species: Cu Li

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Hg Nb

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCT

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Ag Tb

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Cr Ni

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: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX


species: F Mn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

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

Wyckoff_letters_orig: c c

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

Wyckoff_letters: c c


species: O Pr

species_pp: O Pr

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-sphenoidal

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

aflow_prototype_params_list_relax: a c/a x2


species: Mg S

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: diploidal

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic


species: C Nb

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal


species: Nb O

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Wyckoff_letters_orig: a c

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: a c


species: Ho Pt

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn

species_pp: O Sn


species: Cd O

species_pp: Cd O

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Cu Fe

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

point_group_type: polar

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


species: O Si

species_pp: O Si

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ti Zn

Wyckoff_letters_orig: a d


species: F V


species: F Sr

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Ca Mg

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: F Ti

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: Fe O

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 a b c e

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 a b c e

Wyckoff_letters: a b


species: B O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: O W

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-pedial

point_group_structure_orig: trivial

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a a a a a a a a

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: I Mn

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

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

aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta


species: Ca Fe


species: Ca Tc


crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: b c

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Wyckoff_letters: i i


species: Mn Sc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Tc

aflow_prototype_params_list_orig: a c/a x2


species: Ni V

Wyckoff_letters_orig: a i

reciprocal_lattice_type: MCLC

Wyckoff_letters: a 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: K Li

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ce Se

species_pp: Ce Se

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca F


species: Ag Bi

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ni O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: Au O

species_pp: Au O

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Ca O

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: Mn Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ti V

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

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Wyckoff_letters: c e

aflow_prototype_params_list_orig: a b/a c/a


species: Ag Zr

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB


species: Ca I

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

aflow_prototype_params_list_orig: a b/a c/a alpha beta gamma x2 y2 z2

aflow_prototype_params_list_relax: a b/a c/a alpha beta gamma x2 y2 z2


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sb

species_pp: O Sb

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_type: enantiomorphic

point_group_structure: alternating

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c c

Wyckoff_letters: a b b


species: O Tb


species: Cr F


species: O Sc

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: Sc Zn


species: Ca Cr


Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC


species: O Ru

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cr Li


species: Ca Mg

Wyckoff_letters_orig: a l

Wyckoff_letters: a h

aflow_prototype_params_list_relax: a c/a z3


species: F Sc


species: Bi Ti


species: F Mn


species: Er Mg


species: K Mg

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ca Co

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: Ac O

species_pp: Ac O


species: Si Sr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: c l


species: Co Os

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: Ca V


species: Cu O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Fe Ni


species: Cr Fe

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Os Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Cd O

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Li V

crystal_class_orig: ditetragonal-dipyramidal

aflow_prototype_params_list_orig: a c/a z3


species: Au O

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: a b

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL


species: Co S

species_pp: Co S

crystal_class: dihexagonal-pyramidal


species: Cr O


species: F Pd

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

crystal_class: trigonal-trapezoidal

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Ir Ni

point_group_structure_orig: symmetric

point_group_structure: symmetric


species: O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Ta

Wyckoff_letters_orig: a a a a a a

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b a b

Wyckoff_letters: b b


species: Br Ru

sg:
Pmmn #59
Cmcm #63
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a b e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b a e e


species: Ir O

species_pp: Ir O

crystal_class: ditetragonal-dipyramidal


species: O Re


species: Mn Ti


species: Ru Sm


species: Ge Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Fe

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Se Zn

species_pp: Se Zn


species: Cd Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti


species: Bi Ti

Wyckoff_letters_orig: a c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Li Mg


species: Cr K


species: Co Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: I Ti

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: h i


species: Mo O


species: I Nb

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a


species: F Mn

Wyckoff_letters: b a


species: Hf Sc


species: Al H

species_pp: Al H


species: Li V


species: Rh Tc

crystal_class: hexoctahedral


species: Br Cd

species_pp: Br Cd

Wyckoff_letters: a b


species: Cr W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Li


species: O W

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

aflow_prototype_params_list_orig: a b/a c/a x2


species: F Sr

crystal_class_orig: ditrigonal-pyramidal

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


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

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


species: O Pr


species: I Ni

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

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


species: N W

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d


species: Li Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Nb O

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Ir Sc

Wyckoff_letters: a d


species: Ca Ti


species: O Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Ir Si

species_pp: Ir Si

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: F Hg

species_pp: F Hg

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ni O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: F Zn

species_pp: F Zn

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Hf Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Au Re

Wyckoff_letters: c d e


species: O Pt

species_pp: O Pt


species: I Mn

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Cr Pd

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Rh Ti


species: O Ti

Wyckoff_letters_orig: a d e e

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a d e e

Wyckoff_letters: e e


species: Ge H

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: O Sb

sg:
Pmmn #59
Cmmm #65
Cmmm #65

sg2:
Pmmn #59
Pmmn #59
Cmmm #65

Wyckoff_letters_orig: a e e

Wyckoff_letters: a h g


crystal_class_orig: monoclinic-prismatic


species: Cr Hg


species: Bi Li

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Pb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Co V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Co W


species: Cu Fe


species: Cu Mn

Wyckoff_letters: a d


species: Fe Mn


species: Fe Mo

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Ti


species: Fe Zn


species: Mn Ni

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ni V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Cu


species: Cu Ni


species: Mn Ti


species: Ni W


species: V Zn

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: W Zn


species: Cl K

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Hg K


species: Hg Rb


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg Yb

species_pp: Hg Yb


species: Ca Cs

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs Li

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: K Rb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Rb


species: Nb Pb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Er O

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Ho O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a a c b d d

