

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


species: O V Zr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF


species: Nb O Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Nb O Ti

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: d i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: d i


species: Mg Nb O

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Nb O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd O Sn

species_pp: Cd O Sn


species: Cr O Zr

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters_orig: i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: a i i i i i

Wyckoff_letters: i i


species: Ca Cr O

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_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

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

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: O W Zr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Br Ca Cs

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d

Wyckoff_letters: a b


species: Cr O W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c

Wyckoff_letters: a c c c c


Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: Fe Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f f f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: Ca Fe O

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: g g

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: g g


species: Nb O Sr

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Mg O Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O W

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: c i i

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Ni O V

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b b b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b b b


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a c g

Wyckoff_letters: i j


species: Mg O Sc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O Sc V

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: c a h

Wyckoff_letters: c a h


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Co O Sn

species_pp: Co O Sn


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Cr O Zr

crystal_class_orig: orthorhombic-bipyramidal


species: Mn O Ti

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

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 c

Wyckoff_letters_orig: c c c d

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 c

Wyckoff_letters: c c c d


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Cd Cr O

species_pp: Cd Cr_pv O


species: Co O Ti

species_pp: Co O Ti_sv


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


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: orthorhombic-bipyramidal


species: O Sr V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h

Wyckoff_letters: i i j

Wyckoff_letters: a h


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cd O W

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Ca O Zr


species: Cr O V


species: Mn O Zr

crystal_class: ditrigonal-scalahedral


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class: hexoctahedral


species: Hg O Pb

species_pp: Hg O Pb_d

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd O V

species_pp: Cd O V_sv


species: Cr O Ti

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O W Zn

species_pp: O W_pv Zn


species: Ca Mn O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O V

species_pp: Co O V_sv

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ge Pb Te

crystal_class_orig: ditrigonal-pyramidal

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: ditrigonal-pyramidal


species: Fe Mg O


Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sc V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr Mg O

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Mg Pb Te


species: Cl Hg Sb

species_pp: Cl Hg Sb

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c g g g

Wyckoff_letters: b d


species: Mg Te Zn

species_pp: Mg_pv Te Zn


species: Ca O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: c g


species: Mg S Zn

species_pp: Mg_pv S Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ni O V


species: Cl Li Sn

species_pp: Cl Li_sv Sn

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


species: Nb O Ti


species: Ca Fe O


sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_site_symmetries_orig: m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b

Wyckoff_site_symmetries: m m m


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Ca Cr O

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: O Sc W

crystal_class_orig: hexagonal-pyramidal


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class: hexagonal-dipyramidal


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i i


species: O Sr V


species: Co O V

sg:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Nb O

crystal_class: tetragonal-dipyramidal


species: Ni O Zr

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


species: Fe O Ti

crystal_class: rhombohedral


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: O Sr Ti

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: c h p

Wyckoff_letters: a f

Wyckoff_site_symmetries: mmm 2mm ..m


species: Ca O V

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ca O W


species: Mn Ni O


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b c c

Wyckoff_letters: b b

Wyckoff_letters: a b c c


Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cd Nb O

species_pp: Cd Nb_sv O


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Co O Ti

species_pp: Co O Ti_sv


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: h g

Wyckoff_letters: a c

Wyckoff_letters: g h m

Wyckoff_letters: g h


species: Nb O V

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


crystal_class_orig: rhombohedral


species: O Sr W

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Mg O V


species: O Sc V


species: S Sn Zn

species_pp: S Sn Zn


species: Mn O Sn

species_pp: Mn_pv O Sn

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

crystal_class_orig: diploidal

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

crystal_class: diploidal


species: Cr Mn O


species: Fe O Sn

species_pp: Fe_pv O Sn

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mn O Sc

crystal_class_orig: monoclinic-prismatic


species: O Sc W

Wyckoff_letters: i i i


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b g g

Wyckoff_letters: a g

Wyckoff_letters: b g g


Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i j

Wyckoff_letters: h i

Wyckoff_letters: i j


species: Mg Nb O


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c


species: Bi O Ti

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O V Zr

Wyckoff_letters_orig: a e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a e


species: O Sc Ti


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: Mn Nb O

Wyckoff_letters_orig: a c


species: O Sr V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Nb O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cl Fe Tl

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Fe O

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: orthorhombic-bipyramidal


species: O Ti V

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr O W

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Fe Mg O


species: Cu O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: e c


species: Co Ni O

species_pp: Co Ni_pv O


species: Nb O Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O Ti


species: Nb O V

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb O W


crystal_class_orig: ditrigonal-pyramidal


species: Fe Ni O


species: Ca Nb O

Wyckoff_letters_orig: h p

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: h p


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr Fe O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

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


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class: ditrigonal-scalahedral


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Mg Nb O

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mn O Zr


species: Co Cr O

species_pp: Co Cr_pv O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Fe O Sn

Wyckoff_letters_orig: a b d


species: O Sn Zr

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Mn O Sc

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Fe O V

crystal_class_orig: orthorhombic-pyramidal


species: Cd Co O

species_pp: Cd Co O


species: Ca O W

Wyckoff_letters: c c


species: Mn O Sr


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cu 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: O Ti W

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mg O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Ca Cr O


species: O V Zr

aflow_prototype_params_list_orig: a c/a z2


species: O Ti Zn

species_pp: O Ti_sv Zn


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sr V


species: Fe O Sr

crystal_class_orig: tetragonal-scalenoidal


species: Cr O Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f

Wyckoff_letters: c g


species: Br Li Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e e

Wyckoff_letters: a e


species: O Sc W

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: Ca Co O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Br Na Nb

