species: Cs H Mg

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: d h

Wyckoff_letters: a c


species: Fe Hf O

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

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

Wyckoff_letters_orig: d d d d d d d d e e e e e e e e f f f f f f f f

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

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


species: Li Mg Sb

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

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-pyramidal

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


species: Mg O Pb

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: i i j

Wyckoff_letters_orig: a h

Wyckoff_site_symmetries_orig: m m 1

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: i i j

Wyckoff_letters: a h

Wyckoff_site_symmetries: m m 1


species: Cs Li O


species: Na Nb 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: e e

Wyckoff_letters_orig: e e e e

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cl K Mg

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

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: c c d


species: Ca I Pb

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: b e

Wyckoff_letters: i i i i i i


species: I Na Nb

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: b h

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a


species: Li O Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC


Wyckoff_letters_orig: i j

Wyckoff_letters: i j

Wyckoff_letters: a d


species: Nb O Ta

crystal_system_orig: trigonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral


Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

Wyckoff_letters_orig: b f

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

aflow_prototype_params_list_orig: a b/a c/a


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i i i


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O Pb Rb

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a d

Wyckoff_letters: i i i


Bravais_lattice_relax: BCT

Wyckoff_letters_orig: d f

Bravais_superlattice_lattice_type: BCT

Wyckoff_letters: e c

aflow_prototype_params_list_relax: a c/a z4


species: Cu Ni O

Wyckoff_letters_orig: e f

Wyckoff_letters: c f


species: Fe Nd O

species_pp: Fe_pv Nd O

aflow_prototype_params_list_orig: a c/a


species: O V Yb

species_pp: O V_sv Yb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

Wyckoff_letters: f f f


species: O Tb Ti

Bravais_lattice_orig: TET

lattice_variation_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

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: c e

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: c i

Wyckoff_letters: c e


species: Dy Fe O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce O Ti

species_pp: Ce O Ti_sv

Egap_DOS_type: metal

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: a d e

Wyckoff_letters_orig: f f

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: a d e

Wyckoff_letters: f f


species: Mn O Sm


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b c


species: Ca O Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries: m m m


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: d g


species: Ca Ni O


species: Ca O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c c c


species: Nb O Sr


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Nb O Sc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ni O W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr Zr

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


species: O Sn V

species_pp: O Sn V_sv


species: O Sc W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Cr Ni O


species: Fe O V


species: O Sr W

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Co Cr O

species_pp: Co Cr_pv O

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: b i

Wyckoff_letters_orig: i i i

Wyckoff_letters: b i


species: Cl Hg Nb

species_pp: Cl Hg Nb_sv

Wyckoff_letters_orig: e g

Wyckoff_letters: e g

aflow_prototype_params_list_orig: a c/a z4


species: Pb S Sn

species_pp: Pb_d S Sn


species: Cr O Ti


species: Bi O Ti


species: Co O V

species_pp: Co O V_sv

crystal_class_orig: tetragonal-scalenoidal


species: Cl Cu Fe

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: O V W

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ba Ni O


species: Ca O W


species: Mn O V


species: Mn O Sn

species_pp: Mn_pv O Sn

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


species: Mg O Ti


species: Cr Fe O

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: 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

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca O Sr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: c f


species: Cr Mg O


species: Fe Nb O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mn O


species: O V Zr


species: Fe O W

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Be C N

species_pp: Be_sv C N

crystal_class: tetragonal-scalenoidal


species: Ge Mg Se

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O Zr


species: Ca Cr O


species: Co O Zr

species_pp: Co O Zr_sv


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Cd O W

species_pp: Cd O W_pv


species: Co Ni O

species_pp: Co Ni_pv O


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Ni O W


species: Ca O W


species: Mg O Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Mg O

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Ca Co O

species_pp: Ca_sv Co O

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Wyckoff_letters_orig: b c

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

Wyckoff_letters: b c


species: Cd Mn O

species_pp: Cd Mn_pv O


species: F Fe Hg

species_pp: F Fe_pv Hg

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

Wyckoff_letters: e h i

Wyckoff_letters: a c

Wyckoff_letters: b g


species: Cr Fe O

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cd Co O

species_pp: Cd Co O


Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g

Wyckoff_letters: a d

Wyckoff_letters: g h


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Fe O Sn

species_pp: Fe_pv O Sn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: O Sc W

Wyckoff_letters: a e


species: Ca O V

Wyckoff_letters_orig: a a a


species: Co O Sr

species_pp: Co O Sr_sv


species: Br Ti Tl

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Mn Ni O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: k j


species: Fe O Zn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Mg O V


species: Co O W

species_pp: Co O W_pv


species: Fe O Sc


species: O Sr Zn

species_pp: O Sr_sv Zn


species: Cl Sb Sn

species_pp: Cl Sb Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sr V

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Mg O Ti


species: Mg O W


species: Fe Mg 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: Ni O Zn

species_pp: Ni_pv O Zn

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: O Ti W

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f f


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Cr O W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: i i i j

Wyckoff_site_symmetries_orig: m m m 1

Wyckoff_letters: a h

Wyckoff_letters: i i i j

Wyckoff_site_symmetries: m m m 1


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Fe O V


species: Ca Fe O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_site_symmetries_orig: mmm 2mm ..m

Wyckoff_letters: a f

Wyckoff_letters: c h p

Wyckoff_site_symmetries: mmm 2mm ..m


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Cr Ni O


crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cd O V


species: O Sc Zr

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cr Mg O


species: O Sr Zr

Wyckoff_letters_orig: a i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_site_symmetries: 2/m m m


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: b f n

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a g h

Wyckoff_letters: b f n


species: Fe O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Cr Nb O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: d g

Wyckoff_letters: a e

Wyckoff_letters: d g


species: Mn O V


species: Ag Bi Ca

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Co O Ti

species_pp: Co O Ti_sv


species: Bi O Ti

crystal_class_orig: ditrigonal-pyramidal


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: i i

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: i i


species: Cd Nb O


species: Co O Sr

Wyckoff_letters_orig: a c g e f h

Wyckoff_letters: a c g e f h


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


crystal_class: ditetragonal-dipyramidal


species: Fe O V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mn O Zr

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mg O Zn

species_pp: Mg_pv O Zn


sg:
Cmce #64
Cmce #64
P4/mmm #123

sg2:
Cmce #64
Cmce #64
P4/mmm #123


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Br Co Fe

species_pp: Br Co Fe_pv

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Nb O Zr


species: Nb O Ti

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Co O

species_pp: Cd Co O

crystal_class: ditrigonal-scalahedral


species: Co O W


species: Mg O W


species: Cr O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mn O V

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Mg O Sr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Mg O