Wyckoff_letters_orig: d d d d d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a a b c d d

Wyckoff_letters: d d d d d d


species: Ce Nd

species_pp: Ce Nd


species: Fe Mn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Tm

species_pp: O Tm

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Tb Ti


species: Cr Gd


species: Co Pr

species_pp: Co Pr

Egap_DOS_type: metal


species: Dy Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Dy Zn


species: Er Nd


species: Er Ni

crystal_class_orig: ditetragonal-dipyramidal


species: Eu Ni


species: Ho Mn


species: Sm Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I

Egap_DOS_type: insulator

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

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

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a

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


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Hg I

species_pp: Hg I

crystal_class: monoclinic-prismatic


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: Ba I

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: I Ni

crystal_class: ditrigonal-scalahedral


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cd Os

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Fe Nb

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hg Ti


species: Ni Pd


species: Ti Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Mo


species: Mn Tc


species: Nb W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Sc

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: Cl K


species: Ta Ti

crystal_class: dihexagonal-dipyramidal


species: Ag Ru

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ir Pd


species: La Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Re Zn


species: Hf Ti


species: Rh Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Au La

species_pp: Au La

crystal_class_orig: dihexagonal-pyramidal


species: Au Re

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Zr


species: Ir Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ru Y

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Tc Y


species: Cd Re


species: Nb Pd


species: Os Re


species: Ag Sc


species: Cd Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Pt Zr

crystal_class_orig: dihexagonal-dipyramidal


species: Rh Y


species: Ca I

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I


species: I K

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: I Li

crystal_class: dihexagonal-pyramidal


species: I Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni


Wyckoff_letters_orig: f f

Wyckoff_letters: f f

Wyckoff_letters: c e


species: I In

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: I Sn

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: n n

Wyckoff_letters: c b e


species: I Pb


species: I Zn

species_pp: I Zn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


crystal_class_orig: monoclinic-prismatic


species: Au Rh

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Re


species: Ag Hf


species: Cr Ta


species: Ir V

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ag Zr


species: Cr Pt

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg Te

crystal_class: orthorhombic-pyramidal


species: Rh Ta


species: La Sc


species: Rh Ti


species: Ag V


species: Au Mn


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ta Ti


species: Ag O

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Cd Zr

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

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


species: Mo Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hf W

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Nb


species: Mo Ta

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb W


species: Ta Zr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Ta


species: Hf Zr


species: I Tc

crystal_class_orig: ditrigonal-pyramidal

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: Ag Tc


species: Hf Sc


species: Hg Mo


species: Ni Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ti Y


species: Pt Zr


species: Co Yb

species_pp: Co Yb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mo S

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e

Wyckoff_letters: a c f

Wyckoff_letters: b d e


species: Nb Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sc

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Al Sm


species: Pb Sr

sg:
Pnma #62
Pnma #62
P4/nmm #129

sg2:
Pnma #62
Pnma #62
P4/nmm #129

Wyckoff_letters_orig: c c

Wyckoff_letters: a c


species: Cr Ti


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: O Si

species_pp: O Si

crystal_class: tetragonal-scalenoidal


species: Hg Os

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Bi O


species: Bi Ti


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cl Mg


species: Cr Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li V


species: O W

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

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: Ru Zr


species: F Fe

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: O Ti

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: H Li

Wyckoff_letters_orig: i i i i i i i

Wyckoff_letters: i i i i i i i


species: Co Dy

Wyckoff_letters_orig: a c c d h

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


species: F Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: Tc Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Co O

species_pp: Co O


species: Cr Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Os Sc

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hg Y


species: Mo O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Eu O

species_pp: Eu O


species: O Zr

Wyckoff_letters_orig: f g i

Wyckoff_letters: f g i


species: S Sn

species_pp: S Sn


species: Fe O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Li Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ir Ta


species: O Sr


species: Os Rb


species: I Mn

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: K O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: O W

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: Be S

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a c

Wyckoff_letters: b c

Wyckoff_letters: a c


species: Ca Mn


species: Ta Zn


species: Co Fe

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: O V

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: Ge Se


species: Cr Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Bi O


species: Pb Te

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I Tc


species: F Mn

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: Fe K


species: Cl Sc

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Cr O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: I Nb

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

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

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


species: B N

crystal_class_orig: dihexagonal-pyramidal


species: O Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: d c


species: Ir Te

species_pp: Ir Te

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i


species: O Sn


species: I Ti


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Si

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d d d d d d d d d d d

Wyckoff_letters_orig: c c c c d d d d d

Wyckoff_letters: c c d d d d d d d d d d d

Wyckoff_letters: c c c c d d d d d


species: Au Cd

species_pp: Au Cd

crystal_class: ditrigonal-scalahedral


species: Cu K


species: Ge Rh

Wyckoff_letters_orig: a a c

Wyckoff_letters: a a c


species: Fe Nb

Wyckoff_letters_orig: b d

crystal_class: hexoctahedral

Wyckoff_letters: b d


species: Li O


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a a

Wyckoff_letters: b a


species: Os Pt

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Ba S

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Zr

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Li Mg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pd


