species: K Mg

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ag Nb

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

lattice_system_orig: cubic

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


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 d

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 d


species: Bi O

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e


species: F Ti

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Wyckoff_letters_orig: f j

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET

Wyckoff_letters: f j


species: O Ti

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Fe Ta

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Nb O

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Li Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Cr Mg

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b d

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b d


species: O Zn

species_pp: O Zn

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_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

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_class: trigonal-trapezoidal

point_group_type: enantiomorphic

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: Co Nb

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

crystal_class: diploidal

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: Li Mg

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Rh


species: Ca Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ir V

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Os Ti


species: Co F

species_pp: Co F

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

point_group_type: polar

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: a a a

Wyckoff_letters: a a a a a a

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m m m m m


species: Li Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh Ru

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: O Sn

species_pp: O Sn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni W


species: Bi Ti


species: I Tc


species: Cr K


species: Ga Rh

sg:
Ccce #68
Ccce #68
Ccce #68

sg2:
Ccce #68
Ccce #68
Ccce #68

Wyckoff_letters_orig: e e i i i

Wyckoff_letters_orig: a e

Wyckoff_letters: e e i i i

Wyckoff_letters: a e


species: Cd Tc


species: I K

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_site_symmetries_orig: m m

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: m n

Wyckoff_letters: b c

Wyckoff_site_symmetries: m m


species: I V

aflow_prototype_params_list_orig: a c/a x2


species: O Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b a b

Wyckoff_letters: b b


species: Mo Pt

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr Ti


species: F Sr

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Fe O


species: I Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Li O

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

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 e i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: a e i


species: Ni O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

point_group_structure_orig: symmetric

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

point_group_structure: symmetric

Wyckoff_letters: h i


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Fe Li


species: Li Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Ca O


species: O V

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Sc

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: H N

species_pp: H N

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: O Sc

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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: F Zr

Wyckoff_letters_orig: a c k

aflow_prototype_params_list_relax: a c/a z3


species: F Mn

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Se Ta

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b


species: Li Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd W


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

crystal_class: hexoctahedral

Wyckoff_letters: a c


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: I Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cr F

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Ca Cr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb O

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: I Nd

species_pp: I Nd


species: Tc Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Li Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cu Pd

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Ti


species: Cd Y


species: Hg Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Hg Mo


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Te Zn

species_pp: Te Zn


species: Ag Rh

Wyckoff_letters_orig: a f

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

Wyckoff_letters: a f


species: Mg O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Cu F

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: I V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Rh Y

Wyckoff_letters: a b


species: Cs Pb


species: S Sn

species_pp: S Sn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr O

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Ni Zr

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i


species: Fe Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Co Li


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: O W


species: Hg N

species_pp: Hg N

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Zr

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

aflow_prototype_params_list_relax: a c/a x2


species: Au V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Nb


Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: c b e m

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Mn O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pb Rb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: O Ta

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: Ca Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: I Th

crystal_class: monoclinic-prismatic


species: Cr Ti

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cr Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Ti


species: Ni W


species: Co Cr


species: Co Cu


species: Co Mo


species: Co Ni

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co V


species: Co W


species: Cr Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Mn


species: Fe Ti


species: Fe V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Mn Zn

Wyckoff_letters_orig: a i

reciprocal_lattice_type: ORCF

Wyckoff_letters: a f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Mo V

Wyckoff_letters: c d e


species: Mo W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Ti


species: Ni V


species: V W


species: W Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pb


species: Hg In


species: Hg Ho


species: Hg Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Cl

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: F Nb

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


species: Cs K


species: Cs Li

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Li Ta


species: Mg Ta

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pb Ta


species: Rb Ta

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


Wyckoff_letters: a d


species: Cl Mg

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


species: Cl Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Eu O

species_pp: Eu O


species: Gd Ho


species: Eu V


species: Er Tb


species: Cl Pb

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


species: Cs Pb


species: O Pb

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Co Pm

species_pp: Co Pm


species: Ce Zn

species_pp: Ce Zn

Egap_DOS_type: metal


species: Cr Ho


species: Cu Sm


species: Mn Tb


species: Ni Tb


species: Sm Yb


species: Cd I

species_pp: Cd I

Egap_DOS_type: insulator

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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


species: I Ni


species: Hg I

species_pp: Hg I


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Au Tc

crystal_class_orig: tetrahedral


species: Pt Tc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ta Tc


species: Ag Zn

species_pp: Ag Zn


species: Ag Co

species_pp: Ag Co


species: Au Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Rh

Wyckoff_letters_orig: a d


species: Nb Zn


species: Au La

species_pp: Au La

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Re Zn

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Zr


species: Ir Y

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Re Y


species: Cu Ta


species: Nb Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ta V


species: Co Os


species: Nb Re


species: O V

Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Ag Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Tc Y


species: Ca I


species: Cr I

Egap_DOS_type: half-metal

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: a h i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Fe I