species_pp: Co Mg_pv O

crystal_class: hexoctahedral


species: Ge Pb Te

Wyckoff_letters_orig: h g i

Wyckoff_letters: g h i


species: Co O Sc

species_pp: Co O Sc_sv


species: Bi O Ti

Wyckoff_letters_orig: a a

Wyckoff_letters: a c


species: Al F Rb

species_pp: Al F Rb_sv

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cd O Sr

species_pp: Cd O Sr_sv


species: O Sc Ti


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Sn Te Zn

species_pp: Sn Te Zn

crystal_class: ditrigonal-pyramidal


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class_orig: hexagonal-pyramidal


species: Ag Bi I

species_pp: Ag Bi_d I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Co O

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: b c i

Wyckoff_letters: e h

Wyckoff_letters: b c i


species: O Ti V


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: tetragonal-scalenoidal


species: O Sr W


species: Ni O Ti


species: Mn O Zr

Wyckoff_letters_orig: b c d

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


species: Ni O V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: O Ti W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca Ni O


species: Cr O Zr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Ca Mn O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Cr O

species_pp: Co Cr_pv O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: g h

Wyckoff_letters: a f

Wyckoff_letters: g h


species: O W Zr


species: Mg Mn O

Wyckoff_letters_orig: i i j


species: Ca O V


species: Cr F Nb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Ni O W


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Co Ni O

species_pp: Co Ni_pv O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: g g g h

Wyckoff_letters: e g

Wyckoff_letters: g g g h


species: Cr Nb O

Wyckoff_letters: c f


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: i d

Wyckoff_letters_orig: f a

Wyckoff_letters: i d

Wyckoff_letters: f a


species: F Hg Ni

species_pp: F Hg Ni_pv

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr O Sn

species_pp: Cr_pv O Sn

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: c g

Wyckoff_letters: c e


species: O Sn W

species_pp: O Sn W_pv


species: Ca Co O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g h i

Wyckoff_letters: e h

Wyckoff_letters: f g h i


species: Mn O Sc


species: O Sn Zn

species_pp: O Sn Zn


species: Mg O V

Wyckoff_letters_orig: c a

Wyckoff_letters: a c


species: O Ti Zr


species: Fe Mg O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd O Ti

species_pp: Cd O Ti_sv


species: Mg O Sc


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: c c c


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Cr Mg O


species: Nb O W

Wyckoff_letters_orig: c e


species: Fe O V


species: Mg Se Sn

species_pp: Mg_pv Se Sn


species: Ni O Zn

species_pp: Ni_pv O Zn

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: F Hg Ni

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Cr Fe O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: h p

Wyckoff_letters: a f

Wyckoff_letters: h p


species: Cd Cr O

species_pp: Cd Cr_pv O


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a a


species: Ca O V

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: orthorhombic-bipyramidal


species: Al F Hg

species_pp: Al F Hg

crystal_class_orig: monoclinic-prismatic


species: La O Ru

species_pp: La O Ru_pv

crystal_class_orig: hexoctahedral


species: Cd O Sn

species_pp: Cd O Sn

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Mn O Sr

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co O Sr

species_pp: Co O Sr_sv


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Nb O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Ni O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a e f

Wyckoff_letters: a c f


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: c i

Wyckoff_letters: i i j

Wyckoff_letters: d i


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: a c


species: Li O Ta


species: Ni O W


species: Fe O Ti


species: Cd Co O

species_pp: Cd Co O


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O W

species_pp: Co O W_pv

crystal_class: dihexagonal-dipyramidal


species: Nb O W

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters: c c


species: Nb O Zn

species_pp: Nb_sv O Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a


species: Ni O Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g


species: Cr Mg O

Wyckoff_letters_orig: b d

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: b d


species: Mn O Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Ca O W

Wyckoff_letters: d g


species: Mg O Sr

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Mn O Zn

species_pp: Mn_pv O Zn

crystal_class_orig: tetragonal-dipyramidal


crystal_class_orig: ditrigonal-pyramidal


species: Cr O V

Wyckoff_letters: c e


species: O Sn W

species_pp: O Sn W_pv


species: Ca Cd O

species_pp: Ca_sv Cd O


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: a c f


species: Bi Cs I

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Cr O Zr

crystal_class_orig: trigonal-trapezoidal


species: Cl Cu Hf


Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Co Fe O

species_pp: Co Fe_pv O

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

Wyckoff_letters_orig: a d

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a d

Wyckoff_site_symmetries: mmm mmm


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: b c e

Wyckoff_site_symmetries_orig: mmm mmm mmm


species: Cd O Ti

species_pp: Cd O Ti_sv

Wyckoff_letters_orig: c e


species: Mn O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Nb O Sr

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cr Mn O


species: Co O Sr

species_pp: Co O Sr_sv


species: Co O Sn

species_pp: Co O Sn


species: Ca O V

aflow_prototype_params_list_relax: a c/a x4


species: Pb S Zn

species_pp: Pb_d S Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cd O Sn

species_pp: Cd O Sn

crystal_class: tetragonal-dipyramidal


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Fe Ni O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: O Ti Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co Cr O

species_pp: Co Cr_pv O


species: Mg O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni O V

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Fe O Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sc W

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: O Sr V


species: Ca O Sc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cl Hf Rb

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O Sn W

Wyckoff_letters_orig: c f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca Ni O


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Fe Mn O

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB


species: Cd O W

species_pp: Cd O W_pv


species: Mn Ni O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Cr O Ti


species: Cr O Zr


species: Nb O W


species: O Ti Zn

species_pp: O Ti_sv Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Fe O

Wyckoff_letters_orig: a e


species: Ca Cr O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Cr O Sn

species_pp: Cr_pv O Sn


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a d g

Wyckoff_letters: i j


species: Bi O Ti

crystal_class_orig: trigonal-dipyramidal

Wyckoff_letters_orig: b k

Wyckoff_letters_orig: c j

Wyckoff_letters_orig: e j

crystal_class: ditrigonal-dipyramidal


species: Ca O Zn

species_pp: Ca_sv O Zn


species: Mg Te Zn

species_pp: Mg_pv Te Zn

crystal_class: ditetragonal-dipyramidal


species: Fe Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cd O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Mg O Sr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ni O Sr

sg:
Imm2 #44
Immm #71
Immm #71


species: Ni O Ti


species: Co Fe O

species_pp: Co Fe_pv O


species: Cu O Sr


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Mg Mn O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: c k

Wyckoff_letters: k l

Wyckoff_letters: c k


species: Nb O Sc

crystal_class_orig: ditrigonal-scalahedral


species: Cd Mn O

species_pp: Cd Mn_pv O


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c


species: Ca Fe O

Wyckoff_letters_orig: a b

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a b


species: Fe O V


species: O Sr Ti


species: Al Li O

species_pp: Al Li_sv O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca O Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co O Sc

species_pp: Co O Sc_sv


species: Ni O W

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Mg O W

Wyckoff_letters_orig: b d


species: Gd O Si

species_pp: Gd O Si

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Ca Cd O

species_pp: Ca_sv Cd O

sg:
Pnma #62
Pnma #62
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59

Wyckoff_letters_orig: c c


species: Cr O Zr

sg:
Immm #71
Immm #71
Immm #71


sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b


species: O Sc W

crystal_class_orig: hexagonal-trapezoidal


species: Mn O Zn

species_pp: Mn_pv O Zn

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O Sc


species: O Sn Zn

species_pp: O Sn Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O V W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca Cr O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: c d e e