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i


species: Fe Ni O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Br Ga Hg

species_pp: Br Ga_h Hg

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: a d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c g g g

Wyckoff_letters: a d


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Cr Fe O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O V W


species: Mg Pb Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c c


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm

crystal_class: hexoctahedral


species: Cd O W

species_pp: Cd O W_pv


species: Nb O Sn

species_pp: Nb_sv O Sn


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: d d

Wyckoff_letters: d d f g

Wyckoff_letters: d d


species: Ca Cd 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

Wyckoff_letters: b b a b


species: O Ti V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters: i i i


Wyckoff_letters_orig: i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: i i


sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Eu Li O

species_pp: Eu Li_sv O


species: C Ho Ni


species: Ca Nb 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: Cl Cu Sb

species_pp: Cl Cu_pv Sb

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


Wyckoff_letters_orig: i i i


species: Cd Ni O

species_pp: Cd Ni_pv O

crystal_class: ditrigonal-pyramidal


species: Ca Mn O

crystal_class_orig: tetragonal-dipyramidal


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O V


species_pp: Ca_sv Cd O

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: b a g g g g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: g g

Wyckoff_letters: b a g g g g g


species: Co Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: c e


species: Ca Cr O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ni O W

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Ca Mg O

crystal_class_orig: dihexagonal-dipyramidal


crystal_class_orig: ditetragonal-dipyramidal


species: Nb O Sc


species: Pb Sn Te

species_pp: Pb_d Sn Te

sg:
P4/nbm #125
Cmmm #65
Cmmm #65

sg2:
Pban #50
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

aflow_prototype_params_list_relax: a b/a c/a z3


species: Co Fe O

species_pp: Co Fe_pv O

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ca O Sr

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Co O Sn

species_pp: Co O Sn

crystal_class: ditetragonal-dipyramidal


species: Cu Mg O

sg:
Pnn2 #34
Pnnm #58
Immm #71

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a b

Wyckoff_letters: h g


species: Nb O V

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a f

Wyckoff_letters: g h

Wyckoff_letters: a f


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


Wyckoff_letters_orig: a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a d


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Mn Ru Ti

crystal_class_orig: hexoctahedral


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Co Mg O

species_pp: Co Mg_pv O


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: ditrigonal-scalahedral


species: Co O Zn

species_pp: Co O Zn


species: O V W

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Ca O V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mn Ni O


species: Mg Se Zn

species_pp: Mg_pv Se Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


Wyckoff_letters_orig: e f f f

Wyckoff_letters: a i j


species: Fe Mn O


species: Ca O Zr


species: O Ti Zr

Wyckoff_letters: c c


species: Cr Mn O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Ni O V

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: O Sn V

species_pp: O Sn V_sv


species: Mg O Zr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Ca Mg O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: b e e

Wyckoff_site_symmetries_orig: -1 m m

Wyckoff_letters: b e e

Wyckoff_site_symmetries: -1 m m


species: F Hg Tl

species_pp: F Hg Tl_d

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Mg O Sr


species: Cr O Ti

Wyckoff_letters_orig: j g

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: j g


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: c c


species: Ni O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: c c c c


species: O Ti W


species: Cr O Sr

Wyckoff_letters: i i i i


species: Cu Nb O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: O Sc Zn

species_pp: O Sc_sv Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Br Cu Ta


species: Ca Co O

species_pp: Ca_sv Co O


species: Ca O Zn


species: Fe Mg O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: h g

Wyckoff_letters: g h

Wyckoff_letters: a d


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters: g j


species: Al Cl Li

species_pp: Al Cl Li_sv

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b g

Wyckoff_letters: c g g g

Wyckoff_letters: b g


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Sc V

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Mg Ni O


species: Ca Fe O

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters: e c


species: Bi O Ti

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c


species: Ca O W

crystal_class: ditrigonal-scalahedral


species: Ni O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i


species: Fe O W

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: b i

Wyckoff_letters: i i i

Wyckoff_letters: b i


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Nb O W


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Mn O Ti


species: Mg O V


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cr Ni O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: Mg Nb O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a f

Wyckoff_letters: e e

Wyckoff_letters: c f


species: Mg Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c d g

Wyckoff_letters: a e

Wyckoff_letters: c d g


species: Mg O Zr


species: O Sr Zr

Wyckoff_letters: e e e


species: O Sr V

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d f

Wyckoff_letters: c a


species: O V Zn

species_pp: O V_sv Zn


species: Cr O V


species: Nb O Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: rhombohedral


species: Mn O V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sr W

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mg O Sc

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O Sn Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Fe O


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Co Cr O

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: b b b


species: Cr O Ti

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters: a d


species: Mg O Zn

species_pp: Mg_pv O Zn

Wyckoff_letters_orig: a e e

Wyckoff_letters_orig: c e

Wyckoff_letters: a e e

Wyckoff_letters: c e


species: Nb O Ti

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a

crystal_class: triclinic-pedial

point_group_structure: trivial

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

Wyckoff_letters: a a


species: Ca Li O


species: Ca O Rb

sg:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Na Pb

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: I Pb Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Na Nb O