species: Cr F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Ru


species: Co Cr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Sb V

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr Ir

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Dy In


species: Cd Nb


species: Ru Ti


species: Nb O


crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca O

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: I Ti


species: Br Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ca I


species: F Fe


species: Sc Zr


species: Co Li


species: Cd Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Sr

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: La Si

species_pp: La Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ru

crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb Ta

crystal_class_orig: ditetragonal-dipyramidal


species: Bi Cs


species: Bi Cu

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: Co O

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cd F


species: Ca Li


Wyckoff_letters_orig: f f f


species: F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


species: Ca N

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: F V


species: Mn O

crystal_class_orig: tetragonal-trapezoidal


species: Cu Zr


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: As S

species_pp: As S

Wyckoff_letters_orig: e e f

Wyckoff_letters_orig: e f f

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: e e f

Wyckoff_letters: e f f

Wyckoff_site_symmetries: m m 1


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Zr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

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: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


species: Pt Y


species: I Ta


species: Al F

species_pp: Al F

crystal_class_orig: ditrigonal-pyramidal


species: Cu Li


crystal_class_orig: tetrahedral


species: Ti W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: C W


species: Ge Te

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: Os Sc


species: Co Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Se Zn

species_pp: Se Zn


species: Ca Co


species: Co W


species: Ca O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Mg


species: Ni Rh


species: F N

species_pp: F N

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Co Fe

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cu Zn


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Mo

sg:
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: Mn W


species: Mn Zn


species: Ni Ti


species: Ti Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Mn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Mo


species: Co Ni


species: Co W

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr Ti


species: Cr V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cu Ni

crystal_class_orig: tetragonal-dipyramidal


species: Fe Ni


species: Fe Ti


species: Mn Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo W


species: Ni Zn


species: W Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg In


species: Hg K


species: Hg Mg


species: Hg Rb


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cs Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li Nb


species: Li Ta


species: Mg Ta


species: Ca Cl

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Cl Li

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cl Rb

crystal_class_orig: orthorhombic-bipyramidal


species: F Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: b b


species: O Sm

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a b f f

Wyckoff_letters: e f f

Wyckoff_letters: a b f f


species: Dy Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe Sm


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ce Tb


species: F Ta

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: Ni Ti


species: Fe Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Eu Nd

species_pp: Eu Nd


species: Co Er


species: Co Nd

species_pp: Co Nd

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Dy


species: Dy V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ho Ti


species: Ho Zn


species: Pm V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ta W


species: Tb Ti


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Os

crystal_class_orig: hexoctahedral


species: Mn Os


species: Mo Ru


species: Nd Pm

species_pp: Nd Pm

crystal_class_orig: dihexagonal-dipyramidal


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: monoclinic-prismatic


species: Co Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Hg


species: Hg Ni


species: Re Ti

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Ir Zr


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Ru

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


species: Pd Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I Pr

species_pp: I Pr


species: Er Fe

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Mn


species: I Mn

Wyckoff_letters_orig: b a


species: Mo Ta


species: Sc Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Eu Zn

species_pp: Eu Zn


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I


species: I K


species: I Li

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a b c c c c

Wyckoff_letters: c c


species: I Mg


crystal_class_orig: diploidal


species: I Ni

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag I

species_pp: Ag I


species: I In


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ba I

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cd Cr


species: Ni Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Re Y

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ta Zn


species: Cu I

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: I Zn

species_pp: I Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ga I

Wyckoff_letters_orig: b c


species: I Sr


species: Cs I


species: Cd La

species_pp: Cd La


species: Co Hg

species_pp: Co Hg


species: N Zr


species: Al Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Y


species: Fe Ir


species: Tc W


species: Cu Hf


species: Fe Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Os Ti


species: Ag O

species_pp: Ag O


species: Ag Y


species: Hg Nb


species: Co Ru


species: Re Tc


species: Fe Tc

Wyckoff_letters_orig: a h


species: V Zr


species: Nb Zr


species: Ta Zr


species: Ti Zr


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb Ti

Wyckoff_letters_orig: c i


species: Nb W


Wyckoff_letters_orig: c c


Wyckoff_letters: b c


species: Fe Re


species: Pd S


species: Mn Zr


species: Os V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ta W


species: Hf Ir


species: Au Cd

species_pp: Au Cd

Wyckoff_letters: c i


species: Au Re

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Pt

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Sc W


species: O V

Wyckoff_letters: c c


species: Au Zr


species: Cu O


species: Ca K


species: Pb Se

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: I Ti

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: g h n

Wyckoff_letters: a l


species: I V


species: Co Mn

Wyckoff_letters: c d e


species: Ca Mg


species: Co V


species: Cd Co

species_pp: Cd Co


species: Nb Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a


species: Er Ga

Wyckoff_letters_orig: g m

Wyckoff_letters: g m


species: Ir Ta


species: I Tc


species: Ag Cu


species: Mn O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Co O

species_pp: Co O


species: Pb Te

sg2:
Ibam #72
Ibam #72
I4/mmm #139

Wyckoff_letters_orig: j j


species: Cr N


species: Ir Re


species: O V


species: I Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd Sr

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: La V


species: I Ta

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: F Mn

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: O Tb


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Co F

species_pp: Co F

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


species: Ca Cu


species: Ga Y


species: Ca Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Ti


species: O Pb

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: N Zr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: c d i i i i i i i