Wyckoff_letters: c d

Wyckoff_letters: c d e e


species: F Li Nb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Pb S Sn

species_pp: Pb_d S Sn


species: Mg Mn O

sg2:
Immm #71
Immm #71
Immm #71


species: Nb O Zr


species: O Ti V

crystal_class: ditrigonal-pyramidal


species: Cl Cr Cu

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Ba O Ti


species: Fe O Zn

species_pp: Fe_pv O Zn


species: Fe O Sn

species_pp: Fe_pv O Sn

crystal_class_orig: tetragonal-dipyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O V

Wyckoff_letters_orig: c h

Wyckoff_letters: c h

Wyckoff_letters: b d


species: Co O Zn

species_pp: Co O Zn


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Cr O Ti

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


species: Ca Mg O


species: Mg Ni O


species: Mn O W


species: O Sr Ti


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: c a

Wyckoff_letters_orig: h g

Wyckoff_letters: g h n

Wyckoff_letters: a c

Wyckoff_letters: g h


species: O Sr W


species: Cr O Zr

Wyckoff_letters: c c


species: Fe Ni O


species: Co Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O Sr


species: Ni O Ti

crystal_class_orig: ditrigonal-pyramidal


species: O Sr V

aflow_prototype_params_list_orig: a c/a z2


Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Er La O

species_pp: Er_3 La O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Nb O W

Wyckoff_letters: h g

Wyckoff_letters: h g n

Wyckoff_letters: c a


Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal


species: Cd Co O

species_pp: Cd Co O


species: O Sr Zr

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Mg Pb Te


species: I Li Nb

Wyckoff_letters: c d


species: Mg O Rb


species: Nb O Ta

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i

Wyckoff_letters: i i i i


species: I Na Nb

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: c f

Wyckoff_letters: h k

Wyckoff_letters: c f


species: Na Nb O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: e f

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a i

Wyckoff_letters: e f


species: Al C Y

species_pp: Al C Y_sv

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Br Te W

species_pp: Br Te W_pv

Wyckoff_letters_orig: e e e f f f

Wyckoff_letters: e e e f f f


species: Cl F Sb

species_pp: Cl F Sb

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g g g


species: Cl Co O

species_pp: Cl Co O


species: Al Pt Sr

species_pp: Al Pt Sr_sv


species: Cl Mg Pb

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cl Nb Rb

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: C Cd O

species_pp: C Cd 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: Cl K Nb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Cl Li Nb

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a c g

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a c g

Wyckoff_site_symmetries: mmm mmm 2mm


species: Ca I Ta

Wyckoff_letters_orig: d e e

Wyckoff_letters: d e e


species: O Pb Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: K Mg O

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Cs O Si

species_pp: Cs_sv O Si

Wyckoff_letters_orig: a e e e

Wyckoff_letters: a e e e


species: Cu Ga O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ga O V

crystal_class_orig: ditetragonal-dipyramidal


species: K O Sc


species: Ce O Ti

species_pp: Ce O Ti_sv

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a c c d

Wyckoff_letters: a c c d


species: O Tb V

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b


species: Ho Mn O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Sm V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e f


crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c

Wyckoff_letters: b b


species: O Pb Rb

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a g

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

Wyckoff_letters: a g


species: Cu Ho O


species: Fe O Tb


species: Ca O Ta

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs I Nb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: S Se Zn

species_pp: S Se Zn

Egap_DOS_type: insulator

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: b a b a

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: b a b a a a

Wyckoff_site_symmetries_orig: 1 m 1 m m m

Wyckoff_letters: b a b a

Wyckoff_letters: a a

Wyckoff_letters: b a b a a a

Wyckoff_site_symmetries: 1 m 1 m m m


species: Cu Fe O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Mn O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Dy O Ti


species: Ca O V


species: Ca O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a e


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: F Hf Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: Mg Mn O

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


species: Bi O Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c


species: O Ti W

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: O Sr Zr

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d


crystal_class: orthorhombic-bipyramidal


species: Ca Co O

species_pp: Ca_sv Co O


species: Fe O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O Ti

crystal_class: ditrigonal-scalahedral


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr O Zr


species: Nb O W


species: Cd Mg O


species: Mn O W


species: O Sn Zn

species_pp: O Sn Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i i


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cl Li Sb

species_pp: Cl Li_sv Sb

Wyckoff_letters_orig: e l

Wyckoff_letters_orig: a f

Wyckoff_letters: e l

Wyckoff_letters: a f


species: O W Zr

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: g h i

Wyckoff_letters: i j

Wyckoff_letters: g h i


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cd Co O

species_pp: Cd Co O

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Pb Te

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Sc

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Nb O Ti

crystal_class_orig: tetragonal-disphenoidal


species: Ca O W

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Ca Nb O

crystal_class_orig: ditetragonal-dipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Al H Li

species_pp: Al H Li_sv

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: f f

Wyckoff_letters: a b

Wyckoff_letters: f f


species: O Ti W

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Co O Sn

species_pp: Co O Sn

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

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ni O Ti

Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: O Sn Ti

species_pp: O Sn Ti_sv

crystal_class: hexoctahedral


species: Mn O Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: F Mg Ni

sg:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: Ca O V


species: Fe O Sr


species: Nb O Sr

crystal_class: dihexagonal-pyramidal


species: Nb O W


species: Cd O Sn

species_pp: Cd O Sn


species: Mn O Sr


species: O Sr Ti

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: d a

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: a c e f g h

Wyckoff_letters: c a f e h g


species: O Sn Sr

species_pp: O Sn Sr_sv

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b c

Wyckoff_letters: d h

Wyckoff_letters: a c

Wyckoff_letters: b c


species: Co O V

species_pp: Co O V_sv

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Nb O

species_pp: Co Nb_sv O

sg:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Mg O Ti


species: Mg Nb O

Wyckoff_letters_orig: b b c c

Wyckoff_letters_orig: b c c c c c

crystal_class: hexagonal-pyramidal

Wyckoff_letters: b b c c

Wyckoff_letters: b c c c c c


species: Co Ni O

species_pp: Co Ni_pv O


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: trigonal-trapezoidal


species: Mn O V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe O Ti

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O V

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Nb O Zr


species: Ca O Sc

crystal_class_orig: dihexagonal-dipyramidal


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cd O Sn

crystal_class: trigonal-trapezoidal


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Fe O

crystal_class_orig: ditrigonal-scalahedral


species: O Sr Ti


species: F Rb Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters: f j


species: Nb O Ti

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: B La O

species_pp: B_h La O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


species: Cr O Zr

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: c g h

Wyckoff_letters: i j

Wyckoff_letters: d g h


species: O V Zr


species: Cr O Zn

crystal_class_orig: orthorhombic-bipyramidal


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: tetragonal-scalenoidal


species: O V W

crystal_class_orig: orthorhombic-pyramidal


species: Ca O Sr


species: Al F Zn

species_pp: Al F Zn

sg2:
Pnn2 #34
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: c c c c

Wyckoff_letters: g h g


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni O Sr


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Nb O Sr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: Al Br Hg

