species: B Fe

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g g g g g g g h h h h h h h

Wyckoff_letters_orig: g g h h

Wyckoff_letters: g g g g g g g h h h h h h h

Wyckoff_letters: g g h h


species: Pb S

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

lattice_system_relax: cubic

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: tetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: c d

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Mg Te

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: B Nb

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: tetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT


species: Y Zr

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ir O

species_pp: Ir O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: Ca Fe

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: a c

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: F Sr

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

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

Wyckoff_letters_orig: b c c c c

crystal_class: ditrigonal-pyramidal

point_group_type: polar

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

Wyckoff_letters: b c c c c


species: Co Zr

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral


species: Mg Si

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

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a 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

Wyckoff_letters: i i

Wyckoff_letters: a i


species: Li O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au Ir

species_pp: Au Ir

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: O Pb

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: C O

species_pp: C O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: i h

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: i h


species: Er H

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_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b c

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: b c


species: Cu Te


species: O Sr

aflow_prototype_params_list_relax: a c/a


species: F Hg

species_pp: F Hg

aflow_prototype_params_list_orig: a b/a c/a beta x2 z2

aflow_prototype_params_list_relax: a b/a c/a x2


species: Ca O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_site_symmetries: m m m m m m m m m


species: B Ir


species: Co O

species_pp: Co O

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Li Si

Wyckoff_letters_orig: a d g g g h h h

Wyckoff_letters_orig: g h

Wyckoff_letters: a d g g g h h h

Wyckoff_letters: g h


species: Cr O


species: B W

Wyckoff_letters_orig: b c f

Wyckoff_letters: b c f


species: Cr F

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: f g

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

Wyckoff_letters: a d

Wyckoff_letters: f g


species: Y Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Y

Wyckoff_letters_orig: b d

Wyckoff_letters: b d

aflow_prototype_params_list_orig: a c/a


species: Mg Sb

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_class: diploidal

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: C Fe

Wyckoff_letters_orig: a b g h h

Wyckoff_letters: a b g h h


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Mo O


species: Hg Zr

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Ag Tc


species: Cd Cs

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cl Dy

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mg


species: O Sn

species_pp: O Sn


crystal_class: tetragonal-scalenoidal


Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: Cd Fe


species: Fe Zr


species: Ca Co


species: O Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca V


species: H S

species_pp: H S

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: I Mn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: Ca Fe


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Mn Ni

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Nb Ti

crystal_class: hexoctahedral


species: Mg Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Cr


species: Co Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr Fe

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Cr W


point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Mo


species: Cu Zn


species: Mn Mo

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mn V


species: Ni Zn


species: Co V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Zn

species_pp: Co Zn


species: Cr Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d i

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

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


species: Cr Ni

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Ni


species: Fe Mo


species: Fe Ti

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo V

crystal_class: ditrigonal-scalahedral


species: Ni Ti


species: Ti V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Mg

aflow_prototype_params_list_relax: a b/a c/a beta x2 z2


species: F Rb


species: Hg Ho

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg S

species_pp: Hg S

sg2:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: a f

Wyckoff_letters: a e

aflow_prototype_params_list_orig: a b/a c/a


species: Ca Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: K Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Li Rb


species: Nb Rb


species: Ca Cl

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: Cl Pb

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e f g g g

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e f g g g


species: Eu O

species_pp: Eu O


species: Co Gd

species_pp: Co Gd

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Dy Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cl Ta

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Ce Ni

Egap_DOS_type: metal


species: Er Fe


species: Er Zn


species: O Sm

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Pr Sm


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I In


species: I Si

species_pp: I Si

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg I

species_pp: Hg I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i

Wyckoff_site_symmetries: m m m


species: Ce Yb

species_pp: Ce Yb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Os


species: Cr Sc


species: Hf W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Sc Zr


species: Pt Tc


species: Cd Zn

species_pp: Cd Zn


species: Fe Zr


species: Fe Pd


species: Hf Pt


species: Fe Ta


species: Ir Rh

sg:
Pmma #51
Pmma #51
Pmma #51


species: Mn O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Cd Ti

sg:
Pnnm #58
Immm #71
I4/mmm #139

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mn Nb


species: Ca I

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr I


species: Fe I

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I K

sg:
Pnnm #58
Immm #71
Immm #71


species: I Li


species: I Mg


species: I Ni


species: Be I

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

sg2:
Immm #71
Immm #71
Immm #71

aflow_prototype_params_list_orig: a b/a c/a x2


species: I Zr

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

Wyckoff_letters_orig: f f f

Wyckoff_letters: e e e e f f f f f f f

Wyckoff_letters: f f f


species: I Sb

species_pp: I Sb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e f

Wyckoff_letters: a f e


species: Ba I


species: Hg I


species: I Pb


species: Cd W

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf La


species: Mo Zr

Wyckoff_letters_orig: a d


species: Ru Zr


species: Cu I


species: I Zn

species_pp: I Zn


aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Al I

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-dipyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Zr


species: Os Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pd V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hf Re