Wyckoff_letters_orig: b e e e

Wyckoff_letters: b e e e


species: O Rb Ta

sg2:
Cmcm #63
Cmcm #63
P4/mmm #123


species: K O Pb


species: Li Nb O

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c

Wyckoff_letters: c c d


species: Ag Sb Te

species_pp: Ag Sb Te

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cl Li O

species_pp: Cl Li_sv O


species: Eu O S

species_pp: Eu O S


species: Pd Sb Tb

crystal_class_orig: dihexagonal-dipyramidal


species: Pd Sb Se

species_pp: Pd_pv Sb Se

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: Rb S Tb


species: B Cl N

species_pp: B_h Cl N

crystal_class_orig: orthorhombic-bipyramidal


species: Ba Er O

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: La O Se

species_pp: La O Se

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

Wyckoff_letters_orig: a a a a

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


species: Ca Cs I

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e g h

Wyckoff_letters: a h

aflow_prototype_params_list_relax: a c/a x4


species: Mo O Y

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a a b b g g

Wyckoff_letters: a a b b g g


species: Na O Ta

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b b

Wyckoff_letters: a a b


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: K O Ta

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: h k

Wyckoff_letters: c f

Wyckoff_letters: h k


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a k

Wyckoff_letters_orig: d e

Wyckoff_letters: a k

Wyckoff_letters: d e


species: As K Se

species_pp: As K_sv Se

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: F Mg Na

Wyckoff_letters_orig: d f

Wyckoff_letters: e c


species: Cl Rb Ta

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: e f

Wyckoff_letters: f f


species: Cs O Ta

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Na S Y


species: Cs Mg O


species: O Tb V


species: Ce Cu O

species_pp: Ce Cu_pv O


species: Cr Nd O

species_pp: Cr_pv Nd O


species: Ho O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a c

crystal_class: rhombohedral

Wyckoff_letters: a c


species: O Sm Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b


species: Ce Fe O

species_pp: Ce Fe_pv O

crystal_class: hexoctahedral


species: Cl Nb Rb

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: I Na Ta

Wyckoff_letters_orig: h i

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: h i


species: O Pr Zn

species_pp: O Pr Zn


species: O Tb Zn

species_pp: O Tb_3 Zn


species: Cu O Tb

Egap_DOS_type: metal

crystal_class: ditetragonal-dipyramidal


species: O W Zr

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c c

Wyckoff_letters: c c


crystal_class: dihexagonal-dipyramidal


species: Cs I Pb


species: Cd Cs I

species_pp: Cd Cs_sv I

Egap_DOS_type: insulator

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ce Mn O

species_pp: Ce Mn_pv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

aflow_prototype_params_list_orig: a c/a x4


species: Co Er O

species_pp: Co Er_3 O


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag Mo S

species_pp: Ag Mo_pv S

Wyckoff_letters_orig: e e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cr Fe O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Fe O W

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

Wyckoff_letters: e f


species: Nb O Zr


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg Nb O

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Mn O Sc

crystal_class_orig: tetragonal-dipyramidal


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-scalahedral


species: F Nb Rb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O Zr


species: Fe O Sr


species: Fe O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Nb O W

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd Co O

species_pp: Cd Co O


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c h

Wyckoff_letters: a c

Wyckoff_letters: c h


species: O Sc Zr

crystal_class: orthorhombic-pyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Co Mn O

species_pp: Co Mn_pv O


species: Mn O V


species: Co Nb O

species_pp: Co Nb_sv O


species: Mn Nb O


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Fe O


species: Nb Ni O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: b b b


species: O Sr V


species: Fe Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Ca O Sn

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O Sn

species_pp: Co O Sn


species: Nb O Zr


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: diploidal

Wyckoff_letters_orig: f h

Wyckoff_letters_orig: b e

Wyckoff_letters: g k

Wyckoff_letters: b e


species: Ge Pb Te


species: Mn O Zn

species_pp: Mn_pv O Zn

sg:
Cmmm #65
Cmmm #65
P6/mmm #191

sg2:
Cmmm #65
Cmmm #65
P6/mmm #191

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a b


species: Fe O Sc


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a b


species: Co O Zr

species_pp: Co O Zr_sv


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Nb O W

crystal_class_orig: monoclinic-domatic

crystal_class: ditrigonal-pyramidal


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Co O W

species_pp: Co O W_pv


species: O Sc W


species: O Sc Zr


species: Mg Mn O

crystal_class_orig: hexoctahedral


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Mn O Ti


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: O V Zr

Wyckoff_letters_orig: b c e


species: Fe O Ti


species: Fe O W

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Fe Se Tl


species: O Sc Sr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Ca O Sr


species: Co Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O Sn

Wyckoff_letters_orig: a c i i i

Wyckoff_letters: a c i i i


species: Cr Nb O


species: Co O Sr

species_pp: Co O Sr_sv


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: O Sn W

species_pp: O Sn W_pv


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters: a d


species: O Sc V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Nb O V

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ni O V


species: Fe O Sr


species: Mg O Zr


species: Fe Mg O


species: O Sr Zn

species_pp: O Sr_sv Zn

crystal_class_orig: ditrigonal-pyramidal


species_pp: Co Mn_pv O

crystal_class: tetragonal-dipyramidal


species: Nb O Sc

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters: c a


species: Li O V

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Dy F O

species_pp: Dy_3 F O


species: Cd Cl K

species_pp: Cd Cl K_sv


species: Co O Sc

species_pp: Co O Sc_sv


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: dihexagonal-dipyramidal


species: Cr Fe O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sr W


species: Co Nb O

species_pp: Co Nb_sv O


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m m


species: Al Cl K

species_pp: Al Cl K_sv


species: Co Cr F

species_pp: Co Cr_pv F

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mg Mn O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Sr


species: Ca Mn O


species: O Ti Zr

Wyckoff_letters_orig: a a a


species: Mg O Zr

crystal_class: hexagonal-trapezoidal


species: Mg O V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a c

Wyckoff_letters: c c

Wyckoff_letters: a a c


species: Mg O Sc


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: orthorhombic-bipyramidal


species: O Sr Zr


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Co Mn O


species: Cr Mg O

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg Se Sn

species_pp: Mg_pv Se Sn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mg Pb Se