species_pp: Al Br Hg

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Bi O Ti

Wyckoff_letters_orig: a j

Wyckoff_letters_orig: g h i

Wyckoff_letters: a j

Wyckoff_letters: g h i


species: Ca Mg O

Wyckoff_letters_orig: a b b

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: a b b

Wyckoff_site_symmetries: 3m .m .m


species: O Sn Zn

species_pp: O Sn Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ca O Ti


species: Nb O Zr


species: Ni O Zr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ni O V


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Ca O W

crystal_class_orig: tetragonal-dipyramidal


species: Ca O Sr

Wyckoff_letters_orig: a c g

Wyckoff_letters: a c g


species: Mg O W


species: Ge Mg Se

sg:
Pbam #55
Pbam #55
Cmmm #65

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd O V

species_pp: Cd O V_sv

Wyckoff_letters: h g


species: Sn Te Zn

species_pp: Sn Te Zn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a b c c

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

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b c c

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

Wyckoff_letters: c c c


species: Cd O Sn

species_pp: Cd O Sn


species: O Sn Zr

species_pp: O Sn Zr_sv

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

crystal_class: ditetragonal-dipyramidal


species: Ni O W


species: Ca Cr O

Wyckoff_letters_orig: b i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: b i i i

Wyckoff_site_symmetries: 2/m m m m


species: Cd O Sr

species_pp: Cd O Sr_sv


species: Co O Sn

species_pp: Co O Sn


species: O Ti W

crystal_class: orthorhombic-bipyramidal


species: O Sr Ti

crystal_class: orthorhombic-pyramidal


species: Cd Nb O

species_pp: Cd Nb_sv O

crystal_class_orig: trigonal-pyramidal


species: Fe Ni O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c g

Wyckoff_letters: f e l


species: Co O Ti

species_pp: Co O Ti_sv

crystal_class: ditrigonal-scalahedral


species: Mn O W

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: i i

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Fe Mg O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg O W


species: Ca Nb O


Wyckoff_letters: c i

Wyckoff_letters: i i j


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr O W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: c a m

Wyckoff_site_symmetries_orig: mmm mmm ..2

Wyckoff_letters: c a m

Wyckoff_site_symmetries: mmm mmm ..2


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ni O Sc

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg Nb O

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Cr Ni O

Wyckoff_letters_orig: a d


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Ca O Zr


species: Ni O Zr

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Co O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a e

crystal_class: rhombohedral

Wyckoff_letters: a b


species: Ga Nb S

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a b


species: O V W

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f

Wyckoff_letters: a e


species: F Fe Li

Wyckoff_letters_orig: b a a c

Wyckoff_letters: b a a c


species: Fe Nb O


species: Mg O Zr

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Fe O Sr

Wyckoff_letters_orig: a h

crystal_class: hexoctahedral


species: Co O Zn

species_pp: Co O Zn

crystal_class_orig: trigonal-trapezoidal


species: Mn Ni O


species: Mn O Sc


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Co O Zr

species_pp: Co O Zr_sv

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: Co Mn O

species_pp: Co Mn_pv O


species: O Sc Ti


species: Cr O Zn

species_pp: Cr_pv O Zn


species: Nb Ni O


species: F Ni Tl

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: d d f g

Wyckoff_letters_orig: d d

Wyckoff_letters: d d f g

Wyckoff_letters: d d


species: Ca O Sn

species_pp: Ca_sv O Sn

crystal_class_orig: ditrigonal-pyramidal


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O W

species_pp: Cd O W_pv

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn O Ti


species: O Sn V

species_pp: O Sn V_sv


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Ca O Sr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Mg O

crystal_class: tetragonal-scalenoidal


species: Cd Cs I

species_pp: Cd Cs_sv I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr Nb O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Fe O W


species: Co Ni O

species_pp: Co Ni_pv O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Mg O Zn

species_pp: Mg_pv O Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b b


species: Cl Na Ni

Wyckoff_letters_orig: c l

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Ni O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Bi O Ti

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: d i

Wyckoff_letters_orig: b d

Wyckoff_letters: d i

Wyckoff_letters: b d


species: Cd O Zn

crystal_class_orig: tetragonal-scalenoidal


species: Mg Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: a b

Wyckoff_letters: h g


species: Mg Nb O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg O Zr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Zr

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Mg O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr O Sn


species: O Ti Zn

species_pp: O Ti_sv Zn


species: Co O Sn

species_pp: Co O Sn


species: Mn Nb O


species: Se Sn Zn

species_pp: Se Sn Zn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mg O W

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: Cl Li Ni

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: a b

Wyckoff_letters: e e e e

Wyckoff_letters: a d


species: Ca Cr O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Ca Fe O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Ge Mg Se

crystal_class: ditrigonal-pyramidal


species: Mg O V

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a i

Wyckoff_letters: d d

Wyckoff_letters: a i


species: Ca O Zn

species_pp: Ca_sv O Zn

crystal_class_orig: trigonal-pyramidal


species: Cd O Zr


species: Nb Ni O


species: Ca O Sc


species: Bi O Ti


species: Br Ta Tl

crystal_class_orig: diploidal

crystal_class: diploidal


species: Br Hg Zr

species_pp: Br Hg Zr_sv


species: Cr O V


species: O Pt Yb

species_pp: O Pt Yb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F Rb Ti


species: Cr Ni O


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Ni O Zn

species_pp: Ni_pv O Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Br Ca K

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Ge Se Sn

species_pp: Ge_h Se Sn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a c

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a c


species: Cd O Sc

species_pp: Cd O Sc_sv


species: Pb S Zn

species_pp: Pb_d S Zn

Wyckoff_letters_orig: a c m

Wyckoff_letters: a c m


species: Cr Fe O


species: Cr O Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O W

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ge Pb S


species: Nb O Sn

species_pp: Nb_sv O Sn


species: Ca O Ti

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Fe O Ti

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Cr O


species: Co O Sc

species_pp: Co O Sc_sv


species: Cd Mn O

species_pp: Cd Mn_pv O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal


species: Cr O Zr


species: Fe Mn O

Wyckoff_letters_orig: c e f

Wyckoff_letters: c e f


species: Nb O Zr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b


species: O S V

species_pp: O S V_sv

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: Ca Ni O


species: Co O Sn


species: Ge Pb Te

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

aflow_prototype_params_list_relax: a b/a c/a z3


species: O Sr W

Wyckoff_letters_orig: b a


species: Ca O Zn


species: Nb O Ti


species: Cd O Sc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Ni O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Mn O Sr