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: I K

Wyckoff_letters_orig: b e

Wyckoff_letters: b e

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: I Li

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: g g

Wyckoff_letters: a g


species: I Mg


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ag I

species_pp: Ag I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ba I


species: Hg I


species: Cd Rh


species: Ir Tc


species: Cu I

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cs I


species: Ag Au

species_pp: Ag Au


species: Cd W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr Pt

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Zr

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Pt Y

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Re V


species: Cr I

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters_orig: m n

Wyckoff_letters: g g g


species: Mn Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Os Tc


species: Ag Rh


species: Cd Mo


species: Os Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca Sb

Wyckoff_letters_orig: c c c d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c c d

Wyckoff_letters: c d


species: Cd Ru

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu Y


species: Ni Pm


species: Mg Se


species: Os Zr


species: Hf Ta


species: Hf Ti


species: Ti Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb Zr


species: Ta V


species: Au Hf


species: Cd Gd

species_pp: Cd Gd


species: Co Zr


species: Nb Ru


species: Ag Fe


species: Au Ti


species: Ag Au

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Dy Sm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Dy

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Hg

species_pp: Co Hg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Rh V


species: Sn Ti


species: I Ti


species: F Ni


species: Ca K


species: O Zr

Wyckoff_letters_orig: a a

Wyckoff_letters: b a

Wyckoff_letters: a b


species: As Ba

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a


species: Ca Ti

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

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


species: H Zr

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: a f

Wyckoff_letters: e g

Wyckoff_letters: a f


species: N Pt

species_pp: N Pt


species: Fe Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca Ge

Wyckoff_letters_orig: c d d d

Wyckoff_letters: c d d d


species: Pt Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ca Cl


species: Br In

Wyckoff_letters_orig: c h h

Wyckoff_letters_orig: a b c c c

Wyckoff_site_symmetries_orig: 3m .m .m

Wyckoff_letters: c h h

Wyckoff_letters: a b c c c

Wyckoff_site_symmetries: 3m .m .m


species: Bi Ti


species: B W

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a


species: O Tc

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a b e

crystal_class: tetrahedral

Wyckoff_letters: e e

Wyckoff_letters: a b e


species: Cd Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Ru

crystal_class_orig: hexoctahedral


species: Cd V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Ag Au


species: Sc Ti


species: O Sr

Wyckoff_letters_orig: a a b b b

Wyckoff_letters: a a b b b


species: Au Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: f h i

Wyckoff_letters: f h i


species: O Re


species: Nd Os


species: Ca Fe


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Pb Te

crystal_class_orig: dihexagonal-pyramidal


species: O Zr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Al Mo

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

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

Wyckoff_letters: i i i i i i

Wyckoff_letters: i i


species: Os Zn


species: Cr K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


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

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Li Ni


species: Ca V


species: Ag O

species_pp: Ag O


species: Li Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ba H


species: Ba Sn


Wyckoff_letters_orig: d d

Wyckoff_letters_orig: c d

Wyckoff_letters: d d

Wyckoff_letters: c d


species: B Mn

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e f

Wyckoff_letters: e f

Wyckoff_letters: a f


species: Cr F

sg:
Pnma #62
Imma #74
Imma #74

Wyckoff_letters: e g


species: Mn O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c

Wyckoff_letters: a b c c c


species: Ca Cu

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu N

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: N W


species: O Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c e

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c e


species: Ta W


species: O V

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: O Tb

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: i i


species: Co Li


species: Cu Sc

crystal_class_orig: ditetragonal-dipyramidal


species: F Fe

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Ca Mn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: O W

Wyckoff_letters_orig: a e e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e e


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Se Sn

species_pp: Se Sn

sg2:
Cc #9
Cm #8
Cm #8


species: Cd Fe

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: I Ti


species: Nb Rh


species: Se Ta

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

Wyckoff_letters_orig: a i i i i i i

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

Wyckoff_letters: a i i i i i i


species: Bi La


species: Ni O

Wyckoff_letters_orig: i i i i


species: Pr Sb

species_pp: Pr Sb


species: Ca Co

crystal_class: ditetragonal-dipyramidal


species: Br Zn

species_pp: Br Zn


species: Cr Sb


species: I V


species: Ca Si

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Mn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: O V