species: Sc Ti


species: Hf Mn


species: Ta Zr


species: Hg Os


species: Nb Ru


species: Tc Ti

Wyckoff_letters: a e


species: Hg La

species_pp: Hg La


species: Hg Pd

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


species: Nb Re


species: Pt Re


species: Rh V


species: Ir Y


species: Pd Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Pd


species: Hf Ta


species: Nb V


species: Ta W


species: Mo Zr


species: Nb Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb W


species: W Zr


species: Au Mn


species: Hg V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mo Tc


species: Re V


species: Pd Zr


species: Sc Y


species: Cr Re


species: Cd Y


species: Ni Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Ta


species: Cr Zr


species: Rh Sb


species: Bi Ti


species: C O

species_pp: C O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O

sg:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Hf O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Nb


species: Fe N

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: d g m

Wyckoff_letters: d g m


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo S


species: Ta Zn


species: Dy O


species: Ce O

species_pp: Ce O


species: F Mg


species: O Tc


species: F Ni

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Cd Hf


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V

crystal_class: orthorhombic-pyramidal


species: I V

crystal_class: dihexagonal-pyramidal


species: Cr Ni

sg:
Immm #71
Immm #71
Immm #71


species: F Mn

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Bi Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Ca Pt

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cr Mg

crystal_class_orig: dihexagonal-dipyramidal


Wyckoff_letters: c c


species: Cu V


species: Co O

species_pp: Co O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Te

species_pp: O Te


species: I Ti


species: Co K

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Zn

species_pp: O Zn


species: F Hg

species_pp: F Hg


Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: C O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: K Mg


species: O Os

crystal_class: hexagonal-trapezoidal


species: Ca Tc

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Os


species: Co Mg


species: Ag Bi

crystal_class: ditetragonal-dipyramidal


species: O Tb


species: Ca Mn


species: F Ni

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Al Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Tc


species: O Re

point_group_Schoenflies: T

point_group_structure: alternating


species: Mn Zn


species: Ge Se


species: F Mg

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c


species: Cu O


species: I Tc


species: O V

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: a i i i i i i i

Wyckoff_letters: i i i

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


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


species: As Ce

species_pp: As Ce


species: Ru Y


species: Hf La


species: F Mn

crystal_class_orig: tetragonal-scalenoidal


species: Co O

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: O Ti

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Re V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Mg


species: O Y

Wyckoff_letters_orig: a b b


species: Li O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: d d d d d d d d

Wyckoff_letters_orig: d d d d

crystal_class: tetragonal-pyramidal

Wyckoff_letters: d d d d d d d d

Wyckoff_letters: d d d d


species: Sc V


species: Li V


species: Fe Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: Cr Mg


species: Cu O

crystal_class: diploidal


species: Cr O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1


species: Mn P

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i i


species: Ge La


species: Cd W


species: Pb Te


species: Pb S


species: Li Mg


species: Ti V


species: Fe K


species: Mg O

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b


species: Ca Cu

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: S Sn

species_pp: S Sn

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: La Ta

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


sg2:
Pnnm #58
Pnnm #58
I4/mmm #139


species: Li Ti


species: Co Cu


species: O W


species: Hf Nb


species: O V

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: a c i i i i

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: a b i i i i


Wyckoff_letters_orig: a c


species: O Sn

sg:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cd Ti


species: Au V


species: Cr Cu


species: In La

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: O Zr

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m


species: Pd Ru

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cs O

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Cd O

sg:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c f

Wyckoff_letters: a f

Wyckoff_letters: c f


Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Ag O

species_pp: Ag O

Wyckoff_letters_orig: a e


species: Mg Se

crystal_class: hexoctahedral

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Se Yb

species_pp: Se Yb

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: f h

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f h


species: Mo Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Fe O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a c


species: Ho Pd

sg2:
Pnma #62
Cmmm #65
P4/mmm #123


species: Ca F

Wyckoff_letters: b a


species: I Ti


Wyckoff_letters_orig: a c


species: Fe Y

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Zn

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: d c


Wyckoff_letters: a b


species: O W

crystal_class: ditrigonal-scalahedral


species: Ca Co

crystal_class_orig: hexoctahedral


species: F Zn

species_pp: F Zn


species: Ru Ta


species: Mn O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: c f f


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b a

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b a


species: Co Os


species: Ni Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Ca Li


species: Mn Si

crystal_class_orig: tetrahedral


species: Hg V


species: Cu V

Wyckoff_letters_orig: b c


species: O Tl


species: K O


species: Nb Ta

Wyckoff_letters_orig: c f


species: Au Hf

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: B Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Co O

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a beta x6 z6


species: Li O

Wyckoff_letters_orig: a i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ca Cu