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_site_symmetries_orig: m m m m m m m m m 1 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b

Wyckoff_letters: a a a

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

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


species: Co O Sn

species_pp: Co O Sn


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: Ni O Sr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Fe O

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Ti W


species: Co O Zr

species_pp: Co O Zr_sv


species: Fe Ni O

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters: g j


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Bi Cs I

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Sn V

species_pp: O Sn V_sv


species: Cr Nb O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Nb Ni O

Wyckoff_letters_orig: a c d e


species: Mn O Sr


species: Fe Mg O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: a e

Wyckoff_letters: d g

Wyckoff_letters: a e


species: Ca Fe O

Wyckoff_letters: a b


species: Ca O Zr

crystal_class_orig: ditrigonal-scalahedral


species: Mg Nb O


species: Co O W

species_pp: Co O W_pv

sg:
Cmmm #65
Fmmm #69
Fmmm #69

sg2:
Pban #50
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: c a

Wyckoff_letters: g c


species: O Ti V


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a b


species: Bi O Ti


species: Mg O Zr


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: a b e

Wyckoff_letters: e e e e


species: Cu O Sn

species_pp: Cu_pv O Sn

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: e e e


species: O V W


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O W


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Nb O Sr

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cr O V

crystal_class: hexoctahedral


species: F Rb Tl

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: O Sr Zr


species: Mn Ni O


species: Mg O V


species: Ge Mg S

crystal_class: rhombohedral


species: O V Zn

species_pp: O V_sv Zn


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Nb O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Co Nb O

species_pp: Co Nb_sv 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

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sn W

species_pp: O Sn W_pv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c

Wyckoff_letters: b b


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Cd Cr O

species_pp: Cd Cr_pv O

crystal_class_orig: hexagonal-trapezoidal


species: Mg O Sc


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d


species: Co O W

crystal_class: orthorhombic-bipyramidal


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Ti Zr

crystal_class: ditetragonal-dipyramidal


species: Fe O Zr


species: Fe Mn O


species: Mn O V


species: O Sc Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i


species: Cd O Zn

species_pp: Cd O Zn

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


crystal_class_orig: triclinic-pedial

crystal_class: triclinic-pedial


species: Ca Nb O


species: Ca O Ti

crystal_class: ditrigonal-scalahedral


species: Ca O W

Wyckoff_letters_orig: g g

crystal_class: monoclinic-prismatic

Wyckoff_letters: g g


species: O Os Pb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr O Ti


species: Fe O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a b


species: Mg O Sr

crystal_class_orig: monoclinic-prismatic


species: Cd O Sn


species: Mn O Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Ni O


species: Ca Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: monoclinic-domatic

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

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: 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_letters: a a a b b b


species: O W Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni O Zr


species: Mn Nb O

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i


species: Cr Mn O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a d


species: Nb O V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: O Sr Ti

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Fe O Ti

Wyckoff_letters: a b


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Cr O V


species: Ni O W

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: O Sc Sn

species_pp: O Sc_sv Sn

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: c i


species: Nb O Ti

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cd Ni O

species_pp: Cd Ni_pv O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Cr Ni O


species: Co Nb O

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Bi O Ti


species: Cr O Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Mn O Zr


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: O Os Sn

species_pp: O Os_pv Sn

Wyckoff_letters_orig: a a a

Wyckoff_letters: c f


species: Mn O V


species: Cr Fe O


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters: a d


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cd Cr O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Ni O Sn

species_pp: Ni_pv O Sn

crystal_class: ditrigonal-pyramidal


species: Fe O Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Mg O

crystal_class_orig: dihexagonal-dipyramidal


species: Ca O W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cd Fe O

species_pp: Cd Fe_pv O


species: O Sc Zn

species_pp: O Sc_sv Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: ditrigonal-pyramidal


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


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: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co Mn O

species_pp: Co Mn_pv O


species: Cr O V

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca O Ti

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: c e

Wyckoff_letters: m n

Wyckoff_letters: a e


species: Ge Mg S

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O W


species: Mg Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters: d g


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc Sn

crystal_class_orig: tetragonal-scalenoidal


species: Nb O Zr


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O V

species_pp: Cd O V_sv


species: O Sr Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sc Ti


species: Ca Mg O


species: O Ti W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O W Zn

species_pp: O W_pv Zn


species: Cr O Zn

Wyckoff_letters: c e


species: Mn O Zn

species_pp: Mn_pv O Zn


species: Cr Mg O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ca O Sr

Wyckoff_letters_orig: c h p

Wyckoff_letters: c h p


species: O Ti V


species: Ca Cr O


species: Co Mg O

species_pp: Co Mg_pv O


species: Mg O Ti


species: S Sn Zn

species_pp: S Sn Zn


species: Mg Pb S

sg:
Pnma #62
Pnma #62
Imma #74


species: Fe O Zr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Co O V

species_pp: Co O V_sv

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: Fe Ni O


species: Cr O Ti


species: Mg O Sr


species: O Sc Ti

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ca Ni O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: i i