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


Wyckoff_letters_orig: c c e f h h h

Wyckoff_letters_orig: f f h

Wyckoff_letters: c c e f h h h

Wyckoff_letters: f f h


species: O Sr

Wyckoff_letters_orig: a b c

crystal_class: hexoctahedral


species: In K

Wyckoff_letters_orig: g i i i

Wyckoff_site_symmetries_orig: 2 m m m

Wyckoff_letters: g i i i

Wyckoff_site_symmetries: 2 m m m


Wyckoff_letters_orig: i i


species: C Si

species_pp: C Si

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


species: Ir W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f


species: Mn O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x6


species: Li O

crystal_class: ditrigonal-scalahedral


species: Li V

crystal_class_orig: diploidal


species: Au Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: C Tc


species: Mo N


species: Mn W

Wyckoff_letters: a d


species: Nb O


species: Pd Ta


species: Cu K


species: I Ti

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: I Nb

Wyckoff_letters_orig: a i i i j j

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i j j

Wyckoff_letters: c i


species: Rh Zr


species: Bi O


species: O W


Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O Ti

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: g h

Wyckoff_letters: g j

Wyckoff_letters: g h


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m

Wyckoff_letters: m n


species: Se Sn

Wyckoff_letters_orig: c c


species: Cu Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: I Tc

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Li V


species: Cd O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


species: Fe W


species: Co Sc

crystal_class: dihexagonal-dipyramidal


species: Co Mg


species: Cr F


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b a a a a

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

Wyckoff_letters: b a a a a

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


species: O Sc

Wyckoff_letters_orig: a b c


species: Hf Zn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ca F

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mg Te

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: O V

crystal_class_orig: tetrahedral

Wyckoff_letters: a b c


species: I Nb


species: F V


species: Os Rh


species: Co Hf

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Os


species: Hf O

Wyckoff_letters_orig: e e


species: V Zr


species: Os Ta


species: Si V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: a h

Wyckoff_letters: b k


species: Pb Te


species: I Mn

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c g


species: Cr O

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: Ni O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: K Mg

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mn O

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Sc


species: Co Mg

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


species: Br Zr

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Co O

species_pp: Co 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: O W


species: Hf Pd

crystal_class_orig: hexoctahedral


species: H V


species: Li Pb


species: O Ta

crystal_class_orig: monoclinic-prismatic


species: Mg Nb


species: Pb Rb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Cu


species: Cu Fe


species: Mn Mo


species: Mn Ti

crystal_class: ditrigonal-dipyramidal


species: Cr Mn

crystal_class_orig: orthorhombic-bipyramidal


species: Cr W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Mn


species: Fe Ni


species: Mn Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn V

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Mo Zn


species: Ni Ti

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters: c c


species: Ni W


species: Ti V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ti W


species: Co Mo

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ti

crystal_class: diploidal


species: Co W


species: Cr Cu


Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cr Fe


species: Cr Ni


species: Cu W


Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c


species: Mo W


species: Ni V


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Zn


species: Cl K


species: F Ta


species: F Mg

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a d i


species: Hg Ho


species: Hg Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hg Mo


species: Hg Yb

species_pp: Hg Yb


species: Ca Nb

crystal_class_orig: ditetragonal-dipyramidal


species: Cs K


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Nb


species: Li Ta


species: Mg Rb

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca Cl


species: Hg Li


species: F Pb


species: F Nb


species: Ce O

species_pp: Ce O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Pr

species_pp: O Pr

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b

Wyckoff_letters: b a


species: Cr Dy


species: Cr Pr


species: Er Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Eu Zn

species_pp: Eu Zn


species: Er Mn


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cl Mg


Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Pr Sm


species: Ce Zn

species_pp: Ce Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Er Gd


species: Fe Gd

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ho Ni


species: Mn Pr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ba I

Wyckoff_letters: c c


species: Cd I

species_pp: Cd I


species: I Sr

sg2:
Pbca #61
Pbca #61
Pbca #61


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Cr Sc


species: Hf Os


species: Mn Y


species: Co Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Os Zr

Wyckoff_letters_orig: c c


species: Nb V


species: O V

sg:
Pmna #53
Pmna #53
Pmna #53

sg2:
Pmna #53
Pmna #53
Pmna #53

Wyckoff_letters_orig: a g h

Wyckoff_letters: a g h


species: Pd Re


species: Rh Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Au Nb


species: Cd Cu


species: Co Y


species: Fe La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Pd


species: Ni Pt

crystal_class: tetrahedral


species: Ag W


species: Co Os


species: Cr Pd


species: Cu Pd

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Sm

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mo Pt


species: Cd Fe

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Re


species: La Os

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Mn Y


species: Cd Nb


species: Ni Tc


species: Co I

species_pp: Co I

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


species: Cr I


species: I Mg


species: I Ni


species: Be I

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: Ge I

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


species: I Zr


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a b

Wyckoff_letters: e f


species: Cd I

Wyckoff_letters: a b


crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: I Sn

species_pp: I Sn


species: Hg I

species_pp: Hg I


crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: I Pb


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Cr Ru

Wyckoff_letters_orig: a c


species: Nb Ru

crystal_class: orthorhombic-bipyramidal


species: Cu I

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Zn

species_pp: I Zn

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: Ir Mo


species: La Zn

species_pp: La Zn

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: V Zr

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Co Hf

crystal_class_orig: diploidal


species: Mn Rh

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cd Cu

crystal_class: hexoctahedral


species: Hf Tc

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Pt V

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal


species: Au Nb


species: Fe Zr


species: Cr Ir

Wyckoff_letters: a c


species: Pt W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir W


species: Hf Mo


Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hf Ta


species: Hf V


species: Hf W


species: Mo Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mo Ta


species: Mo Zr

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ta Zr


species: Hf Nb


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters: a h


species: La W


species: Ta W

Wyckoff_letters_orig: a l


species: Ir Y


species: Hf Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Nb

crystal_class_orig: orthorhombic-pyramidal

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

Wyckoff_letters_orig: a a a a a a

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

Wyckoff_letters: a a a a a a


species: Ta V


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Zr


species: Hf Ni


species: Ho Pm


species: La Ti


species: Ru Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ta Y


species: Pd W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: F Ni

crystal_class_orig: monoclinic-prismatic


species: Ho O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Sb

species_pp: Co Sb

crystal_class: diploidal


species: Hf Zr

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca Hg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a g i j