Wyckoff_letters_orig: a d


species: Co Cu

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Mn


species: O V

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: O Yb

species_pp: O Yb

crystal_class_orig: trigonal-trapezoidal


species: Ag Bi


species: Ca O


species: Mg O

Wyckoff_letters_orig: a c

crystal_class: orthorhombic-pyramidal


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e e


species: Fe O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Fe

Wyckoff_letters: a d


species: O Zn

crystal_class_orig: orthorhombic-sphenoidal


species: O W

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


crystal_class_orig: diploidal


sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: H Pd

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: c a


species: O Sr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: e e


species: O Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters: c e

aflow_prototype_params_list_relax: a b/a c/a


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ru Y

crystal_class_orig: orthorhombic-bipyramidal


species: Li Pb


species: Ca Pb

crystal_class_orig: ditrigonal-scalahedral


species: Pb Rb

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: Co Cu


species: Co Fe

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co Mn


species: Co Ti

Wyckoff_letters_orig: a f


species: Cr Cu

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: Cr Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Mo


species: Cu Ti


species: Cu V


species: Cu W

Wyckoff_letters: a c


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Mo Ti


species: Ni Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti W

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Fe


species: Cr Mn


species: Cr W


species: Cu Zn


species: Mn Ti


species: Mn W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Zn

Wyckoff_letters_orig: e e


species: Mo Ni


species: O Pb

Wyckoff_letters: a a a a


species: Hg Se

species_pp: Hg Se

crystal_class: trigonal-trapezoidal


species: Hg Te

species_pp: Hg Te


species: Hg In


species: Hg Yb

species_pp: Hg Yb


species: K Nb

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb Rb

Wyckoff_letters_orig: a c


species: Pb Ta


species: Rb Ta

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Cl


species: I Ta

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: Ni Sm


species: Co Sm


species: Cr Sm


species: Fe Yb


species: Co Nd

species_pp: Co Nd


species: F Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cl Rb


species: Dy V


species: Nd Zn

species_pp: Nd Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Pr


species: Cu Er


species: Dy Fe


species: Dy Sm


species: Fe Tb


species: Nd Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Tb V


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Er Ti


species: Hg Pd


species: La Ru

crystal_class_orig: orthorhombic-pyramidal


species: Ni Rh


species: Pt Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Rh Tc


species: Mn Ru

crystal_class_orig: hexoctahedral

Wyckoff_letters: a c


species: Nb Os


species: Hg Y


species: O Sr

Wyckoff_letters_orig: i i i i i i

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i i i i i i

Wyckoff_site_symmetries: m m m m m m


species: Au Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Zr


species: Cu Zr

Wyckoff_letters_orig: c e


species: Fe Nb


species: Cu Os


species: Fe Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ru V


species: Cd Hg

species_pp: Cd Hg


species: Cr Re


species: Hg Zn

species_pp: Hg Zn


species: Sc W


species: Hg V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca I


species: Co I

species_pp: Co I


species: Fe I


species: I K


species: I Li


Wyckoff_letters_orig: e e


species: I Mg

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Ni

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Ag I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


Wyckoff_letters_orig: a a


species: I Sb

species_pp: I Sb


species: Ba I

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: Hg Ti


species: Mo Pd

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cu I

Wyckoff_letters: c c


species: I Zn


species: I Sr

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Au Mn


species: Ag Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Re


species: Nb Ni


species: Fe O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a


species: Pt Y


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: La V

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Cd Hf

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Hf


species: Cu La


species: La Re


species: Ta Zn


species: Ag Ti


species: Os V


species: Cu Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf W


species: Ti Zr


species: Hf Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Ta


species: Hf Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Nb W


species: Hf Nb


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Cr


species: Mo Y


species: Os Pt

crystal_class: diploidal


species: Dy Mn


species: Mn Sc


species: Tc Zn


species: Hg Ta

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cd Y

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hf Mn


species: P Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Sc Te


species: Fe Y

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Hg Pt

species_pp: Hg Pt


sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: O Pb


species: W Zn


species: O Ru

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

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


species: Ge Te


species: Ca V

Wyckoff_letters_orig: a c


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

crystal_class: monoclinic-prismatic

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


species: Ca Cu

crystal_class: dihexagonal-dipyramidal


species: Ge Se

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Cd Cr

Wyckoff_letters: a c


species: Ca O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: c c


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: h g

Wyckoff_letters: a h


species: Cr O


species: Co Cr

crystal_class: hexoctahedral


species: Cr Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters: e e


species: Li V

Wyckoff_letters_orig: a h


species: Ni O


species: Sn Te

species_pp: Sn Te


species: O Ta


species: O W

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: O Zn

species_pp: O Zn


species: Ca Tc


species: O Sr


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Sn Tl


species: Cd O

species_pp: Cd O


Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: K O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: Cr K


species: Ag Hf


species: B Th

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Co Li

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: K P

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters: a e


species: Li Mg


species: F Mg

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: B Li

Wyckoff_letters_orig: e g l

Wyckoff_letters: e g l


species: I Tc

sg2:
Pnma #62
Pmma #51
Pmma #51

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a e f


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Pt Si

species_pp: Pt Si

Wyckoff_letters_orig: c h h h h h h i i

Wyckoff_letters: c h h h h h h i i


species: Co Ru


species: Bi O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a e

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: O Ru


species: Cd Ru


species: Co O

species_pp: Co O


crystal_class_orig: diploidal


species: Cu Nb

Wyckoff_letters_orig: c f


species: F Fe

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Nb Y


species: O Zr

sg:
Pban #50
Pban #50
Pban #50

sg2:
Pban #50
Pban #50
Pban #50

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Tc


species: Ca Mn


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Li


species: C Nd

species_pp: C Nd


species: As Hf


species: Pb Se


species: Mn W

Wyckoff_letters: c f


species: I Tc

sg:
Cmce #64
Fmmm #69
I4/mmm #139

sg2:
Cmce #64
Cmce #64
Cmce #64


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Au Cl

species_pp: Au Cl

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: F Mn


species: I Mn

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Co Mg


species: Ag Bi

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Fe O


species: O Sn

species_pp: O Sn


species: I O

species_pp: I O

Wyckoff_letters_orig: g i

Wyckoff_letters: a g


species: O W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F Fe

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: I Nb


species: Be Hf


species: Pt V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b b b b b b

Wyckoff_letters_orig: a a a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: b b b b b b