crystal_class_orig: ditrigonal-scalahedral


species: Fe O Sn

species_pp: Fe_pv O Sn

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: Mg O V


species: Nb O V

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


Wyckoff_letters_orig: a g g

Wyckoff_letters_orig: b g

Wyckoff_letters: a g g

Wyckoff_letters: b g


species: Cd O V

species_pp: Cd O V_sv

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Co O

species_pp: Cd Co O

crystal_class_orig: monoclinic-prismatic


species: Fe O Ti


species: Cl Cu Sn

species_pp: Cl Cu_pv Sn

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Cd Mn O

crystal_class_orig: ditrigonal-pyramidal


species: Cr Fe O

sg2:
Imma #74
Imma #74
Imma #74


species: O Sn Sr

species_pp: O Sn Sr_sv

crystal_class: ditrigonal-scalahedral


species: O Sn Zn

species_pp: O Sn Zn


species: Fe O Zr

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: O Sn V

species_pp: O Sn V_sv


species: Cr Mg O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr F Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: Mn O Ti

Wyckoff_letters_orig: a b


species: Cd O W

species_pp: Cd O W_pv


species: Ca Ni O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Bi Ca Mn


species: Co O W

species_pp: Co O W_pv

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: c g h

Wyckoff_letters_orig: i j

Wyckoff_letters: c g h

Wyckoff_letters: i j


species: Ni O Sr

Wyckoff_letters_orig: b c e

Wyckoff_letters: e a


species: Mg O Sr

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: c g


species: Mg O Zr

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b

Wyckoff_letters: a b c c


species: Co Mn O

species_pp: Co Mn_pv O


species: Cr Nb O


species: Cd Co O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a b c d d d d d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: d d

Wyckoff_letters: a b c d d d d d


species: O Sr Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

crystal_class: hexoctahedral


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mn O Sr


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Cd O Sn

species_pp: Cd O Sn


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e

Wyckoff_letters: c e f


species: O W Zr

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Pb S Sn

species_pp: Pb_d S Sn


species: Cd Mn O

species_pp: Cd Mn_pv O

Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Mg S Zn

species_pp: Mg_pv S Zn

Wyckoff_letters_orig: a g


species: Co O Zn

species_pp: Co O Zn


species: Nb O Sn

species_pp: Nb_sv O Sn

crystal_class: tetragonal-dipyramidal


species: Fe Ni O


species: Ca O Zr

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca O Sn

species_pp: Ca_sv O Sn


species: Cr O W


species: Co Fe O

species_pp: Co Fe_pv O


species: Ni O Sc


species: Nb O V


Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Cr O Ti

crystal_class_orig: hexoctahedral


species: F Hg Rb

species_pp: F Hg Rb_sv

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

Wyckoff_letters: c d


species: Cu Mn O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Zn Zr


species: Cr O Sc

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Br Ta Tl

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O W Zn

species_pp: O W_pv Zn

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: b a a b

Wyckoff_letters: a a


species: Fe O V

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Ca Ni O


species: Co F Hg

species_pp: Co F Hg

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: b e

Wyckoff_letters: e e e

Wyckoff_letters: d e


species: Fe Ni O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a b


species: Ca O Zr


species: O Sr Zr

Wyckoff_letters: c f


species: Cr O W


species: S Sn Zn

species_pp: S Sn Zn


Wyckoff_letters_orig: a a a


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters: a g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Mn O


species: Ca O Sn


species: O Ti V


species: Nb O V


species: O Ti W


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


Wyckoff_letters_orig: c i

Wyckoff_letters_orig: i i j

Wyckoff_letters: c i


species: Co Cr O

species_pp: Co Cr_pv O


species: Cr Mg O


species: Ni O V


species: Mg Ni O

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Co Ni O

species_pp: Co Ni_pv O

sg:
Pbcn #60
Pbcn #60
Cmce #64

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Mn O Sn

species_pp: Mn_pv O Sn

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


Wyckoff_letters: m n


species: Nb O Sc


species: Cd Nb O

species_pp: Cd Nb_sv O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c h p

Wyckoff_letters: a f

Wyckoff_letters: c h p


species: O Sn W

species_pp: O Sn W_pv


species: Mg O Sr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: h p

Wyckoff_letters_orig: b f

Wyckoff_letters: h p

Wyckoff_letters: b f


species: Ca Cr O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: h i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters: g i

Wyckoff_letters: h i

Wyckoff_letters: i i j j j


species: O V W


species: Cr O Ti


species: Mn Nb O

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Br Ga Li

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: F Li Sb

species_pp: F Li_sv Sb


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b d

crystal_class: rhombohedral

Wyckoff_letters: a b d


species: Cr Mn O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Cr Ni O


species: Ni O Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg O Sc


species: O Ti Zr


species: Co Nb O

species_pp: Co Nb_sv O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W Zr

Wyckoff_letters_orig: h g i

Wyckoff_letters: g e


species: Cl Cs Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters: f j


species: Co Ni O

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

Wyckoff_letters_orig: b c e

Wyckoff_letters: b c e

Wyckoff_site_symmetries: mmm mmm mmm

aflow_prototype_params_list_relax: a b/a c/a


species: Al Cl Rb

species_pp: Al Cl Rb_sv


species: O Sr Ti


species: Fe O Sr


species: Al O Yb

species_pp: Al O Yb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O Zr

crystal_class: monoclinic-prismatic


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Cd O


sg2:
Cmcm #63
Pmmm #47
Pmmm #47


species: Bi O Ti


species: Mn O Ti


species: Nb O V

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Cr Ni O

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ca Cr O

Wyckoff_letters_orig: a e f

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f f f

Wyckoff_letters: a e f

Wyckoff_letters: e e

Wyckoff_letters: f f f


species: O Ti Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sc Ti


species: O Sn W

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Co O Sn

species_pp: Co O Sn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Mn O Zr

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i i


species: Ca I K

Wyckoff_letters_orig: e i

Wyckoff_letters_orig: a b i i i i

Wyckoff_letters: b i

Wyckoff_letters: c e i i i i


species: I Li Na

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a b b

Wyckoff_letters: l b a

Wyckoff_letters: d k

Wyckoff_site_symmetries: 2mm mmm mmm


species: K Nb O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Rb Ta

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a b b

Wyckoff_letters: a a a a


species: Cr K O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Ge Mg O

Wyckoff_letters: e e


species: I K Nb


species: Li O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters: d c c


species: Ag In S

species_pp: Ag In_d S

crystal_class_orig: ditrigonal-scalahedral


species: Cr Gd O

species_pp: Cr_pv Gd O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Ge La

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: H P Si

species_pp: H P Si

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e

Wyckoff_letters: e e e e


species: O P Sr

species_pp: O P Sr_sv

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: Cl Mg Rb

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Cs I Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Mg Nb