Wyckoff_letters: a g i j


species: K Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


sg2:
Immm #71
Immm #71
Immm #71


species: Pt Y


species: Ca O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: F Ti

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Os

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Li

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Zr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Pt Zn

species_pp: Pt Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Ca Ni


species: Ca Cr


species: Ag Cr


species: Li O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

crystal_class: monoclinic-prismatic


species: Co O

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c d


species: Mn W


species: Cu K


species: I O

species_pp: I O

Wyckoff_letters: a a


species: F Mn


species: Cd Hg

species_pp: Cd Hg


species: Bi O


species: Li Ni


species: La Pd


species: F Ti


species: In K

Wyckoff_letters_orig: e e f f

Wyckoff_letters: e e f f


species: Fe Nb

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: O Pt

species_pp: O Pt

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: O Pd


Wyckoff_letters_orig: d h h

Wyckoff_letters_orig: e h

Wyckoff_letters: d h h

Wyckoff_letters: e h


crystal_class_orig: tetragonal-scalenoidal

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: Co Fe

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Ti

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Nd O

species_pp: Nd O


species: C Ni

crystal_class: orthorhombic-bipyramidal


species: Cr Zr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni O


species: O Zn

species_pp: O Zn


species: Ca Li


species: Mn O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f

Wyckoff_letters: a b f


species: F Mg

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Au Hf


species: Pt Y

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: F Fe

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b


species: O Sr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe Li


species: I Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Co Ti

Wyckoff_letters_orig: a i


species: Cr K


Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: I Mn

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal


species: Rh Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Co O

species_pp: Co O


species: I V


species: Ca Fe


species: Ca Zn

Wyckoff_letters: a f


species: Cr O

crystal_class: tetrahedral


species: Co K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo O

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class: ditrigonal-scalahedral


species: Li P

Wyckoff_letters_orig: a e g

Wyckoff_letters: a e g


species: Ge S


species: F Ti

crystal_class: hexoctahedral


species: Cr Mg

Wyckoff_letters: a c


species: F V


species: Co Ti

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Li Ni

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Fe W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Mg

Wyckoff_letters_orig: c c


species: Bi Ti

crystal_class_orig: tetrahedral


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: e i j

Wyckoff_letters: e i j


species: K O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co O


species: O Zr

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: Cr Re


species: Sc V


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: F Mn

Wyckoff_letters: c c


species: O Pd


species: Ca Mn


species: I Tc


species: I Mn


species: Au Ir

species_pp: Au Ir


species: Cl Fe

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

crystal_class: trigonal-trapezoidal

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Bi Mg

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ir Y


species: B Hf


species: Rh Ti

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


species: Fe Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Ti


species: Ho Si


species: Cd F

species_pp: Cd F


species: O Zr

Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


species: Cr O


species: Ca Ni


species: O Si

species_pp: O Si


species: O Sr

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: La Nb

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: O W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Rh

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e


Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: Ca Tc

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ca Mn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters: a b


species: O V

crystal_class_orig: monoclinic-prismatic


species: Ni O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Co Hg

species_pp: Co Hg

crystal_class_orig: ditetragonal-dipyramidal


species: O Y

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: C Rb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: F Zn

species_pp: F Zn

crystal_class_orig: ditrigonal-scalahedral


species: Li O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Dy O


species: Ca Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Zn


species: K Li


species: Sn Te

species_pp: Sn Te


species: P Ta

crystal_class: ditetragonal-pyramidal


species: Fe Mg


species: Mn O

sg:
Pbcm #57
Pbcm #57
Cmme #67

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Ca Mg

crystal_class_orig: hexoctahedral


species: Fe O

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mn Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: F V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: N S

species_pp: N S


species: C S

species_pp: C S

Wyckoff_letters_orig: c g h

Wyckoff_letters: c g h


species: In P


species: Ge O

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: e i

Wyckoff_letters: c e

Wyckoff_letters: e i


crystal_class_orig: diploidal

crystal_class: diploidal


species: Au S

species_pp: Au S


species: Cr Mo


species: Cu Fe


species: Co Fe


crystal_class_orig: ditrigonal-dipyramidal


species: Cu Ni


species: Cu Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mo W


species: Ni V


species: Co Ni

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cr Mn

crystal_class: ditrigonal-dipyramidal


species: Cr Ni

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Zn

sg2:
Pnma #62
Pnma #62
P4/mbm #127

Wyckoff_letters: c g


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Mn

Wyckoff_letters_orig: c g


species: Cu V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe V


species: Fe W


species: Mn Mo


species: Mn W


species: Mo V


species: Ti V


species: Ti Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cl Li


species: F Nb

Wyckoff_letters_orig: e f


species: Hg Li


species: Hg Te

species_pp: Hg Te


species: Hg Ho


species: Hg Rb


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca Cs


species: Cs Li


species: Cs Rb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Ta


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Li Nb


species: Nb Rb


species: F Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: c c


species: F Ta

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: O Pb


Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a b b


species: Gd O

species_pp: Gd O


species: Cr Nd


species: Er Zn

Wyckoff_letters: e e


species: Er Ti


species: Fe Tb


species: Gd Tb


species: F Nb


species: Ca Cl

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

Wyckoff_letters: a d i


species: Co Mo

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: f f f f

Wyckoff_letters: g g


species: Dy Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ce Ni


species: Er Gd


species: Er Nd


species: Pm Ti


species: Sm Tb


species: Tb Ti


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters: c d e


species: Al I

species_pp: Al I

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: Cr I

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


Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

crystal_class: orthorhombic-bipyramidal


species: Au Zr

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Ce Mn


species: Co Tc


species: Er Sm


species: Mn Tc

sg:
Immm #71
Immm #71
Immm #71


species: Ni Y


species: Os Re


species: Fe La


species: Os Pt


species: Ir Mo


species: Cu Ir

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Eu Fe


species: Fe Nb

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Pt Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: La Re