species: Nb O W


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Mg Mn O


species: Ca O V

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: b f


species: Nb O Sc


species: Fe O Sc


species: Cr O W


species: Co O Zr


species: O Ti W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O V W

Wyckoff_site_symmetries: mmm mmm


species: O W Zr


species: Mg Nb O

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f


species: O Sc V


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Ca O W


Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Sr Ti


species: Mg O Sc

Wyckoff_letters_orig: h g i

Wyckoff_letters: h g i


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: hexoctahedral


species: Mn O Sr

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a b

Wyckoff_site_symmetries: m m m m 1 1


species: Cr F Na

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni O Zr

Wyckoff_letters: a b b


species: Mg O Zn

species_pp: Mg_pv O Zn


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O Zn

species_pp: Co O Zn


species: Fe O Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O Zr


species: Mg Sn Te

species_pp: Mg_pv Sn Te

crystal_class_orig: monoclinic-prismatic


species: Mg O W


species: Mn O Sc

sg:
Cmcm #63
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: b f


species: O Sc Sr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a


species: Ca Cr O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Co O Sr

species_pp: Co O Sr_sv

Wyckoff_letters_orig: b c e

Wyckoff_letters: e a


species: Ni O W

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: m n m


species: Fe Ni O


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b h

aflow_prototype_params_list_relax: a b/a c/a x4


species: Cr Mn O


species: O Sn Ti

species_pp: O Sn Ti_sv


species: Ca Co O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O Ti


species: Pb Te Zn

species_pp: Pb_d Te Zn


species: Mn O Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: O W Zr


species: Co O Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sn W

species_pp: O Sn W_pv

Wyckoff_letters: i i i


species: Fe O Sr


species: O Ti V

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: Co Cr O

species_pp: Co Cr_pv O


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Mn O


species: O Sr Zr


species: O Sr Zn

species_pp: O Sr_sv Zn


species: O V Zn

species_pp: O V_sv Zn


species: Mn O Sc

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ca Fe O

sg:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cr Mn O

crystal_class: hexoctahedral


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters: b f


species: Ni O Sc


species: Ca Mn O

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: c a

Wyckoff_letters_orig: h g m

Wyckoff_letters: e c


species: Mn O Ti

Wyckoff_letters_orig: a a a a a a


species: Cr O Sc


species: Ca O W


species: Cr Ni O

sg:
Cmcm #63
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e e


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca O Sr

crystal_class_orig: tetragonal-disphenoidal


species: O Sr Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a b

Wyckoff_letters_orig: a b

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a b

Wyckoff_letters: a b


species: Nb O Rb

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c d

Wyckoff_letters: b c

Wyckoff_letters: c d


species: K O Pb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h


species: Mg O Pb

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Mg O Ta

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: g i

Wyckoff_letters: g i


species: Li O Tb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: a e e e

Wyckoff_letters: e e e

Wyckoff_letters: a e e e


species: C Gd Re

species_pp: C Gd Re_pv

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Ga Sm

Wyckoff_letters_orig: e h i

Wyckoff_letters: e h i


species: Cs Cu O


species: Cr Ge Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Pb Tl

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a

Wyckoff_letters: a a a


species: Li O V

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: a i i i i i i i

Wyckoff_letters: i i i

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


species: F Nb Pb


species: Cl Li Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F K Pb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr F Rb

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b c c c

Wyckoff_letters: a b

Wyckoff_letters: a a b b c c c


species: O Ta Th

Wyckoff_letters_orig: g h k k

Wyckoff_letters: g h k k


species: Ca O Rb

Wyckoff_letters_orig: a j

Wyckoff_letters_orig: g h i

Wyckoff_letters: a j

Wyckoff_letters: g h i


species: Cs O Pb


species: I Rb Ta

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a c

Wyckoff_letters: i j

Wyckoff_letters: a c


species: Ba Ni O


species: Nb O Zn

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a b b d d d d d d d d d d d d e e e e

Wyckoff_letters: a a b b d d d d d d d d d d d d e e e e


species: Ca Cl Nb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cu Mn O

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e j

Wyckoff_letters: e j


species: Cr Mn O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: i i

aflow_prototype_params_list_relax: a b/a c/a y3


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: Dy Er O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: e e e