Wyckoff_letters_orig: b i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b d i i i i i i i

Wyckoff_letters: c i i i i i i i


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: d f

Wyckoff_letters: c e

Wyckoff_letters: d f


species: Cd N

species_pp: Cd N

crystal_class: hexoctahedral


species: Co O

crystal_class: ditetragonal-dipyramidal


species: Cr O

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: W Zr

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: Fe Mg


species: Re Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ir Y


species: O Ta

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: O Y

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i


species: Cu O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co K

crystal_class: dihexagonal-dipyramidal


species: F Sr

Wyckoff_letters_orig: a b


species: W Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca V


species: F Ti

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


Wyckoff_letters_orig: c g


species: K O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Al Cl

species_pp: Al Cl

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Li Tc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Ti


species: Ir Pd


species: Ca Fe

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Ru


species: Hg Mn


species: Fe V

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Li Ni

crystal_class_orig: ditrigonal-dipyramidal


species: Ti V


species: Mo Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni Sc


crystal_class_orig: tetrahedral


species: O Ru

Wyckoff_letters_orig: c c


species: Cr Mn


crystal_class_orig: dihexagonal-pyramidal


species: Ca Cr

crystal_class_orig: hexoctahedral


species: Cu Li


species: O W

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


crystal_class_orig: dihexagonal-dipyramidal


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Cd Cs


species: C Os


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: Fe W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Tc


species: Co Hf


species: O Pd

crystal_class_orig: monoclinic-domatic


species: Ni Ru


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b


species: Cd Zr


species: Li Ti


species: Cr Re

Wyckoff_letters: c c


species: Bi O


species: Au Tb


species: Fe O

Wyckoff_letters_orig: a a


species: I Ti

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: O Pt

species_pp: O Pt


species: O Yb

species_pp: O Yb

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: C Ru


species: Cd Rh

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: Ce Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Fe Sc


Wyckoff_letters_orig: a b f f

Wyckoff_letters: a b f f


species: Mn O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


species: Mn Sc


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Fe Mg

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ca Cr


crystal_class_orig: tetragonal-trapezoidal


Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: I Mn


species: O W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O

Wyckoff_letters_orig: c f


species: Ca Li


species: O Tl


species: F Mg


species: Ca Fe


species: Cr Mg


Wyckoff_letters: a c

Wyckoff_letters: c f


species: Fe O


species: O Si

Wyckoff_letters_orig: g i k k l l l l l l l l l l l l

Wyckoff_letters_orig: e f l l l l l l

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: g i k k l l l l l l l l l l l l

Wyckoff_letters: e f l l l l l l


crystal_class_orig: diploidal

crystal_class: diploidal


species: Cd Os


species: Au Pt

species_pp: Au Pt

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Li Mn


species: O Sc


crystal_class: tetrahedral


species: Ni Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ta

Wyckoff_letters_orig: a e e f h

Wyckoff_letters_orig: g h

Wyckoff_letters: a e e f h

Wyckoff_letters: g h


species: As Zn

species_pp: As Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ta Y

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Mn


species: Co Zn

species_pp: Co Zn


species: Pb Rb


species: Mg Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mo


species: Fe Ti


species: Co Cr

Wyckoff_letters: a h


species: Co V

crystal_class: dihexagonal-pyramidal


species: Cr Cu

Wyckoff_letters_orig: a c


species: Cr Fe

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: a d


species: Fe Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Ni


species: Mo V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Zn


species: Ni Ti


sg2:
Pmmn #59
Pmmn #59
P4/nmm #129


species: W Zn


Wyckoff_letters: a c


species: Co Mn


species: Co W


species: Cr Ni


species: Cr V


species: Cu Fe

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Cu Mn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Ni


species: Cu V

Wyckoff_letters_orig: a h


species: Cu W


species: Cu Zn


species: Fe Ti


species: Fe V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mn W


aflow_prototype_params_list_orig: a b/a c/a beta y1 y2


species: Mn Zn


species: Mo Ti


species: Ti V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ti W


species: F Nb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Hg Ho


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hg Mg


Wyckoff_letters: c e d


species: Hg Rb

Wyckoff_letters: a d


species: Hg Te

species_pp: Hg Te


species: Ca Nb


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cs Nb


species: Cs Rb


species: Li Nb

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mg Rb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca Cl

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

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

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


species: O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: monoclinic-prismatic

Wyckoff_letters: d a i


species: Hg Li

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: orthorhombic-bipyramidal


Wyckoff_letters_orig: g g

Wyckoff_letters_orig: e f


species: Dy Eu


species: Dy Pr


species: Sm Tb


species: Co Eu

species_pp: Co Eu

Wyckoff_letters_orig: a c


species: Pm Ti


species: F Nb

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f

Wyckoff_letters: e f


species: Ce Pm

species_pp: Ce Pm


species: Co Pm

species_pp: Co Pm


species: Dy Pm


species: Er Sm


species: Er Ti


species: Eu V


species: Nd Pm

species_pp: Nd Pm


species: Ti Yb


species: Hg I

species_pp: Hg I


species: I Si

species_pp: I Si

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Fe


species: Mo Ru

Wyckoff_letters_orig: a d


species: Cu Re

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Pm


species: Ni Re


species: Pd Pt


species: Co Nb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Hg Mn


species: Hg Ta


species: Mn Ru


species: Pt Zn

species_pp: Pt Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Sm


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Re Sc


species: Ru Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Zn

species_pp: Hg Zn


species: Cr Rh

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ni Zr


species: Ca I


species: Cr I

Wyckoff_letters_orig: e e


species: I K

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: I Li

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I Mg

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Sb

species_pp: I Sb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ba I


species: Hg I

Wyckoff_letters_orig: b a


species: I Pb

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f f f


species: Co Re

crystal_class_orig: tetrahedral


species: Nb Zr

crystal_class_orig: ditrigonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: Al I