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cr La


species: Ag Hf

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cu Tc

Wyckoff_letters_orig: a f


species: Pt Zr


species: Ag Zr


species: Cr Hg


species: Ca I

Wyckoff_letters_orig: a b

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


species: Co I

species_pp: Co I

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr I

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Fe I


crystal_class_orig: trigonal-trapezoidal


species: I K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Li

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


crystal_class: ditrigonal-scalahedral


species: I Ni


species: I Zr

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: e g


species: Cd I

species_pp: Cd I


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Sn

species_pp: I Sn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ba I


species: I Pb

crystal_class: hexoctahedral


species: Cd Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Ta

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Mo Rh


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


Wyckoff_letters: c d


crystal_class: ditetragonal-dipyramidal


species: Ga I

Wyckoff_letters: b c


species: I Sr


species: Cd Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Y

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Tc Zr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: V Zr


species: Fe Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Y Zr


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Zr

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Fe La


species: Ag Ru

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mo Pt

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ru Ti


species: Ag La

species_pp: Ag La


species: Hf Rh

Wyckoff_letters_orig: b c


species: Hf W

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ta

crystal_class_orig: dihexagonal-pyramidal


species: Hf Nb


species: Hf Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Nb


species: Nb Zr


species: Ni Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ir Nb


species: O Pr

species_pp: O Pr

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Fe Ru


species: Hg Pt

species_pp: Hg Pt


species: Cd O

species_pp: Cd O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Hg Zn

species_pp: Hg Zn


species: Pd Sc


species: Sn Ti

crystal_class_orig: orthorhombic-bipyramidal


species: Cu O

crystal_class_orig: monoclinic-prismatic


species: Ca Cu


species: Li O

crystal_class_orig: ditrigonal-scalahedral


species: Cr La

Wyckoff_letters_orig: b f


species: K Mg

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co F

species_pp: Co F

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: Al Nd

species_pp: Al Nd


species: Ni O

Wyckoff_letters_orig: a b


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zr

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a h i

Wyckoff_letters: i i j

Wyckoff_letters: a h i


species: Ca Cr

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


species: O Sc

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


species: O W

crystal_class_orig: ditetragonal-dipyramidal


species: Fe O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Ag Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Pd


species: Ca H

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: a c i i i i i

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

Wyckoff_letters: i i

Wyckoff_letters: a c i i i i i

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


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Cr Pd

crystal_class_orig: dihexagonal-dipyramidal


species: O Os

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: V Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Ga

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b c c c c f

Wyckoff_letters: d e


species: Au V


Wyckoff_letters: c c


species: W Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


crystal_class: trigonal-trapezoidal


species: Nb Tc


species: I Pt

species_pp: I Pt

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Al F

species_pp: Al F


species: Cr Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sb

species_pp: O Sb


species: O Sr

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Os Tc

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ge S


species: O Ru

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Ca Ti


species: Li Mn


species: O Pb


species: Re Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo V

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Re


species: O Zr

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f

Wyckoff_letters: a c


species: O W


species: Hf Sc


species: La Zr


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Fe Hf


species: Li O


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mg

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O V


species: Te Zn

species_pp: Te Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a f h


species: C Zr

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: i j

Wyckoff_letters: a c g

Wyckoff_letters: i j


species: Hg Ni

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: I Zn


species: Nb O

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Zn

species_pp: O Zn


species: Ca Ga

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Cr O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: Hf Mn

crystal_class_orig: hexoctahedral


species: Cd V


species: Cd Mo


species: Fe O


species: Ge Se

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cu Sc


species: I V

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr K

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Co Sc


species: Cu Li


species: Ag Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: I Tc


species: Cu F

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Al Pt

species_pp: Al Pt

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a f j

Wyckoff_letters_orig: c f i i j

Wyckoff_letters: a f j

Wyckoff_letters: c f i i j


species: Co F

Wyckoff_letters_orig: i i


species: K Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Ti

Wyckoff_letters_orig: c c c


species: Au Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Br La

species_pp: Br La

Wyckoff_letters_orig: e e e e e

Wyckoff_letters_orig: e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_letters: e e