Wyckoff_letters: a a a b b


species: Bi Tb


species: Rh V


species: I Mg


species: I V

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pbcm #57
Pbcm #57
Pmma #51

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a d d

Wyckoff_letters: a e f


species: Cr Fe


species: Cr O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f h i j


species: Cd Er

crystal_class_orig: ditrigonal-scalahedral


species: Ag Bi

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Mg O

crystal_class: ditetragonal-dipyramidal


species: Ge Te

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: C Hf


species: K O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Nb Se

crystal_class_orig: dihexagonal-dipyramidal


species: Re Zn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co K


species: O W

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Sc


species: Co O


species: Ag Th


species: Sn Te


species: Dy O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Li Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zr

Wyckoff_letters_orig: a b


species: H Sc

Wyckoff_letters_orig: c f


species: O Pt

species_pp: O Pt


species: I V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F V

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Co Zr

crystal_class_orig: ditrigonal-dipyramidal


species: Si Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li V


species: F Fe

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ti Zr


species: I O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Ir O

species_pp: Ir O

Wyckoff_letters: a h


species: Rh Tc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Ca O

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: d c e

Wyckoff_letters: h g o


species: Li Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf V


species: Co Fe


species: Pt Y

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: O Zn

crystal_class_orig: trigonal-trapezoidal


species: I Tc

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal


species: Cs Pb


species: Tb Tc


species: Fe Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: H Ti

Wyckoff_letters_orig: a c d

Wyckoff_letters: a c d


species: Pt Tc

crystal_class_orig: ditetragonal-dipyramidal


species: I Mg


species: Ca V

crystal_class_orig: hexoctahedral


species: Cr O

crystal_class: ditrigonal-pyramidal


species: Cr K


species: Fe O

Wyckoff_letters_orig: e e


species: F Nd

species_pp: F Nd

Wyckoff_letters_orig: b f i

Wyckoff_letters: b f i


species: O Sc


species: Mg O


species: F I

species_pp: F I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b b


Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: Ru Y


species: Ru Zn


species: Mn O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ni Zr

crystal_class_orig: dihexagonal-pyramidal


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Zn Zr


species: Ca Pb

crystal_class_orig: tetrahedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Ni

crystal_class: ditrigonal-dipyramidal


species: Fe V


species: Co Ni


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ti


species: Cr Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Zn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cu Fe

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu Ti

Wyckoff_letters_orig: a d


species: Cu Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Ni


species: Fe W

crystal_class_orig: diploidal

crystal_class: diploidal


species: Mn Ti


species: Mo V

Wyckoff_letters: a d


species: Mo W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ti Zn


Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: V Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: W Zn


species: Co Fe


species: Co Mn


species: Co V


species: Co Zn

species_pp: Co Zn


species: Cr Mn


species: Cr V


species: Cr Zn

Wyckoff_letters: c d e


species: Cu Zn


species: Mn Mo


species: Mn Ni

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mo Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ti W


sg:
Pnnm #58
Immm #71
Immm #71


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Mo

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ca Cl

Wyckoff_letters_orig: a a


species: Cl Nb

Wyckoff_letters_orig: a d g

Wyckoff_letters: a c k


species: Hg In


species: Hg K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Se

species_pp: Hg Se

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Rb


species: Ca Ta


species: Cs K


species: Li Nb


species: Li Ta


species: Nb Pb


species: Rb Ta


species: F Nb


species: Cl Li

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O Pb

sg:
Pnma #62
Pnma #62
Pnma #62


species: Er Fe


species: Fe Pm


species: Co Eu

species_pp: Co Eu


species: Cr Er

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu Ho

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Tb V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


crystal_class_orig: ditrigonal-pyramidal

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

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

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


species: Fe Yb

Wyckoff_letters_orig: c d e


species: Ce Mn


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Sm


species: Cu Sm


species: Cu Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Dy Nd


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Yb

Wyckoff_letters: c d e


species: Hg I

species_pp: Hg I

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: I In

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd I

species_pp: Cd I


species: Co I

species_pp: Co I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga I


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Si

species_pp: I Si


species: Cr Re


species: Hf Zr


species: La Tc


species: O Zr


species: Au Rh

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn Pm


species: Hg Pd

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Rh

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Zn

species_pp: O Zn

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Co La

species_pp: Co La

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Hf Ni

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class: orthorhombic-bipyramidal


species: Hg W


species: Mn Pd

crystal_class: hexoctahedral


species: Re Y


species: Ni Os


species: Ag Y


species: Au Co

species_pp: Au Co

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Ru


species: Mg O


species: Sc V

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Rh

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca I

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64


species: Cr I

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Fe I


species: I K

sg2:
Pnma #62
Immm #71
I4/mmm #139


species: I Li


species: I In

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: f h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f h