species_pp: Al I

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Ni


species: Cl Nb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: La Re

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Au Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Hf


species: Os Pt

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Ni

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: Hg Ta

crystal_class: ditetragonal-dipyramidal


species: Bi Cs

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Pd

crystal_class_orig: dihexagonal-dipyramidal


species: Ta W

crystal_class_orig: ditrigonal-scalahedral


species: Hf Pd


species: Pd Rh

crystal_class_orig: ditetragonal-dipyramidal


species: Os Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i


species: Ta V


species: Mo Ta


Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e j


species: W Zr


species: As O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Hf Nb

crystal_class: ditrigonal-scalahedral


species: Hf W


species: Hg Ir

species_pp: Hg Ir


species: La Zr


species: Nb Ti

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Sc Ta

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg W


species: Cr Nd


species: Hg La

species_pp: Hg La


species: Mo Re


species: Au Y


species: Fe Se


species: Co Tb


species: Ce Pr

species_pp: Ce Pr


species: I Ta

Wyckoff_letters_orig: a a a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a b


species: O Ti


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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Cs Pb


species: O Rh

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Sc Zn

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

sg2:
Pnnm #58
Immm #71
I4/mmm #139


species: Ca Tc


species: Fe O

Wyckoff_letters_orig: a i i i i i i

Wyckoff_letters_orig: c i i i i i i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m m m

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

Wyckoff_letters: a i i i i i i

Wyckoff_letters: c i i i i i i i i i

Wyckoff_site_symmetries: 2/m m m m m m m

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


species: Cr Zr


species: F Ti


species: Bi O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c c


species: F Ga


species: As Cr

crystal_class_orig: dihexagonal-pyramidal


species: Li V

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Ca F

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Nb


species: Br Hf


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: Ge Te


species: Fe Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Li


species: O Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Hf O

Wyckoff_letters_orig: n m


species: O W


species: I Mg


species: Nb Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: La Ti


species: Si W


species: Mg O

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: O V

crystal_class: ditrigonal-dipyramidal


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e d


species: Mn Ti


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Mn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Cd Nb


species: Au Os


species: H O

species_pp: H O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Fe K


species: I Nb


species: O Zn

species_pp: O Zn


species: O Zr


species: Li Mg

Wyckoff_letters_orig: c i

Wyckoff_letters: c i


species: Cu O


species: Bi Cs


species: Li Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Cd F

species_pp: Cd F


species: Bi Ti


species: Mn Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ge O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Dy Ni

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: O W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Sc W


species: Hf Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Zr

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Hf

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca K


species: Hf V


species: Ca Cl

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: Mo Re


species: Fe K


species: Nb Re


species: Au Ti

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Cr Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu O

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Li Zn


species: F V


species: O Tc


species: Cu Mg


species: Mg Se

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: Cd O

species_pp: Cd O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Sc Zn


species: Mg S

crystal_class_orig: hexoctahedral


species: Li S


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: dihexagonal-dipyramidal


species: Ca Ni


species: O V


Wyckoff_letters_orig: h g

Wyckoff_letters: h g


species: Ta Y


species: F Ni


species: Fe W

crystal_class_orig: ditrigonal-scalahedral


species: Cr O

sg:
Cmce #64
Pmma #51
Cmmm #65

sg2:
Cmce #64
Cmce #64
Pmma #51


species: Al Mo

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: O Ti


species: O Zr

sg:
Pnma #62
Pnma #62
Cmcm #63


sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Sn

species_pp: O Sn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f


species: Li Mn


species: Cr Ti


species: Cu Mg

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ti V


crystal_class_orig: triclinic-pedial

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

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: g j g


species: Pt Re


species: Li Mo

crystal_class_orig: ditetragonal-dipyramidal


species: Bi O


species: Ca V


species: La Rh


Wyckoff_letters_orig: c c


species: Cu Ru


species: Mg O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Cd Pd


species: F Ti

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: b b c c c c

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

Wyckoff_letters: b b c c c c


species: Hf Re

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Rh

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ca O


species: Sn Yb

species_pp: Sn Yb


species: Cr O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Li Tc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cr Zr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: F V

Wyckoff_letters_orig: a b

Wyckoff_letters: c c

Wyckoff_letters: a b


species: Li Mg


species: O Sn

sg:
Ibam #72
Ibam #72
I4/mcm #140


species: Nb Zn


species: Mn Nb


species: F Sr


species: O W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca V


species: O Sr

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Mg O


species: Cd Cs

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Mn


species: Ca Cu


species: Co F

species_pp: Co F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Er H


species: I Ni


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu S


species: Cu K

crystal_class: ditetragonal-dipyramidal


species: Mn Tc


species: I V


species: I Ti

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Cd V

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal


species: Bi Br

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Co K

crystal_class: hexoctahedral


species: O Tc


species: Fe Li


species: O Sc

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: I Mg


species: Dy Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: As Ru


species: F Hf

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Li Ti


species: Al Li


species: La V


species: Ca Zn

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: F Mn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ba Hg