Wyckoff_site_symmetries: m m m m m


species: Nb O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Ni

Wyckoff_letters: b a


species: O Tc


species: Cu Mg


species: O Pb

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: F Mg


species: Cr Li

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Mg


species: I Mg


species: Fe O


species: Li O

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Fe Li

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: c g


species: Eu P

species_pp: Eu P

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Eu O

species_pp: Eu O


species: O W

Wyckoff_letters_orig: a a


species: Mo V


species: Ca Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb O

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: B Pd

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: e e f f f f f f f

Wyckoff_letters: e f

Wyckoff_letters: e e f f f f f f f


species: Ca Tc


species: O Tc

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a


species: Mn Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Pt Zr


species: Cr S


species: O V


species: Ru Zn


species: Nb Ni

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Sr


species: Cd F

species_pp: Cd F


species: I Tc

Wyckoff_letters_orig: i i


species: Ca V


species: Mg Ni


species: Ca Ni

Wyckoff_letters_orig: e e


species: Sn Th

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Rh

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: Bi Ti

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


species: Nb O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: c i i

Wyckoff_site_symmetries: 2/m m m


species: Co Rh


species: Bi O


species: Li Mg


species: Cu Te


species: Cd Re


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Te


species: Ca Mg


species: F Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Ca K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters: i i


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Li Zn


species: I V


species: O V

Wyckoff_letters_orig: i i j

Wyckoff_letters_orig: a i

Wyckoff_letters: i i j

Wyckoff_letters: a i


crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c c b


species: Co W


species: K O


species: Cs Te

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Rb

crystal_class_orig: monoclinic-prismatic


species: Co Cu

crystal_class_orig: ditrigonal-scalahedral


species: Co Zn

species_pp: Co Zn

crystal_class: hexoctahedral


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ti


species: Cr V

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Ti

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c


species: Fe Mo


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

Wyckoff_letters_orig: b l

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b h


species: Mo V


Wyckoff_letters: a d


species: Ni W


species: Ti W

Wyckoff_letters: b l


species: Ti Zn


species: V W

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Cu

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Cr Ni


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cr W


species: Fe Zn


species: Mn Ni


species: F Nb

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

Wyckoff_letters_orig: c c c b b

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

Wyckoff_letters: c c c b b


species: Hg In


species: Hg S

species_pp: Hg S


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


crystal_class_orig: diploidal

crystal_class: diploidal


species: Hg K


species: Hg Rb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Nb


species: Ca Rb


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cs Mg


species: K Rb


species: K Ta


species: Cl Mg

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: O Pb

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Cl Nb

Wyckoff_letters_orig: i i i j j j j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j j j j

Wyckoff_letters: g j


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: g g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: g g


species: Cr Dy

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Nd Sm

crystal_class_orig: dihexagonal-dipyramidal


species: Ni Yb


species: Pm V


species: F Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ce Er


species: Co Gd

species_pp: Co Gd


species: Cu Eu

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Dy Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Er Mn


species: Er Ni


species: Fe Sm


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal


species: Ba I

Wyckoff_letters_orig: c c


species: Be I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Ni


species: Ag Bi

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Au Os

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Pt

species_pp: Cd Pt


species: Cd W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hf W


species: Pt Rh


species: Re Tc


species: Rh Zn


species: Ag Rh


species: Hf La


species: Au Ti


species: Y Zr


species: Hg Pt

species_pp: Hg Pt


species: Pd Y


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Re Zn


species: W Y


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sc Tc

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ag Os

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Hf


species: Ag Ta


species: Tc Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O

crystal_class_orig: hexoctahedral


species: Cl Mg

Wyckoff_letters: c c


species: Co Si

species_pp: Co Si


species: Cr Os


species: Hg Re


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


species: Cr I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Fe I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters: e e


species: I K


species: I Mg


species: Be I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Zr

Wyckoff_letters_orig: e e


species: Ag I


Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: Ba I

Wyckoff_letters_orig: c c


species: Hg I


species: Ni Pt


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ir Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Pt


species: Cu Pd


species: Hf Pt


species: Fe Os

sg2:
Immm #71
Immm #71
Immm #71


species: Hf Mo


species: Hg Rh


species: Hf Tc


species: Ir Ni


species: Ag Mo

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Os

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Re Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Zn


species: Cr Pd


species: Fe Sc


species: Fe Zr


species: Nb Re


species: Ba Se


species: Nb Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf V


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg Zr

Wyckoff_letters: c c


species: Mo Zr


species: Nb Ta


species: Nb Ti


species: Nb V


species: Ta W


species: Ti Zr


species: N O

species_pp: N O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a c c c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c

Wyckoff_letters: a c c c c


species: Cr Yb

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ag Pd


species: Cr Pr


species: Cu Tc


species: Ir Ti


species: Ru Ta


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Eu Ho


species: Hf Ir


species: Fe Ta


species: Bi O


species: I V

sg2:
Cmce #64
Pmma #51
Pmma #51


species: Mg O

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Mn O


species: O Pr

crystal_class: trigonal-trapezoidal


species: Ca Tc


species: O Sn

species_pp: O Sn

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

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 Y


species: Li Zn


species: Cr Sc


species: Br Cu


species: O Ru

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: As Sn

species_pp: As Sn


species: O Rh

Wyckoff_letters_orig: a d g h


species: Ni O

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Zn

species_pp: O Zn

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: C W


species: Fe N

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: l l l l l l l

Wyckoff_letters_orig: a d g g g h h i i i

Wyckoff_letters: l l l l l l l

Wyckoff_letters: a d g g g h h i i i


species: F V


species: Ge Mo


species: O Ti

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: I V

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: Mn O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Li