species: Hf Ta

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: La Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu I

crystal_class_orig: hexagonal-trapezoidal


species: Al I


species: I Sr


species: Au Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sc Ti


species: Hf V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Ta

crystal_class_orig: hexoctahedral


species: O V


species: Ir Rh

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Rh


species: Cd Os


species: Cr Hf


species: Fe Te

Wyckoff_letters_orig: a b


species: Nb Rh


species: Ta V


species: Ta W


species: Hf Ti


species: Mo Nb


species: Cr Ir


species: Ag Pd


species: Hf Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Nb


species: Sb Sr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Ti


species: Ir Ni

Wyckoff_letters: g f


species: Cd Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Eu Ni


species: Sc Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Bi Se

crystal_class_orig: orthorhombic-pyramidal


species: Ir Os

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ba Cl


species: Ca K


species: Au La

species_pp: Au La


species: K O


species: O Tc

Wyckoff_letters_orig: n m


species: I Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c

Wyckoff_letters: a b


species: Co O

species_pp: Co O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

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

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

crystal_class: monoclinic-domatic

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

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


species: K Li


species: Ni O

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Hf V


species: Mn Ti


species: Mo V


species: In Te

Wyckoff_letters_orig: g g g g

Wyckoff_letters_orig: g g g

Wyckoff_letters: g g g g

Wyckoff_letters: g g g


species: O Sr


species: F Zn

species_pp: F Zn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: O Zn

crystal_class_orig: tetrahedral


species: Ta Te

Wyckoff_letters_orig: a c c c e

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters: a c c c e

Wyckoff_letters: g g g g g g


species: Ca Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: B Ni


species: Mg O

sg:
Cmce #64
Cmce #64
Cmce #64


species: O Zr

Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: O Ti

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Hf Tc


species: Cr O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: K O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63


species: Ni Zr


species: Li O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O V

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: F V

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: Co Li

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c c c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c c c


species: Ir Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Dy O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co V

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: I Ti


species: Ta Tc


species: Co Rh


species: Pd Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu F


species: Rb Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Mo O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Zn Zr


species: Cu K


species: Ca Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd W


species: Co O


species: O Sc

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Os Ta

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: B Ru

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ca O


species: Cl Cr

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a c g h


species: Fe O


species: Cr F


species: Cr O

Wyckoff_letters_orig: a b f f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a b f f

Wyckoff_letters: e f f


species: Nb Tc


species: O Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: K Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F V

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Mg Rh


species: Ca Zn


species: F Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Mn

crystal_class_orig: ditrigonal-pyramidal

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

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

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


sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cu F


species: Ca Cu

crystal_class_orig: dihexagonal-pyramidal


species: O Pt

species_pp: O Pt


species: Hg Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ba P

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: d f

Wyckoff_letters: a g

Wyckoff_letters: d f


species: F Mg

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


species: As Li

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Sr

crystal_class_orig: orthorhombic-bipyramidal


species: I V

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


species: F Fe

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Ni O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: a e

Wyckoff_letters: f f


species: Ca Cr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: As B

Wyckoff_letters_orig: a a b b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b b


species: K O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ga Rh

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Co Mg


species: O Pd


species: Hf O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Mn Mo

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Sc


species: Ca Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h


species: O V


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: i i i i

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

Wyckoff_letters: i i i i

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


species: K Mg


species: Li Tc

crystal_class_orig: ditetragonal-dipyramidal


species: Cd Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Os


species: O Zn

Wyckoff_letters_orig: a a


species: O Sn


species: Hf Ni


species: K O


species: Hg Mo

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: F Ni

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ni O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Se Sn

species_pp: Se Sn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ca Mg

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cu F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Mg Te


species: C Mo


species: O W

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries: mmm mmm


species: Fe In

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co F

species_pp: Co F

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b g


species: F Mn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cu K

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Bi Ti


species: I Zn

species_pp: I Zn


species: Mg O

crystal_class: monoclinic-prismatic


species: Re V

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Ta Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: S Zn

species_pp: S Zn


species: F Fe

aflow_prototype_params_list_orig: a c/a y2


species: F V

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: Ce O

species_pp: Ce O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Pd Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Li


species: B Co

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ca Pb

Wyckoff_letters_orig: c c


species: Mg Pb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ce Te

species_pp: Ce Te

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: K Pb

crystal_class: hexoctahedral


species: Cr Cu

crystal_class: ditrigonal-scalahedral


species: Co Fe


species: Cr Fe

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu W


species: Fe Mn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Fe V


species: Fe W


species: Mn V


crystal_class_orig: diploidal


species: Mo W


species: Ni Ti


species: Co Mo

Wyckoff_letters_orig: b g


species: Cr Ni

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Mn Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ni


species: Mo V

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ti V


species: V Zn


species: Mn Mo

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ca Hg


species: Hg Mg

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Rb


species: Ca Nb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca Ta


species: K Rb


species: Mg Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rb Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: K Ta