Wyckoff_letters: c d

Wyckoff_letters: g g g


species: Mn O Pm

species_pp: Mn_pv O Pm

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Gd Ni O

species_pp: Gd Ni_pv O


species: I K Na

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cu O Tm

species_pp: Cu_pv O Tm

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: O Pr Sm

species_pp: O Pr Sm_3


species: Gd O V

species_pp: Gd O V_sv

crystal_class_orig: ditrigonal-scalahedral


species: Gd O Sm

species_pp: Gd O Sm_3

crystal_class_orig: trigonal-pyramidal


species: Mn O Zn

species_pp: Mn_pv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: a a b


species: O Sm Ti

Wyckoff_letters_orig: j j k

Wyckoff_letters_orig: j j

Wyckoff_letters: j j k

Wyckoff_letters: j j


species: O Tb Zn

species_pp: O Tb_3 Zn

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a

Wyckoff_letters: a a a


species: Eu O V

species_pp: Eu O V_sv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c


species: Ni O Tb

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a

crystal_class: tetragonal-pyramidal

Wyckoff_letters: a a


species: Fe Nd O

species_pp: Fe_pv Nd O

Wyckoff_letters: a c


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Co O Sn

species_pp: Co O Sn

crystal_class_orig: monoclinic-prismatic


species: Mg Mn O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Mn O


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


crystal_class: tetragonal-scalenoidal


species: Cr O Zr

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

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

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: Ca O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Nb O Zn

species_pp: Nb_sv O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: b i

crystal_class: monoclinic-prismatic

Wyckoff_letters: n n m

Wyckoff_letters: c n


species: Nb O V


species: Ca Mn O


Wyckoff_letters_orig: c c c c

Wyckoff_letters: i i i i


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Fe Ni O

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a a a a a


species: Al Hf O

species_pp: Al Hf_pv O

crystal_class_orig: triclinic-pedial

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 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

crystal_class: triclinic-pedial


species: Mg O Ti

sg:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a a a


species: Fe Nb O

Wyckoff_letters_orig: a e f

Wyckoff_letters: a c f


species: Pb Se Sn

species_pp: Pb_d Se Sn

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: c f


species: O Ti Zr

crystal_class: ditrigonal-scalahedral


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Mn O Zn


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal


Wyckoff_letters_orig: c f


species: O Zn Zr

species_pp: O Zn Zr_sv


sg:
Imma #74
Imma #74
Imma #74


species: Ca Fe O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ca Cr O


species: Co O V

species_pp: Co O V_sv


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: Fe O Sn

species_pp: Fe_pv O Sn

sg2:
Immm #71
Immm #71
Immm #71


species: Cr O Sr

Wyckoff_letters_orig: g g


species: Cl Cr Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: b g


species: Fe O Sr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: O Sc W

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a a a a

Wyckoff_letters: a a a


species: Ge Pb Se

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: Ba Li Sb

crystal_class_orig: dihexagonal-dipyramidal


species: O Sr W


species: Cr O Sc


species: Br Cr K

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Cr Mn O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Bi O Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Co O Zn

species_pp: Co O Zn


species: Mn Nb O

sg:
Pnma #62
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c c d

Wyckoff_letters: f e


species: Ni O Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cr O V

Wyckoff_letters: c a


species: Mn Ni O

Wyckoff_letters_orig: b c i i i

Wyckoff_letters: b c i i i


species: O W Zr

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cl N P

species_pp: Cl N P

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Cr O W

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: b f

crystal_class: hexoctahedral


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c a


species: F K Ti

Wyckoff_letters: c c c


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Nb O Ti

Wyckoff_letters_orig: b e e

Wyckoff_letters: b e e


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Mg O V

crystal_class_orig: hexoctahedral


species: Co O Ti

species_pp: Co O Ti_sv


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mn O Ti


species: O V W


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cd O V

species_pp: Cd O V_sv

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ca Cr O

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a


species: O Sr Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: d h


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a

Wyckoff_letters: c c


species: Mg O W

Wyckoff_letters_orig: e f


species: Mg Nb O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Ca O Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a g


species: Ca O V


species: Co O Sc

species_pp: Co O Sc_sv


species: Bi O Ti

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Ni O Zr


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Fe O Zn

species_pp: Fe_pv O Zn

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Sn W

species_pp: O Sn W_pv


species: Nb O Sn

species_pp: Nb_sv O Sn

Wyckoff_letters_orig: d g


species: Nb O W


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class: orthorhombic-bipyramidal


species: Co O Zn

species_pp: Co O Zn


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Ni O W

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Se Sn Zn

crystal_class_orig: tetragonal-scalenoidal


species: Ni O Ti

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Ca F Nb

Wyckoff_letters: c c c c


species: Ca Cr O

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Mg Te Zn

species_pp: Mg_pv Te Zn

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: O Sr W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class: dihexagonal-dipyramidal


species: Cd Ni O

species_pp: Cd Ni_pv O


species: O Ti Zr


species: Sn Te Zn

species_pp: Sn Te Zn


species: O Sc V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Cd O Zr

species_pp: Cd O Zr_sv

sg:
Cmcm #63
Cmcm #63
P4/mmm #123

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca Ni O


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Br Co Zr

species_pp: Br Co Zr_sv


species: Fe O Sr


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: Cr O Sc

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg O V

crystal_class: ditetragonal-dipyramidal


species: Cr O Sr

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: Cr O V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Co Fe O

species_pp: Co Fe_pv O


species: Mn O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Cu F Hf

Wyckoff_letters_orig: c c c c


species: Cr Ni O

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cr Mn O

sg:
Immm #71
Immm #71
Immm #71


species: Mn O Sc


species: O Ti W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Pban #50
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: c a

Wyckoff_letters: g h n

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cr Ho O

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Al Br Rb

species_pp: Al Br Rb_sv

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zn Zr

species_pp: O Zn Zr_sv

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Pb S Sn

species_pp: Pb_d S Sn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co O Zn