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Tc

sg2:
Pnnm #58
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Ca Cl

Wyckoff_letters: c c


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: I Nb


crystal_class_orig: monoclinic-prismatic

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: O Zr

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: a e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: a e e e


species: Mo N


species: Mn Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca F

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O

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: Cr La

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ni O

crystal_class: dihexagonal-pyramidal


species: Ge Se


species: O Tc


species: Ca Tc

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Sn


species: O Pr


species: Co Li

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li Ni


species: Co Zn

species_pp: Co Zn


species: Ni Pd


species: Mn O

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: I V

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Fe Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Zn


species: I Mn

Wyckoff_letters_orig: e e e


species: Os Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ca Mg


species: Co F

species_pp: Co F


crystal_class_orig: ditetragonal-dipyramidal


species: La Rh


species: I Ti

crystal_class_orig: tetragonal-trapezoidal


species: N Se

species_pp: N Se


species: Mn W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Re


species: K O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: O Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Cu K


species: Sc Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cr Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Pt W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti


species: Cr Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: As Rb

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

Wyckoff_letters_orig: e e e e e e

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

Wyckoff_letters: e e e e e e


species: Cu V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: I V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mn Se


species: Ni Zn


species: Hg O

species_pp: Hg O


species: Cd O

species_pp: Cd O


species: Co O

species_pp: Co O


species: Ag Cu


species: O W

Wyckoff_letters_orig: a b b

Wyckoff_letters: a h g


species: Mn O


species: Ag Fe

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b


species: C N

species_pp: C N

Wyckoff_letters_orig: a a b

Wyckoff_letters: a a b


species: F Fe

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e

Wyckoff_letters: d a


species: Nb O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

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


species: Fe Zr

crystal_class: hexoctahedral


species: Ba O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: K Li

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Te Zn

species_pp: Te Zn

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

crystal_class: ditetragonal-dipyramidal


species: Co F

aflow_prototype_params_list_orig: a c/a y2


species: La Sn

species_pp: La Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a c g h h h

Wyckoff_letters: g g

Wyckoff_letters: a c g h h h


Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


species: Co K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Zr

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O V


species: Ir Zn

species_pp: Ir Zn


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mo W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Ni

crystal_class_orig: hexoctahedral


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Bi Ti

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Li Mn


species: O Ru


species: Sn Te

species_pp: Sn Te


species: Li Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O

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


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca O


species: K O

Wyckoff_letters_orig: c d


species: Li Mg


species: Ti Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ta Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe K

crystal_class_orig: ditrigonal-dipyramidal


species: I V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


sg2:
Imm2 #44
Imma #74
Imma #74

Wyckoff_letters_orig: c c d e

Wyckoff_letters: i a g


species: Co F

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Li Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co Sc


species: H Mn

Wyckoff_letters_orig: a f h n

Wyckoff_letters: a f h n


species: Ca V


species: Ca Cu


species: F Ga

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Ru Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr F


species: Cu Hg


species: Cd V


species: Ag Au

species_pp: Ag Au


species: O V


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mo O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Ti


species: Er O


species: Bi In

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


crystal_class_orig: diploidal

crystal_class: diploidal


species: Li Mn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pd Tl

Wyckoff_letters_orig: a e f i

Wyckoff_letters_orig: b d i

Wyckoff_letters: a e f i

Wyckoff_letters: b d i


Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Mg Nb


species: K Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Ta

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: O Ta


species: Co V


species: Co W


species: Cu Ti


species: Mn V


species: Mo Ti

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Mo Zn


species: Ni Zn


species: Ti V


species: Co Cu


species: Co Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe V


species: Mn Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Ti


species: Mn W


species: Mo Ni

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Mo V


species: Ni W


species: V W


species: W Zn


species: O Pb

Wyckoff_letters_orig: c c d d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c d d

Wyckoff_letters: c d


species: Hg Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg Ho


species: Hg In

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hg K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Rb


species: Cs Rb


species: K Rb

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Nb


species: Li Ta


species: Cl Nb


species: F Nb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: F Ta

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Eu Nd

species_pp: Eu Nd


species: Ni Pr


species: Eu Tb


species: Er Mn


species: Tb Ti


species: Ca Cl


species: F Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


Wyckoff_letters_orig: f h

Wyckoff_letters: f h


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Tb

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Co Cr


species: Cr Yb


species: Dy Fe


species: Dy Ni

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Dy Ti


species: Gd Yb

species_pp: Gd Yb


species: Be I

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: i i


species: Co I

species_pp: Co I


species: Ge I

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: Cs I


species: I Sr

Wyckoff_letters_orig: c c


species: Cr Rh


species: Au Mn


species: Cd Co

species_pp: Cd Co


species: Fe Tc


species: Ag Cd

species_pp: Ag Cd

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Fe Hf

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Nb Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Os Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cd Ta