Wyckoff_letters: a b


species: Hg Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Pb

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: F Pb


species: Ce O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m


species: Co Er

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Eu Sm


species: Ti Yb

crystal_class_orig: ditrigonal-scalahedral


species: Ce Zn

species_pp: Ce Zn


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cr Pr


species: Dy Gd


species: Dy V


species: Gd Mn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ho Nd


species: Nd Sm

crystal_class: ditetragonal-dipyramidal


species: Tb V


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Ni


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Au Ir

species_pp: Au Ir

crystal_class_orig: orthorhombic-bipyramidal


species: Au Ru


species: Cu Hf

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu La


species: Hf W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir Nb

crystal_class_orig: dihexagonal-dipyramidal


species: Ru V


species: Sc Ti


species: Ni Re

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe La

crystal_class_orig: dihexagonal-pyramidal


species: Hf Pd


species: Ni Pd


species: Cd Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Fe Sc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Zn

species_pp: Hg Zn


species: Au Te

species_pp: Au Te

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e a


species: Nb Pd


species: Rh Ru


species: Au Nb


species: Ta W

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ir V

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Re Y


species: La Re

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca I


species: Cr I

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I K


sg:
Pmmn #59
Pmmn #59
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Li


species: I Mg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Be I

Wyckoff_letters_orig: f f

Wyckoff_letters: h h

Wyckoff_site_symmetries: .m .m


species: Ag I

species_pp: Ag I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b c i


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: I Sb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


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

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


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ba I

Wyckoff_letters_orig: h h


species: I Pb


species: Er Fe


species: Hf Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu I


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ga I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a


species: I Sr

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Cl Nb

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Y Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd Y


species: Ti Zr

crystal_class_orig: hexoctahedral


species: Cr Hg


species: Ni Os

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pt Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ta Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Ti


species: Ag Y

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Au Ru

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ba Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Mo


species: Cd Cr


species: As S

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Mn Ru


species: Hf Ti


species: Hf V


species: Hf W


species: Mo Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb W


species: Ta Ti


species: Hf Nb

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V Zr

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

Wyckoff_letters: b h


species: Mg Se

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: Pd Ti


species: Ag Ti


species: Cd Pt

species_pp: Cd Pt


species: Mn Sm


species: Ag Nb

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ag Os


species: Ce Er


species: Ba Se


species: Ag W


species: F Mg


species: Br W

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i i i


species: Fe Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Cu

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Cr Sc


species: F Zn

species_pp: F Zn


species: Ce Tl


species: Ag Bi

Wyckoff_letters: a c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: F Sr

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Pt Ru


species: Ca O


species: O Sr


species: Pd W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ca F


species: Cr O

Wyckoff_letters_orig: a c


species: I Ti


species: B Re

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li V


species: Fe Hg


species: Au Pt

species_pp: Au Pt


species: Ca K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Li Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Tc

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: Ca Mn


species: F Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: N Pd


sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Bi Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Ti


species: Ag Bi


species: Nb Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Ti

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_site_symmetries_orig: m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b

Wyckoff_site_symmetries: m m m m 1 1


species: Fe Li


species: O W

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: a b

Wyckoff_letters: a e

Wyckoff_letters: a b


species: Fe Mo

Wyckoff_letters_orig: h i


species: Sc V


species: Tl Y

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Ca F


species: Ba Si

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Wyckoff_letters: a d


species: Mg O


species: Cd La

species_pp: Cd La

crystal_class: hexoctahedral


species: Ti W

Wyckoff_letters_orig: b e


species: Cr O


species: Pd Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class: orthorhombic-bipyramidal


species: F Fe

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: C O

species_pp: C O

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: d d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: d d


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ca O


species: Bi Ti

Wyckoff_letters_orig: b f

crystal_class: ditetragonal-dipyramidal


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Pt Zr


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I K


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Bi O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Mo P

Wyckoff_letters_orig: a e


species: Nb O

crystal_class_orig: tetragonal-trapezoidal


species: Co F

species_pp: Co F

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters: c c


crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: I Ti

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Cr Mg


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Cu


species: Au Hf

crystal_class_orig: dihexagonal-dipyramidal


species: Ba F


species: Fe Pd


species: Dy Si


species: Fe O


species: O Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Os

crystal_class_orig: ditrigonal-dipyramidal


species: Ni V

crystal_class_orig: ditetragonal-dipyramidal


species: Mg Te


species: O Zr

Wyckoff_letters_orig: a b


species: Gd Si

species_pp: Gd Si

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Cu O


species: I Tc

crystal_class_orig: hexagonal-trapezoidal


species: Ni Si

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a f c h g g

Wyckoff_letters: c c g h


species: Co Hg

species_pp: Co Hg


species: F Hf

crystal_class_orig: dihexagonal-pyramidal


species: Er Te

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: f h

Wyckoff_letters: e e

Wyckoff_letters: f h


species: Li Tc

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ca Mg


species: La W

Wyckoff_letters: c d e


Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Co Zr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Sn

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Cu K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe

Wyckoff_letters_orig: c c


species: Cr Ti


species: Ho O

Wyckoff_letters_orig: e e e


species: Mn O

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Nb Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Si Sr


species: Se Sn


species: O W

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Ca O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Ca Ni


species: F Ti

Wyckoff_letters: e e e


species: Ca V

sg2:
Pmma #51
Pmma #51
Pmma #51


species: V Zn


species: Cd W


species: Ru Ti


species: Ca Fe


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: e e


species: Hg Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Th Zn


species: Fe I


species: Lu Re


species: Ca Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I Ti

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d

Wyckoff_letters: c d d


species: Cl Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: c c h h


Wyckoff_letters_orig: a d


species: Re Rh

Wyckoff_letters_orig: c c

Wyckoff_letters: a c


species: Mo O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sn

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Mn Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Re

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: e e


species: Nb O

sg:
Pmma #51
Pmm2 #25
Pm #6

crystal_class_orig: monoclinic-domatic

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

Wyckoff_site_symmetries_orig: m m m m m m m m m m

Wyckoff_letters: a a a a

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

Wyckoff_site_symmetries: m m m m m m m m m m


species: I Tc

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f


species: O Os

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Zn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


species: Rh W


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ge Se

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ca K


species: Pd Pt

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Pb

Wyckoff_letters: a d


species: Co Mn


species: Co Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Ni


species: Cu V


species: Fe Ti


species: Fe V

Wyckoff_letters_orig: a d


species: Fe Zn


species: Mn Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mo Ni


species: Mo V


species: Ni Zn


species: V W

Wyckoff_letters: a c


species: Co Cu


species: Co W


species: Cr Fe


species: Cr Ni


species: Cr W


species: Cu Mo


species: Fe Mo


species: Fe W


species: Mn Ni


species: Mn V


species: Mn W


species: Ni Ti


species: Ti Zn


species: W Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cl Nb

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: F K


species: Hg Ho


species: Hg K

sg2:
Cmmm #65
Cmmm #65
P4/mmm #123

Wyckoff_letters_orig: a f


species: Hg Li


species: Hg Mg

Wyckoff_letters: c d e


species: Li Rb


species: Li Ta

Wyckoff_letters_orig: a c


species: F Mg


species: Cl Pb


species: Gd Sm


species: Sm Tb


species: Sm V


species: Ho Yb


species: Pr Sm


species: Co Ni

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: O Pb

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ce Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Sm

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Dy Fe


species: Dy Pm


species: Er Tb


species: Ni Sm


species: Ag I

species_pp: Ag I

sg2:
Cm #8
Cm #8
Cm #8

crystal_class: dihexagonal-pyramidal


species: I Pb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I


species: Cs I


species: I In

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Sr

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ag Zn

species_pp: Ag Zn


species: Hf Os

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ir La

species_pp: Ir La


species: Tc Y

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cd W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ta


species: Tc Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Ta

Wyckoff_letters_orig: b f


species: Hf Sc

Wyckoff_letters: a c


species: Os Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Ta

crystal_class_orig: diploidal


species: Ir Mo


species: Au La

species_pp: Au La


species: Co Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Tc


species: W Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Au Tc


species: Hf Ni

Wyckoff_letters_orig: a c


species: Ca I

crystal_class_orig: monoclinic-prismatic


species: Cr I

crystal_class: monoclinic-prismatic


species: Fe I

sg2:
Cc #9
Cc #9
Cc #9


species: I K

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: I Mg

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Be I


species: Ag I


Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: I In

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ba I

Wyckoff_letters: a c


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I Pb

crystal_class_orig: ditrigonal-scalahedral


species: Ag Cr


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b d

crystal_class: dihexagonal-dipyramidal


species: Cd Cs

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Hf


species: Nb Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Rh

crystal_class: hexoctahedral


species: Co Hf

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Zr

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Rh


species: Os Re


species: Au W

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Fe

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co Hg


species: Mn Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ta

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Mo Nb

crystal_class_orig: ditetragonal-dipyramidal


species: Nb V


species: Hf Nb


species: Hf Ti


species: Mo Zr


species: Ta V


species: Ta Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ti Zr


species: Fe Hg


species: Ni Os


species: Ag Cr


species: La Tc


species: Hf Hg

crystal_class: ditetragonal-dipyramidal


species: Ag Y

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Br Tl


species: Cd Co

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: F Mn

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Mo Re

crystal_class: ditrigonal-scalahedral


species: Hf V


species: Co Ni


species: O Yb

species_pp: O Yb


species: Fe Mg


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


species: Au Fe

sg:
Pmma #51
Pmma #51
Pmma #51


species: Mo O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cl Ta

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Pt

species_pp: O Pt


species: Os S


species: Pt Tb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr O

crystal_class: tetrahedral


species: Fe Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: F Ni


species: Mo Ru


species: F Sr


species: S Si

species_pp: S Si


species: O Tc

Wyckoff_letters: c b


species: Ta Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn Y


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: e e


species: O Sr

sg:
Pbca #61
Pbca #61
Cmce #64


species: Ta Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: C Pt

species_pp: C Pt


species: Mg O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: I Tc


species: Ni Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li N

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: Ge S

Wyckoff_letters: e e


species: Co Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni O


species: Hg Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I V

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Bi O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sb

species_pp: O Sb


species: F V

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Ca Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mg

Wyckoff_letters_orig: a d


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b b b c c

Wyckoff_letters_orig: b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b b c c