Wyckoff_letters: c d


species: Cd O Zr

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mn O W

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d


species: Ca Mg O


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co O Sn

species_pp: Co O Sn

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ca Ni O


species: Cd O Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd O W

species_pp: Cd O W_pv


species: O Sn Ti

species_pp: O Sn Ti_sv

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters: g h m


species: Cr Mn O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Fe Ni O


species: Mg O Sr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: O Sr Zr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ca Mn O

crystal_class_orig: monoclinic-prismatic


species: Nb Ni O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Mg O Ti

sg:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Nb O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cr O Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d i


species: Br Cs Ni

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Fe O Zr

Wyckoff_letters_orig: a d

crystal_class: tetragonal-scalenoidal


species: Mn O V

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Br Rb Sc

sg:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Fe O Sc

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Nd O V

species_pp: Nd O V_sv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Sr V


species: Co Mg O

species_pp: Co Mg_pv O


species: Fe O Sn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co O Sc

species_pp: Co O Sc_sv

Wyckoff_letters_orig: c c c


species: O Sn W

species_pp: O Sn W_pv


species: Mo O Tb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Hg O Ru

species_pp: Hg O Ru_pv

crystal_class_orig: ditetragonal-dipyramidal


species: Nb O V

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g h h

Wyckoff_letters_orig: a g

Wyckoff_letters: g g h h

Wyckoff_letters: a g


species: Cr O Ti

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

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O Ti

species_pp: Co O Ti_sv


species: Cu F Ga

Wyckoff_letters: b a a c


species: Ca Ni O


species: Cl K Tl

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: F Fe Tl


species: O Sc Sr

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Fe O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h


species: Mn O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mg O


species: Mg Nb O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co Ni O

species_pp: Co Ni_pv O


species: Fe O Sc

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: Cd O W


species: O Sc Zr

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Mn O Ti


species: Mn Ni O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ni O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: b c c c


species: Cr O Sr


species: Fe O V

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

crystal_class: monoclinic-domatic


species: Ca Cd O

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


species: O Ti W


species: Mg O Sc

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Mg O Zr


species: Co Mg O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O W Zr

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Mg O V


species: Ca O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: i i i


species: Br Co Hg

species_pp: Br Co Hg

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr O V

Wyckoff_letters: c c c


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cr Fe O


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sc W


species: Mg O Zn

species_pp: Mg_pv O Zn


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Hg Nb O

species_pp: Hg Nb_sv O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: F Na Sr

crystal_class_orig: tetragonal-scalenoidal


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge O Tl

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Sc Zn

species_pp: O Sc_sv Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ni O


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i

Wyckoff_letters: i i j


species: Co Cr O

species_pp: Co Cr_pv O


species: Ni O W

crystal_class_orig: tetrahedral


species: Co O Sr

species_pp: Co O Sr_sv


species: O Sc Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: ditrigonal-scalahedral


species: Fe O W

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a

Wyckoff_letters: b a


species: Cl Ni Rb


species: O Sc W

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Nb O Sc

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: Cd Nb O

species_pp: Cd Nb_sv O

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Cr O Ti


species: O Zn Zr

species_pp: O Zn Zr_sv

crystal_class_orig: monoclinic-prismatic


species: Cr Nb O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Sr


species: Co Fe O

species_pp: Co Fe_pv O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cd Co O

species_pp: Cd Co O


species: Cr O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Br Mn Na

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: O W Zr


species: Cd O Zr

species_pp: Cd O Zr_sv

Wyckoff_letters: c f


species: Ni O Sn


species: Mn O Re


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Ca Ni O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl K Sb

species_pp: Cl K_sv Sb


species: Br Nb Ti

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: O V W

sg:
Ibam #72
Ibam #72
Cmmm #65

sg2:
Ibam #72
Ibam #72
Cmmm #65


species: Ca O Sc


species: Fe O W

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Ti Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Mn O Sr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: La O Se

species_pp: La O Se

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a c

Wyckoff_letters: a b c

Wyckoff_letters: a c


species: Cd Mn O


species: O Sn Zr

species_pp: O Sn Zr_sv


species: O Sc Zr


species: Mg Mn O


species_pp: Ni_pv O Sn


species: Ni O W

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Ca Fe O

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c c d

Wyckoff_letters: c a

Wyckoff_letters: e e f


species: O Zn Zr


species: Cr O Ti


species: Ca O Zr

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j


species: Fe Ni O


Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: S Tl Y


species: Cr O W


species: Nb O Zn

species_pp: Nb_sv O Zn


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Fe Mn O


species: Ca Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe O Ti

crystal_class_orig: ditetragonal-pyramidal


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Nb O Ti


species: Fe Nb O

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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mn Nb O

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Nb O Sr


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: h i

Wyckoff_letters: i j

Wyckoff_letters: h i


species: F Hg Sr

species_pp: F Hg Sr_sv

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Ni O V

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: b b b

Wyckoff_letters: a a a a


species: F Hf Tl

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ni O Sn


species: Mg O Zr

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: O Zn Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b c e


species: Fe O Sr

sg2:
Immm #71
Immm #71
Immm #71


species: Cu F Sc

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: c g g g

Wyckoff_letters_orig: b d

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a g

Wyckoff_letters: c g g g

Wyckoff_letters: b d


species: Cd O W

species_pp: Cd O W_pv

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class: dihexagonal-dipyramidal


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: b k

Wyckoff_letters: g h n


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Fe Ni O


species: Co Mg O

species_pp: Co Mg_pv O


species: Ca Mg O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Ni O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Ca Cr O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: g g g