crystal_class_orig: tetragonal-dipyramidal


species: Mg O Pb


species: Cs F Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O Rb

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a b b


species: Dy I S

species_pp: Dy_3 I S


species: Na O Rb

crystal_class_orig: ditetragonal-dipyramidal


species: F Li Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: f e e

Wyckoff_site_symmetries: 1 m m


species: Na O Ta


species: Cu Mn O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Mn O

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f f


species: O Pm V

species_pp: O Pm V_sv

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ce Cr O

species_pp: Ce Cr_pv O

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b


species: Cu Eu O

species_pp: Cu_pv Eu O


species: Mn O Sm

Wyckoff_letters_orig: e k

Wyckoff_letters: e k


species: Cr Gd O


species: Dy O Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: Cu Dy O


species: F K Na

sg:
Cm #8
Immm #71
Immm #71

sg2:
Cm #8
Immm #71
Immm #71

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a b

Wyckoff_letters: a e e

Wyckoff_letters: c f


species: Cr Nd O

species_pp: Cr_pv Nd O


species: Na Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i i


species: Cu O Ti

Wyckoff_letters_orig: a c k k

Wyckoff_letters_orig: e h k k

Wyckoff_letters: a c k k

Wyckoff_letters: e h k k


species: O Tb Zn

species_pp: O Tb_3 Zn

Wyckoff_letters_orig: j j k

Wyckoff_letters_orig: j j

Wyckoff_letters: j j k

Wyckoff_letters: j j


species: O Sm Ti


species: Fe O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O V Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a 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

Wyckoff_letters: a a a a a a a a


species: Mg Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: F Ni Rb

Wyckoff_letters_orig: e h i

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: b g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e h i

Wyckoff_letters: a c

Wyckoff_letters: b g


species: Lu O Pd

species_pp: Lu O Pd_pv

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd O Sn

species_pp: Cd O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Li O Zr


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr O Zn

species_pp: Cr_pv O Zn


species: O Sr Zr

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Cl Cr Li

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Br Hf Li

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Mg O Zr


species: Cr Fe O

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: k j


species: Cd O Zr

species_pp: Cd O Zr_sv

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Nb O Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca O V

Wyckoff_letters_orig: a c g

Wyckoff_letters_orig: i j

Wyckoff_letters: a d g

Wyckoff_letters: i j


species: O Sn Zn

species_pp: O Sn Zn


species: Cd O Sc

species_pp: Cd O Sc_sv

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O Sr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Co Mn O

species_pp: Co Mn_pv O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O V


species: Mg O Sc


species: O Sn W

species_pp: O Sn W_pv

crystal_class_orig: orthorhombic-pyramidal

crystal_class: monoclinic-domatic

Wyckoff_letters: a b


species: Fe O Sc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cr O Sn

species_pp: Cr_pv O Sn


species: O Ti Zr


species: Cd Co F

species_pp: Cd Co F

Wyckoff_letters_orig: c c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c c c


species: Ca O Zr

Wyckoff_letters_orig: c a h

Wyckoff_letters: d a h


sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Bi O Ti


species: Nb O Sn

species_pp: Nb_sv O Sn


species: O Sn Sr

species_pp: O Sn Sr_sv


species: Mn O Zr


species: Nb O Sr

crystal_class_orig: trigonal-trapezoidal


species: Mn O Sn

species_pp: Mn_pv O Sn


species: Fe O Zr


species: O V Zn

species_pp: O V_sv Zn

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: O Sc Zr


species: Mg Nb O

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg O Zn

species_pp: Mg_pv O Zn


species: F Hf Rb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: h k

crystal_class: dihexagonal-dipyramidal


species: Mg O Sn

species_pp: Mg_pv O Sn


species: Mg S Sn

species_pp: Mg_pv S Sn


species: Cr Nb O


species: Cd O W

species_pp: Cd O W_pv

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cr O Sn

crystal_class: ditetragonal-pyramidal


species: Cr O Ti


species: Mn Ni O

crystal_class: trigonal-trapezoidal


species: O Ti Zr


species: Cd Mn O

species_pp: Cd Mn_pv O


species: Al F K

species_pp: Al F K_sv

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: O Sr Zr

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Nb O V


species: Nb O Sn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

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


sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e l

Wyckoff_letters: e l


species: Ni O V


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: b i

Wyckoff_letters: i i i

Wyckoff_letters: b i


species: Fe Mn 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: a a a

Wyckoff_letters: b b b


species: Co O Zr

species_pp: Co O Zr_sv

Wyckoff_letters_orig: i i i i i i

crystal_class: monoclinic-prismatic


species: Cu O Sn

species_pp: Cu_pv O Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Nb O

species_pp: Co Nb_sv 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: Nb O W


species: Ca Fe O

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: Co O V

species_pp: Co O V_sv

crystal_class_orig: ditrigonal-scalahedral


species: Mg Nb O

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Bi O Ti


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co Mn O

species_pp: Co Mn_pv O

crystal_class_orig: ditetragonal-dipyramidal


species: Nb O Ti

crystal_class_orig: dihexagonal-pyramidal


species: Mn O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a b


species: Ca O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i j

Wyckoff_letters: a i j


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: O V Zr

crystal_class_orig: tetragonal-disphenoidal


species: Se Sn Zn

species_pp: Se Sn Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: k l

Wyckoff_letters_orig: a k

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: k l

Wyckoff_letters: a k


species: Cd Fe O

species_pp: Cd Fe_pv O


species: O Sr Zr

Wyckoff_letters_orig: a b


species: O Ti Zr


crystal_class_orig: orthorhombic-bipyramidal


species: Co O Sn

species_pp: Co O Sn

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b b b

Wyckoff_letters: b b

Wyckoff_letters: a b b b


species: Cr Nb O

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: Cd Ni O

species_pp: Cd Ni_pv O


species: Cr O Sc


species: Ca Fe O


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


sg:
Cmce #64
Cmce #64
Cmme #67


species: Cr O Zr


species: Mg Mn O


species: Cd Nb O

species_pp: Cd Nb_sv O


species: O Sb Yb

species_pp: O Sb Yb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Al Cu F

species_pp: Al Cu_pv F

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: c g g g

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a d

Wyckoff_letters: b g

Wyckoff_letters: c g g g


species: Cu Eu O

species_pp: Cu_pv Eu O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: f f

crystal_class: tetragonal-dipyramidal


species: Mg Nb O

Wyckoff_letters_orig: c g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c e


species: Ge Pb Te

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: d h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c

Wyckoff_letters: b c

Wyckoff_letters: d h


species: Co O W

species_pp: Co O W_pv

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

sg2:
Pban #50
Pban #50
Pban #50

crystal_class: orthorhombic-bipyramidal


species: O W Zn

species_pp: O W_pv Zn

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a g g

Wyckoff_letters: a g g


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: f f

Wyckoff_letters: f e


species: Cl Mn Na

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Fe O Sc

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: i i


species: O Sr Ti

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Co Nb O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni O Ti