Wyckoff_letters_orig: a g i j

Wyckoff_letters: a g i j


species: I Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Rb


species: Cu Mn

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c c c


species: Mn Ni


species: Mn V

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co V

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Fe

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mo Ni


species: Mo Zn


species: Ni Ti


species: Co W


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr Cu

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Mo


species: Cr Ni


species: Fe Mo


Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mn Zn


species: W Zn


species: Cl Mg


species: O Pb

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Hg Ho


species: Hg K


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Hg Yb

species_pp: Hg Yb


species: Cl Nb

crystal_class_orig: diploidal


species: Ca Nb


species: Ca Ta


species: Rb Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cs Nb


species: Mg Ta


species: Hg Li


Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c


species: Ce O

species_pp: Ce O


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cr Sm

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Dy Pr


species: Co Er


species: Dy Zn


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Er Ti


species: Cl Cs


species: Cl Ta

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: F Pb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Dy Er


species: Dy V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ce Dy

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn Tb


species: Nd Yb

species_pp: Nd Yb


species: Ni Pr


species: Pm Sm


species: Tb Ti


species: Ti Yb


species: Al I

species_pp: Al I

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-pyramidal


species: Cd Cr


species: Ni Tc


species: Rh Sc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Rh Y

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ta V


species: W Zr


species: Fe Ta

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Co Pd

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu Rh

crystal_class_orig: hexoctahedral


species: Au La

species_pp: Au La


species: Hf V


species: La Mo

crystal_class_orig: dihexagonal-dipyramidal


species: Ag Ni

Wyckoff_letters: c d e


species: La Os


species: Ag Cd

species_pp: Ag Cd


species: Ce Pr

species_pp: Ce Pr


species: Pd W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Rh V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca I

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Cr I


species: I K

crystal_class_orig: ditrigonal-scalahedral


sg2:
Cmce #64
Cmce #64
P4/nmm #129


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: I Mg

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e

Wyckoff_letters: c d


species: I Ni


species: I Sn

species_pp: I Sn


species: Ba I

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


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: Nb Rh

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Os Pt


species: Cu I

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Os


species: Os Y


species: Bi Cs


species: Hf Rh

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Ni Re

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hf Ti

Wyckoff_letters_orig: c d e


species: Ir Tc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hf Nb

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mn Re


species: W Y

Wyckoff_letters_orig: a c


species: Au Os

crystal_class: diploidal


species: Cd Zr


species: Nb Ti


species: Ta W


Wyckoff_letters: c e d


species: Mo Nb


species: Nb V


species: Ta Ti


species: Ti Zr


species: Cd Cu


species: Re Sc

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

Wyckoff_letters_orig: a f


species: Zn Zr

Wyckoff_letters: a c


species: Y Zr


species: O Zr

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Co F

Wyckoff_letters_orig: i i i


species: Mg Si

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cu O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: O Ta

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b b b

Wyckoff_letters: a b b b


species: Li Tc


species: N Sc


species: I O

species_pp: I O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: f h

Wyckoff_letters: b c

Wyckoff_letters: f h


species: S Zn

species_pp: S Zn

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

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


species: Mg O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cl O

species_pp: Cl O

Wyckoff_letters_orig: b e g

Wyckoff_letters: b e g


species: Ni Sc


species: Li O


species: Mn Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g g g

Wyckoff_letters: e f g g g


species: Ca Cu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ni


species: Rh Sc

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co F

species_pp: Co F


species: Ni Rh


species: Pb S


species: K Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti Zn

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Cd Zr


species: Mn O


species: F Mn


species: Fe O

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I V

crystal_class_orig: orthorhombic-bipyramidal


species: Fe K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr


species: Nb W


species: K Li


species: Cr F


species: O Tc


species: I Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Te

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Ni Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i


species: Pb Se


species: I Mg


species: O Zn

species_pp: O Zn


species: Cr O

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal


species: Co Nb

crystal_class: orthorhombic-bipyramidal


species: Ca Li

crystal_class: hexoctahedral


species: Co Li

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ge Te


species: Ca O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Cd Rh


species: Ir O

species_pp: Ir O

crystal_class_orig: tetragonal-trapezoidal


species: Ca Cl


species: O Ti

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Hg O

species_pp: Hg O


species: F Pb

Wyckoff_letters_orig: e j

Wyckoff_letters: i o


species: Cr Ti


species: Cr Sc


species: La O

species_pp: La O

Wyckoff_letters: i i i


species: Sn Te

species_pp: Sn Te


species: Fe O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: F Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Pd Pr


species: Mn O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg Pd


species: Ge Se


species: Mn Ni

crystal_class_orig: dihexagonal-pyramidal


species: Fe I

crystal_class: triclinic-pinacoidal


species: Co Se

species_pp: Co Se

crystal_class: dihexagonal-dipyramidal


species: Cr O

crystal_class: dihexagonal-pyramidal


species: F Fe


species: Li Tc


Wyckoff_letters_orig: d g


species: O Ru

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: Mo Ni

crystal_class: tetragonal-dipyramidal


species: O Y

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Ir O


species: K O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b e m

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


species: Li O

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Sn


species: Co Fe


species: P Th


species: La Rh


species: I Tc

Wyckoff_letters_orig: a d g h


species: Ca Ni

Wyckoff_letters_orig: c i

Wyckoff_letters: b c


species: Pb Se


species: Nb O

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: O W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a f h