Wyckoff_letters: b b


species: Cu Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Bi Ti

Wyckoff_letters_orig: e e


species: I Mn

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i


species: Cu O


species: Fe O

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Co Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: I Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Co

sg2:
Pnma #62
Pnma #62
P4/mmm #123


species: Fe Ni


species: O Sr


species: Ca Zn


species: I Nb


Wyckoff_letters: a d


species: Hg Zn

species_pp: Hg Zn


species: Pb Te


species: As Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Pt

crystal_class_orig: hexoctahedral


species: Hg Mn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Zn

sg:
Pnma #62
Pnma #62
Cmcm #63


species: F Fe


species: Pb Rb

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

Wyckoff_letters_orig: e e f f f

Wyckoff_letters: e e e e e e f f f f f f

Wyckoff_letters: e e f f f


species: Mg S


species: Li Tc

sg:
Pnnm #58
Immm #71
Immm #71


species: Cr O

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Cu Ir


species: Hf O


species: H Nb

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: g i j m

Wyckoff_letters_orig: d h

Wyckoff_letters: g i j m

Wyckoff_letters: d h


species: Ce Ir

species_pp: Ce Ir

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Zn

species_pp: Co Zn


species: Cu F

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Er Pt

sg2:
Pnma #62
Pmmn #59
P4/mmm #123


species: Cu Mg


species: O W

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Ta

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: S Sn


species: I Li


species: Pb S


species: Si Y


species: F Zn

species_pp: F Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: O Pb


species: As Ca


species: Mo Sc


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a a a a a a a

Wyckoff_letters: a a a


species: Ni O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Fe O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h h


species: O Sc

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Nb O

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: Ag Hf


species: I V


species: Mn O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: O Tm

species_pp: O Tm


species: I Mn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j

Wyckoff_letters: g i


species: Mg Si

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m


species: F Ni

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Cu

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: Se Sn

species_pp: Se Sn


sg:
Pmm2 #25
Pmmm #47
Pmmm #47

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: c f

Wyckoff_letters: a l

Wyckoff_letters: d k


species: Co Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: B Co

Wyckoff_letters_orig: a c f h

crystal_class: hexoctahedral

Wyckoff_letters: a c f h


species: V Zr

Wyckoff_letters: c f


species: Li O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c e


species: Ge O

sg:
Pbca #61
Pbca #61
Pbca #61


species: F Ti


species: O Pd

Wyckoff_letters_orig: e e


species: Cd Sc

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Bi O

Wyckoff_letters_orig: a h i

Wyckoff_letters: a h i


species: Re Rh

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Ta


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: a d c

Wyckoff_letters: c h


species: F Fe

crystal_class_orig: ditetragonal-dipyramidal


species: F V

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

Wyckoff_letters_orig: a a b

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

Wyckoff_letters: a a b


species: K O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: Ti Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Zr


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l


species: Ca Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ir Sc

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O Zr

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sn

species_pp: O Sn


species: Ca I


species: Cd F

species_pp: Cd F


species: F Ti

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: Ga Te


species: Sc Y


species: Al Mg


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: Ca V

crystal_class: ditetragonal-dipyramidal


species: Cd Rh


species: O Re


species: Cr F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b a a a a

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b a a a a

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


species: I Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: K Pb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mg Nb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Ta

sg:
Pnma #62
Pmmn #59
Pmmn #59

sg2:
Pnma #62
Pmmn #59
Pmmn #59

Wyckoff_letters: a e


species: Cu W


species: Fe W


species: Co V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mo


species: Cr V

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mn Ni

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Mn W


Wyckoff_letters_orig: a e

crystal_class: tetrahedral


species: Mo Ti


species: Mo Zn

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: b c


species: Ni W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ti Zn


species: V Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: W Zn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Co Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr Cu


species: Cr Mn


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cr Ni


species: Cr Zn


species: Cu Fe


species: Cu Mn


species: Cu W


species: Mn Ti


species: Ni V


species: Ni Zn


species: V W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cl Pb

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

Wyckoff_letters_orig: b c c c c c c

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

Wyckoff_letters: b c c c c c c


species: F Nb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cl Mg


species: Hg Ho


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Li


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Rb


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg Yb

species_pp: Hg Yb


species: Ca Cs


species: K Rb


species: Nb Pb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Mn Pr


species: Er Nd


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Cl Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ce Ho

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Nd


species: Cu Eu


species: Fe Sm


species: Mn Sm

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pm Tb


species: Ga I


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Pt

species_pp: Co Pt

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Hg Ta


species: Mn Tb


species: Sc W


species: Cd V


species: Nb Os


species: Fe Os


species: Hg Re


species: Ir W


species: V Yb


species: Mo Y


species: Ni Os


species: Ca N


species: Cd Tc


species: Cr Hf


species: Hf Tc


species: Hf Ti

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Pt


species: Pt Tc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co I

species_pp: Co I

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: a b g g

Wyckoff_letters: c g

Wyckoff_letters: a b g g


species: Fe I

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I K

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I Li


Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: I Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: a h


Wyckoff_letters_orig: a a


species: Be I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Sn

species_pp: I Sn


species: Ba I

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Hg I

species_pp: Hg I


species: I Pb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e