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Cd O W

species_pp: Cd O W_pv


species: Fe O Sn

species_pp: Fe_pv O Sn


species: Cd Nb O


species_pp: Co Nb_sv O

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Cd O

species_pp: Ca_sv Cd O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a 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

Wyckoff_letters: a a a a a a a a


species: Mg O W

Wyckoff_letters_orig: c h p

Wyckoff_letters_orig: a f

Wyckoff_letters: c h p

Wyckoff_letters: a f


species: Cl Rb Zr

Wyckoff_letters_orig: h k

Wyckoff_letters_orig: b f

Wyckoff_letters: h k

Wyckoff_letters: b f


species: O Sc W


species: Bi O Ti


species: Fe Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Co O

species_pp: Ca_sv Co O


species: O Sc Zn

species_pp: O Sc_sv Zn


species: Nb O Sc


species: Mn Ni O

sg2:
Ama2 #40
Cmcm #63
Cmcm #63


species: Mg O Ti


species: Co O V

species_pp: Co O V_sv


species: Cr Mn O

Wyckoff_letters: a d


species: O Pr Ru

species_pp: O Pr Ru_pv

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Ga Mo S

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b


species: Ca O Sc


Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Co O Zn

species_pp: Co O Zn

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70


species: Pb Te Zn

species_pp: Pb_d Te Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sr W

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ca Mg O


species: O Ti W


species: Bi O Ti

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Nb O Sr

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Co Nb O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Cd O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Br Sb Tl

species_pp: Br Sb Tl_d

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr O Zn

species_pp: Cr_pv O Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O Zr

sg:
Ibam #72
Cmmm #65
Cmmm #65

sg2:
Ibam #72
Cmmm #65
Cmmm #65

Wyckoff_letters: c h

aflow_prototype_params_list_relax: a b/a c/a x4


species: Fe O Sr


species: Cd Fe O

species_pp: Cd Fe_pv O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Sn Zr

species_pp: O Sn Zr_sv

Wyckoff_letters_orig: b c i

Wyckoff_letters_orig: e h

Wyckoff_letters: b c i

Wyckoff_letters: e h


species: Co O V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Cr 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


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: a e


species: Cr Ni O

sg:
Cmcm #63
Cmcm #63
Cmmm #65

sg2:
Cmcm #63
Cmcm #63
Cmmm #65

Wyckoff_letters_orig: f g

Wyckoff_letters: g j


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: O Sn Zn

species_pp: O Sn Zn


species: O Sn V

species_pp: O Sn V_sv

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: Cr Nb O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Mn O V

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Mg O Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Ni O


species: O Sc W

Wyckoff_letters_orig: h p

Wyckoff_letters: h p


species: Cd O Zr

species_pp: Cd O Zr_sv


species: Mg O W

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr O Sc

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d g

crystal_class: rhombohedral

Wyckoff_letters: d g


species: Cd Ni O

species_pp: Cd Ni_pv O

crystal_class_orig: tetragonal-dipyramidal


species: Cd Co O

species_pp: Cd Co O

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: ditrigonal-scalahedral


species: Cr Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Fe O V


species: O Zn Zr

species_pp: O Zn Zr_sv


species: Nb O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O Zr


species: O Sn V


species: O V W

crystal_class_orig: diploidal

crystal_class: diploidal


species: Mn O W


species: Cr O Ti


species: Cr O Sr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Cr O

Wyckoff_letters_orig: c h

Wyckoff_letters: c h


species: Cr Ni O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: In Pd Th

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Mg O

species_pp: Cd Mg_pv O


species: Mn O V

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: Fe Ni O

Wyckoff_letters_orig: a a b

Wyckoff_letters: e a


species: Mn O Sn

species_pp: Mn_pv O Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i


species: O Ti Zn

species_pp: O Ti_sv Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pb S Sn

species_pp: Pb_d S Sn

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

crystal_class_orig: orthorhombic-bipyramidal


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d a

Wyckoff_letters_orig: h g


species: Mn O Sc


species: Mg Ni O


species: Ca O Sc


species: Mg O Sc

crystal_class_orig: dihexagonal-pyramidal


species: Cl Hg Zr

species_pp: Cl Hg Zr_sv

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b a a c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a a c


species: Cd Ni O


species: Nb O Zr


species: Fe Mg O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Nb O V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O Zr


species: Cr O V

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j j j

Wyckoff_letters_orig: h i

Wyckoff_letters: g i

Wyckoff_letters: i i j j j

Wyckoff_letters: h i


species: Co O Ti

species_pp: Co O Ti_sv

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: O Sr W


species: Fe O Sn

species_pp: Fe_pv O Sn

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Br Fe Rb


species: Ca Fe O


species: Bi O Ti

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e e


species: Ca Mg O


species: Co O V

species_pp: Co O V_sv


species: Ni O Sn

species_pp: Ni_pv O Sn

Wyckoff_letters_orig: c g


species: Cd Fe O

species_pp: Cd Fe_pv O


species: Cr O W


species: Cd Mg O

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: h p

Wyckoff_letters: b f

Wyckoff_letters: h p


species: Fe O V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe O Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Ti Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sn Ti

species_pp: O Sn Ti_sv

Wyckoff_letters_orig: i i i


species: Mg O Sc


species: Ca O V

Wyckoff_letters_orig: a e f

Wyckoff_letters: a e f


species: Mg O Sr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr F Fe

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Ti Zn

crystal_class_orig: tetragonal-scalenoidal


species: Ni O V

Wyckoff_letters_orig: b i

Wyckoff_letters: i i i

Wyckoff_letters: b i


species: Fe Nb O

Wyckoff_letters_orig: a b d d d

Wyckoff_letters: a b d d d


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ba F Ni


species: Co Mg O

species_pp: Co Mg_pv O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Co O


species: O W Zn

species_pp: O W_pv Zn


species: Mg Ni O

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: I Li Ta

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: O Ti W


species: Co O Sr

species_pp: Co O Sr_sv


species: Mg O Zr


species: Fe O Ti

Wyckoff_letters_orig: i h

Wyckoff_letters: h i


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo O Pt

species_pp: Mo_pv O Pt

sg:
Cmmm #65
Pban #50
Cmmm #65

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: h g m

Wyckoff_letters_orig: c a

Wyckoff_letters: g h

Wyckoff_letters: g h m

Wyckoff_letters: a c


species: Cd Mg O


species: O Sr Zn

species_pp: O Sr_sv Zn

Wyckoff_letters_orig: a a a


species: Ca Cd O

species_pp: Ca_sv Cd O

sg2:
Pcca #54
Pcca #54
Pcca #54


species: Co Cr O

species_pp: Co Cr_pv O

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe Mn O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Pb S Zn

species_pp: Pb_d S Zn

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: Mg Se Sn

species_pp: Mg_pv Se Sn


species: Ca O W

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mg Mn O


species: Co O Zr

species_pp: Co O Zr_sv


species: Pb Se Sn

species_pp: Pb_d Se Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O V Zn

species_pp: O V_sv Zn


crystal_class_orig: rhombohedral


species: Br Rb Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca O V

Wyckoff_letters_orig: k j

Wyckoff_letters_orig: d a


species: Fe O Zr


species: Nb Ni O

Wyckoff_letters_orig: b c e


species: Cl Cs Sc

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

Wyckoff_letters_orig: b a a c

Wyckoff_letters: c e f


species: Mg O Zn

species_pp: Mg_pv O Zn


crystal_class_orig: ditrigonal-pyramidal


species: O V Zr

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: a a a a a

Wyckoff_site_symmetries: m m m m m


species: Co Fe O

species_pp: Co Fe_pv O

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Ni O Zr


species: Ca O Zr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal


species: Cd O Ti

species_pp: Cd O Ti_sv

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

Wyckoff_letters_orig: f f


species: Ca Co O

species_pp: Ca_sv Co O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: O Ti Zr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: 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