species: O Tc

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


crystal_class_orig: dihexagonal-dipyramidal


species: Ge S


species: La Zn

species_pp: La Zn


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f


species: Hg Pt

species_pp: Hg Pt


species: O Pb

crystal_class_orig: tetrahedral


species: Cu Li

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Mn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Li Mg


species: Li Zn

crystal_class_orig: ditetragonal-dipyramidal


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Bi Cl

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cu Mg

crystal_class_orig: diploidal

crystal_class: diploidal


species: Bi Cs

crystal_class_orig: hexoctahedral


species: Cu K

crystal_class: tetrahedral


crystal_class_orig: trigonal-trapezoidal


species: I Ti

crystal_class: trigonal-trapezoidal


species: Sn Te


species: O Sn

crystal_class_orig: orthorhombic-bipyramidal


species: Mg O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Ir O


species: F V

Wyckoff_letters_orig: d e g

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e g


species: Sc Ti


species: Li O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Si Ta

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c l

Wyckoff_letters: a h

Wyckoff_letters: c l


species: Co Mg

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: V W

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mo Pt


crystal_class: hexoctahedral


species: Ge O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Ni O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

Wyckoff_letters: b c

Wyckoff_letters: c c


species: Ca O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Zr

crystal_class_orig: rhombohedral


species: I Mg


species: Bi O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Mo Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: c c c

Wyckoff_letters: a a b b


species: Te Tl

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a b g

Wyckoff_letters_orig: e g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: b a g

Wyckoff_letters: e g g


species: Ca Ti


species: Mn O

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Cd O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: K Pb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Li Pb


species: B F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pb Rb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Fe

sg:
Pmma #51
Pmma #51
Pmma #51


species: Co Mn

crystal_class: dihexagonal-dipyramidal


species: Cu Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe Mo


species: Fe Zn


species: Mo Ni


species: Mo V


species: Ni Ti


species: Ti Zn


species: V W


species: W Zn


species: Co Ni


species: Cr Mo


species: Cu Mn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu V


species: Cu W


species: Fe Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mn Mo


species: Mn W


species: Ni V


species: Ti W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Se

species_pp: Hg Se


species: Hg Rb


species: Hg S

species_pp: Hg S


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Rb


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: Nb Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rb Ta


species: Hg Ho


species: Hg Li


species: Cl Rb


species: Gd Mn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Er Pr


species: Ni Tb


species: Ce Eu

species_pp: Ce Eu


species: Co Dy


species: Co Pr

species_pp: Co Pr


species: Cr Ho


species: Cr Tb


species: Cr Yb


species: Cu Er


species: Cu Ho


species: Cu Tb


species: Er Fe


species: Eu V


species: Ho Nd


species: Ho Yb


species: Mn Tb


species: Ni Sm


species: Tb Zn


species: Cd I

species_pp: Cd I


species: I In


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co I

species_pp: Co I


species: I Rb


species: Au Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ir Ti


species: Mo Zr

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Cd Co

species_pp: Cd Co


species: Eu Ni


species: Tc Ti


species: Ir Mn


species: Ta Zr

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Fe Nb

crystal_class_orig: dihexagonal-pyramidal


species: Hg Mn


species: Ta Ti


species: Co Hg

species_pp: Co Hg


species: Re V


species: Mg O

sg2:
Immm #71
Immm #71
Immm #71


species: Sc Y

sg:
Immm #71
Immm #71
Immm #71


species: Co I


species: Fe I

sg:
Cmce #64
Pmma #51
Pmma #51

sg2:
Cmce #64
Pmma #51
Pmma #51


species: I Li


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


crystal_class_orig: tetragonal-dipyramidal


species: Be I


species: Cd I

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I In

crystal_class: rhombohedral


species: I Sn

species_pp: I Sn

crystal_class_orig: ditrigonal-pyramidal

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


sg:
Pnma #62
Pnma #62
Pnma #62


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Hg I

species_pp: Hg I


species: Cd Ti

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ir Pd


species: Nb Tc


species: Cu I

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Zn

species_pp: I Zn


species: Hf Ru

Wyckoff_letters_orig: a e


species: Ag Nb


species: Ir Zr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mo Y

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Co Hf


species: Re Rh


species: Re Zr

crystal_class_orig: ditetragonal-dipyramidal


species: W Y

crystal_class: tetragonal-dipyramidal


species: Ru V


species: Sc Y

crystal_class: orthorhombic-pyramidal


species: Cd Mn


species: Cu Rh


species: Mo Zr

Wyckoff_letters_orig: b f


species: Rh V


species: Y Zr


species: Ce V


species: Mg Sb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Ta


species: Nb Zr


species: Ag Ru

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: K O

crystal_class_orig: monoclinic-prismatic

crystal_class: monoclinic-prismatic


species: Mn Ta


Wyckoff_letters: a f


species: Ir Re

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Eu Nd

species_pp: Eu Nd


species: Ag Cd

species_pp: Ag Cd


species: Co Eu

species_pp: Co Eu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Nb Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co K


species: O Pd


species: O Sr


species: Sc Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Er O

crystal_class_orig: diploidal

crystal_class: diploidal


species: Al W


species: Cu Mg


species: I Ti

Wyckoff_letters_orig: a b c

crystal_class: tetrahedral

Wyckoff_letters: a b c


species: F Mg

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Co Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Ru