Wyckoff_letters: c d d

Wyckoff_letters: e f

Wyckoff_letters: g g g


species: Mg O Sc

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a


species: Mn O Zr

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: O Ti V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class: ditetragonal-dipyramidal


species: Co O Zr

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-pyramidal


species: Mg Sn Te

species_pp: Mg_pv Sn Te

Wyckoff_letters_orig: h g i

crystal_class: monoclinic-prismatic

Wyckoff_letters: g h i


species: O V Zr

crystal_class_orig: tetragonal-disphenoidal


species: Ni O Sr

Wyckoff_letters_orig: i i

Wyckoff_letters: g k


species: Ca Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O V


species: Mg S Zn

species_pp: Mg_pv S Zn


species: Co Nb O

Wyckoff_letters_orig: a a a

Wyckoff_letters: e e

Wyckoff_letters: c f


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O W Zn

species_pp: O W_pv Zn


species: Cr O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe Rb

crystal_class: ditrigonal-scalahedral


species: Mg O V


species: Co O Sc

species_pp: Co O Sc_sv


species: Ca Mg O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Ni O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: O Sr Ti


species: O Sn Zr

species_pp: O Sn Zr_sv


species: Nb O Sn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters: i i


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: tetragonal-dipyramidal


species: F Fe Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mn Ni O

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: b c d

Wyckoff_letters: c e b

Wyckoff_site_symmetries: mmm mmm mmm

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


species: Fe O Sc


species: Bi O Ti


species: Cr O W

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Mg Mn O


species: F Ni Rb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Ca Co O

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d d

Wyckoff_letters: b d d


species: Pb S Zn

species_pp: Pb_d S Zn


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: d h


species: Mn O Ti

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters: c d


species: Ca K O

Wyckoff_letters_orig: a a a

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: a a a


species: I Nb Pb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: K O Ta

Wyckoff_letters_orig: b c c d

Wyckoff_letters: b c c d

Wyckoff_letters: b c


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Nb O

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e


species: Li O Ta

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Mg O Pb

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Nb O Ta


species: Au Sb Tb

species_pp: Au Sb Tb_3

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: Li O Se

species_pp: Li_sv O Se

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c e e e

Wyckoff_letters: c e e e


species: Dy Sb Sc


species: F Mg Rb

Wyckoff_letters_orig: a a b b

Wyckoff_letters: c h


species: I K Rb


species: Cl Nb Rb

Wyckoff_letters_orig: e g g g

Wyckoff_letters: e g g g


species: Co Ga Sm


species: Li Mg O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Na O Pb

Wyckoff_letters_orig: d e f

Wyckoff_letters_orig: a j

Wyckoff_letters: d e f

Wyckoff_letters: a j


species: Nb O Rb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: b g

Wyckoff_letters: f e

Wyckoff_letters: b g


species: K Nb O


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a b e h

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: a b e h

Wyckoff_letters: i i i i i i


species: B Hg O

species_pp: B_h Hg O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c c c c c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c c c c c c


species: Cl Na Nb

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Li O Pb

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Ga O Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a d e

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: a d e

Wyckoff_letters: f f


species: Mn O Tb

crystal_class_orig: ditrigonal-pyramidal


species: Co O Sm

species_pp: Co O Sm_3

Wyckoff_letters_orig: a c d d d

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: c d d

Wyckoff_letters: a c


species: I Nb Rb

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn O Yb

species_pp: Mn_pv O Yb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca O Pb


species: Cl Cs Ta

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Sm V

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Ce O Ti

species_pp: Ce O Ti_sv

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ho O V

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: c c c


species: O Pr V

species_pp: O Pr V_sv

crystal_class: hexoctahedral


species: Mn O V

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: k l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: k l


species: Cr O Sn

species_pp: Cr_pv O Sn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O V


species: O Pm Ti

species_pp: O Pm Ti_sv


species: F Mg Ta

crystal_class_orig: triclinic-pedial

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

Wyckoff_letters: a a


species: Mo Te Zn

species_pp: Mo_pv Te Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cr Dy O


species: Co O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Sr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Ni O Sc

Wyckoff_letters: i i i


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sr V

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: d d

Wyckoff_letters: a c


species: Cr Fe O


species: Mg O Sr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


species: O Sn Zr

species_pp: O Sn Zr_sv

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c


species: Mn O Sr


species: Nb O W

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: orthorhombic-pyramidal


species: Mg O V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn O Ti


species: F Ho O

species_pp: F Ho_3 O


species: Ca Co O

species_pp: Ca_sv Co O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O V W

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O Sn Sr

species_pp: O Sn Sr_sv


species: O Sr Zn

species_pp: O Sr_sv Zn


Wyckoff_letters_orig: b f


species: Cr O Zr

Wyckoff_letters: b c


species: Co O V

species_pp: Co O V_sv


species: Ni O W

Wyckoff_letters: b f


species: Mg Nb O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: O Sc Sn

species_pp: O Sc_sv Sn


species: Co Cu F

species_pp: Co Cu_pv F

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h i


species: Cr O Sr

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Mg O Sc


species: Mn Ni O


species: Se Sn Zn

species_pp: Se Sn Zn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: O Pb Zr

crystal_class_orig: hexoctahedral


species: O Ti Zn

species_pp: O Ti_sv Zn

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O Zr

crystal_class: ditrigonal-pyramidal


species: F K Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Ca Co O


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Cd Fe O