Wyckoff_letters: a a


species: Ca Fe O

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Co Cr O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a b

Wyckoff_letters: a a b b


species: O Sc Sn

species_pp: O Sc_sv Sn

crystal_class: orthorhombic-pyramidal


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr O Sr


species: Cr Nb O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: d i

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: d i


species: Fe Ni O

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn V

species_pp: O Sn V_sv

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: hexoctahedral


species: Ca Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c e f

Wyckoff_letters: a e


species: Fe O Sr


species: Mg O Sn

species_pp: Mg_pv O Sn

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: i i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d

Wyckoff_letters: i i


species: Ca O Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Pb Sn Te

species_pp: Pb_d Sn Te

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Ca O Zn

species_pp: Ca_sv O Zn

Wyckoff_site_symmetries: m m


species: Br Na Tl


species: Ca O W

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Cd Mg O

species_pp: Cd Mg_pv O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mg Nb O

crystal_class: ditrigonal-pyramidal


species: Ca Mn O


species: Cd O Zn

species_pp: Cd O Zn

Wyckoff_letters_orig: a h g

Wyckoff_letters_orig: i j

Wyckoff_letters: a h g

Wyckoff_letters: i j


species: Cr O Sn

species_pp: Cr_pv O Sn

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ca O Ti

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Al Cl K

species_pp: Al Cl K_sv

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ca O Sn

species_pp: Ca_sv O Sn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c d

Wyckoff_letters: a c

Wyckoff_letters: c c d


species: O V Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Ti Zr

crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg O Ti

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca O V

Wyckoff_letters_orig: g i i j

Wyckoff_letters: g i i j


species: O Os Re


species: O Sn W

species_pp: O Sn W_pv


species: Nb O V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe O Sr


species: Al Br K

species_pp: Al Br K_sv

Wyckoff_letters_orig: e h i

Wyckoff_letters: e h i


species: Co Ni O

species_pp: Co Ni_pv O


species: O Sn V


species: Mn O Ti


species: Cd O Sr

species_pp: Cd O Sr_sv

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Co O


species: O Sn Zn

species_pp: O Sn Zn


species: Co O V

species_pp: Co O V_sv


species: Cd O Sn

species_pp: Cd O Sn


species: Ni O Ti


species: Mg O Sc

crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Mn Ni O


species: Co O W

species_pp: Co O W_pv


species: Nb Ni O

Wyckoff_letters_orig: c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c


species: Cd O Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: As O S

species_pp: As O S

crystal_class_orig: orthorhombic-sphenoidal


species: Cr O Zn

species_pp: Cr_pv O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ca I Na

Wyckoff_letters_orig: b h


species: K O Rb


species: Nb O Rb

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca K O


species: I Ta Te

species_pp: I Ta_pv Te

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ca H Sn

species_pp: Ca_sv H Sn

Wyckoff_letters_orig: c l

Wyckoff_letters_orig: a h

Wyckoff_letters: c l

Wyckoff_letters: a h


species: Ce Cu Pb


species: Co O Sr

species_pp: Co O Sr_sv

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: b a

Wyckoff_letters: b c c


species: Ce Rh Si

species_pp: Ce Rh_pv Si

Wyckoff_letters_orig: c c


species: I Li Rb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Nb Rb

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: K Mg O


species: K O Pb

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Li Nb O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ca O Pb

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cs K O


species: I K Li


species: Ca Cs I

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I K Pb


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: g g g g

Wyckoff_letters: f e

Wyckoff_letters: g g g g


species: K Na O


species: Li Na O


species: Al H La

species_pp: Al H La


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe O Zn

species_pp: Fe_pv O Zn

Wyckoff_letters_orig: a i


species: Cu O V

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: b b b b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a a

Wyckoff_letters: b b b b b b

Wyckoff_letters: b b


species: Fe O Sm

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Cu O Pr

species_pp: Cu_pv O Pr

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Eu O V

species_pp: Eu O V_sv

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Er O Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: c g


species: O Pr Ti

species_pp: O Pr Ti_sv

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a g g


species: Cr Er O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu O Pm

species_pp: Cu_pv O Pm

Wyckoff_letters_orig: g h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g h


species: Cu O Tb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cs I Pb


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag Bi I

species_pp: Ag Bi_d I

crystal_class_orig: tetragonal-disphenoidal

crystal_class: tetragonal-disphenoidal


species: O Sc V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O V Zn

species_pp: O V_sv Zn

Wyckoff_letters_orig: e f f f

Wyckoff_letters: e f f f


species: Mn Ni O


species: Fe O V

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

crystal_class: orthorhombic-bipyramidal


species: Cd O Sc

species_pp: Cd O Sc_sv


species: O Ti Zr

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: O Sc W

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Nb O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Br Cu Hg

species_pp: Br Cu_pv Hg

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: c d

Wyckoff_letters: a b


species: O V W

crystal_class_orig: ditrigonal-pyramidal


species: Cr Fe O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Cr Mn O

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters: i i i i i i i i i


species: Mn O Ti

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Fe O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Cd O Sr

species_pp: Cd O Sr_sv

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c a

Wyckoff_letters: c a


species: O Re Tl

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a f

crystal_class: hexoctahedral

Wyckoff_letters: a f


species: Cd Ni O

species_pp: Cd Ni_pv O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca O Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni O Sn

species_pp: Ni_pv O Sn


species: Co O W

species_pp: Co O W_pv

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca Cd O

species_pp: Ca_sv Cd O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Cd Cr O

species_pp: Cd Cr_pv O

Wyckoff_letters_orig: b d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b d


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Fe Mn O


species: Mg O Sr

sg2:
Ama2 #40
Pm #6
Pmma #51


species: Ca O V

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Ca Co O

species_pp: Ca_sv Co O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: a a


species: O Sc W

crystal_class_orig: orthorhombic-pyramidal


species: Co O Sc

species_pp: Co O Sc_sv

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu O Sn

species_pp: Cu_pv O Sn

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: i k

Wyckoff_letters: e f

Wyckoff_letters: i k