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cu O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Ir Si

species_pp: Ir Si

Wyckoff_letters_orig: e e e e f g h i i

Wyckoff_letters: e e e e f g h i i


species: Fe Nb

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

crystal_class: ditetragonal-dipyramidal


species: Nd Si

species_pp: Nd Si


species: C Li

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Eu O

species_pp: Eu O

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

crystal_class: orthorhombic-bipyramidal


species: Cd Nb


sg:
Pnma #62
Pnma #62
Imma #74


species: O V

Wyckoff_letters_orig: a d

crystal_class: hexoctahedral

Wyckoff_letters: a d


species: Cr Mg


species: Pt Tl


species: Li Zn


species: Pd W


species: Co La

species_pp: Co La


species: B Ir


species: Ru Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mg O


species: Pb S


species: Co O

species_pp: Co O

Wyckoff_letters_orig: g e n

Wyckoff_letters_orig: h f n

Wyckoff_letters: g e n

Wyckoff_letters: h f n


species: Pb Se

crystal_class: dihexagonal-pyramidal


species: O Ru

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: Cl Sc

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: Au Ni

crystal_class: dihexagonal-dipyramidal


species: F Fe

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: Sc V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Cr


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: K O


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e e


species: Re V


species: Fe Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pd


species: Li Tc


species: Ca Co

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: S Zn

species_pp: S Zn


species: Cr O

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: Ag Sc


species: Co Cr


species: Mg Ni

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: f j

Wyckoff_letters_orig: a c

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: f j

Wyckoff_letters: a c


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Cu K


species: Cd Rh


species: Ir Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I V


species: Fe V

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ta Tc

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr N


species: Se Sn

Wyckoff_letters_orig: a a


species: O Sc

Wyckoff_letters_orig: c c


species: Cd O

species_pp: Cd O


species: Gd Pd

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Au Pd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cr Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pd Ru


species: Cs Se


species: S Sn

species_pp: S Sn


species: Nb Rh


species: Ni Se

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i

Wyckoff_letters: a i

Wyckoff_letters: i i


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Bi Ti

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ca Co


species: Se Zn

species_pp: Se Zn


species: Cr Zn


species: Ge Zr

Wyckoff_letters: c c


species: Li Mg

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c


species: F Ti

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: Sc Zr


species: Ge Ir

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: Mg Ni

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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: C Ru


species: Ag Os


species: Ca Cu

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Li Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mg Se


species: Fe Mg


species: Cr O

Wyckoff_letters: c b


species: Hf Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Mg O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Eu S

species_pp: Eu S


species: Ag Zn

species_pp: Ag Zn


species: Ca Zn


species: Li O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Sc W


species: Mn Y


species: Fe O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Fe Li

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: Ca Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Rh


species: As Fe

crystal_class_orig: orthorhombic-pyramidal


species: Cu K

sg2:
Pnma #62
Pnma #62
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: O W


species: Cd Hf


species: K O

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: Nb Rh


species: Ca O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: I La

species_pp: I La

aflow_prototype_params_list_relax: a c/a z2


species: Co Zn

species_pp: Co Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

Wyckoff_letters: c g

aflow_prototype_params_list_relax: a c/a


species: Ir V

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: a b j

Wyckoff_site_symmetries_orig: mmm mmm m2m

Wyckoff_letters: e h

Wyckoff_letters: a b j

Wyckoff_site_symmetries: mmm mmm m2m


species: Ti Zn


species: Nd O

species_pp: Nd O

crystal_class: ditrigonal-scalahedral


species: Cr V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cd O


species: O Sn


species: Co Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Li

crystal_class_orig: ditrigonal-scalahedral

aflow_prototype_params_list_relax: a c/a x2


species: Li O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Y Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: b c


species: Ta V

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sc

Wyckoff_letters_orig: a d g h

Wyckoff_letters: a d g h


species: Cr F

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a c b

Wyckoff_letters_orig: d d


species: Cr Mn


species: O Rh

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


species: O Zr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Fe

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Ge Te

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Ca Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: b c


species: O Si

species_pp: O Si

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a


species: K Pb

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


crystal_class_orig: hexoctahedral


species: Cs O


crystal_class_orig: orthorhombic-bipyramidal


species: F Ru

crystal_class_orig: monoclinic-prismatic

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

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

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

Wyckoff_letters: e e


species: Co Cr


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Cu

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Co Mn


species: Co W

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Mo


species: Cu W

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe V


species: Mo Zn


species: Ni W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ti W


species: V W


species: Co Ni

Wyckoff_letters: a c


species: Cr Cu


species: Cr V


species: Cr W

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cu Fe

Wyckoff_letters_orig: a d


species: Fe Mn


species: Fe W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Mn Mo

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Ni


Wyckoff_letters: a d


species: Ni Zn


species: Ti Zn


species: F Pb


species: Cl Mg

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: Hg Li


species: Hg Mg

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg Se

species_pp: Hg Se


species: K Rb


species: Li Nb


species: Mg Ta


species: Nb Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pb Ta


species: Cl Nb

crystal_class: diploidal


species: F Nb

sg2:
Pmmn #59
Pmmn #59
Pmmn #59