species: Rh Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Ta W


species: Ag Zn

species_pp: Ag Zn


species: Mo Os


species: Nb Sc


species: Os Pt

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Pm Ti


species: V Y

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Co Os


species: Hg Ti


species: Sc Ta


species: Ag Re


species: Fe Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Co I

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: d a

Wyckoff_letters: c a f


species: Cr I

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h

Wyckoff_letters: f g

Wyckoff_letters: e h


species: Fe I

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I K

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: I Ni


Wyckoff_letters: a e e


species: Be I

crystal_class_orig: orthorhombic-bipyramidal


species: I Si

species_pp: I Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e e


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Cd Hf

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hf Ni

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: O Sn

species_pp: O Sn


species: Cu I

crystal_class_orig: dihexagonal-pyramidal


species: I Zn

species_pp: I Zn


species: I Sr

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Gd


species: Ni O


species: Hg Y

sg2:
Pnma #62
Pnma #62
Cm #8

Wyckoff_letters_orig: c d


species: Re W


species: Al Mn

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


species: Cd Zn

species_pp: Cd Zn


species: Hg Os

Wyckoff_letters: c d


species: I Ni

crystal_class_orig: tetrahedral


species: Pd Zr


species: Pt Ta


species: Cd Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf V


species: La V


species: Hg Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cr La

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Zr


species: Hf Mo


species: Hf W


species: Ta Ti


species: W Zr


species: Hf Nb


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Ta


species: Nb V


species: Au Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Pd

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Pt

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


species: Os Re


species: Cd Mo


species: Dy Pr


species: Hg Zn

species_pp: Hg Zn


species: O Si

species_pp: O Si

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal

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


species: Ag Cr


species: Ag Sc


species: Cd Hg

species_pp: Cd Hg


species: Cd Pd


species: I V

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Ho Pb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Rh

crystal_class_orig: orthorhombic-pyramidal


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Sc Y

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca Cr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Se Sn

species_pp: Se Sn


species: Cu Zn


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


species: S V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: I Mn


species: Pb S


species: Co F

species_pp: Co F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: F Mn


species: F Ti


species: K O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: a d c

Wyckoff_letters: c h


species: Ca Ni


species: Ca Ti


species: I Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Co


species: Si Zn

species_pp: Si Zn

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

Wyckoff_letters: e a e i i i i d c


species: Ca V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Au Ti


species: Sr Tl


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pb Te

Wyckoff_letters_orig: a a a a


species: Ag Cd


species: O Sc

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Al Si

species_pp: Al Si

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Zr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: Mn O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Bi O

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Mg


species: P V

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Bi Ti


species: O Ta

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: a e f f i i i i j j

Wyckoff_letters_orig: e e i i

Wyckoff_letters: a e f f i i i i j j

Wyckoff_letters: e e i i


species: Pt Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr F

Wyckoff_letters_orig: e e f f f f f f f

Wyckoff_letters: e e f f f f f f f


species: B N

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: b e

Wyckoff_letters: a d

Wyckoff_letters: b e


species: Co Mg


species: Pt Zr

Wyckoff_letters_orig: a i


species: Ag Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ge O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Co

species_pp: Ag Co


species: Li Mg


species: O Sc


species: Ca Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Nb O


species: Al Dy


species: Ni O


species: O W

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b a b

Wyckoff_letters: b b


species: O Pd

Wyckoff_letters_orig: e e

crystal_class: orthorhombic-bipyramidal


species: O Pb

Wyckoff_letters_orig: e e e e


species: Au F

species_pp: Au F

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Ca Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Al Fe

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: e f g

Wyckoff_letters: e f g


species: Ca O


species: Cu F


species: Hf Os

Wyckoff_letters: b d


species: S Zn

species_pp: S Zn

crystal_class: hexagonal-trapezoidal


species: K Mg

crystal_class: tetrahedral


species: Pd Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Zn

species_pp: O Zn

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Mg O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Mo O


species: F Fe

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: O Ti

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b c d

Wyckoff_letters: b c d


species: Ag Bi

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-scalahedral


species: Bi O

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a b i i i

Wyckoff_letters_orig: i i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a d i i i

Wyckoff_letters: i i i i i i i


species: Mn V


species: La Ni


species: Co F

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Se Sn

crystal_class: dihexagonal-pyramidal


species: C Th


Wyckoff_letters_orig: a a

Wyckoff_letters: b a

Wyckoff_letters: a b


species: Ge S

Wyckoff_letters: e e


species: O Tc

crystal_class: ditetragonal-dipyramidal


species: Ag Pd

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Zn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Re Ta


species: I Mn


species: Co K


species: Ru Zn


species: Ir Tc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Li

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Fe Os


species: Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Bi Sm


species: Li Mg


species: I Tc

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: O Si

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Co Ir

species_pp: Co Ir

Wyckoff_letters: b c


species: Mo Ta

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: W Zn


species: F Mn


species: Co O

species_pp: Co O

crystal_class_orig: hexagonal-trapezoidal


species: Fe Li

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Mg

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: i i

Wyckoff_letters: a c


species: Au Cd

species_pp: Au Cd


species: O Re


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F V

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: I Ti


species: Cr Zn

Wyckoff_letters_orig: a c


species: Ca Ni


species: Cr O

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: I O

species_pp: I O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Ca Ti


species: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Sc W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W

aflow_prototype_params_list_orig: a c/a z2


species: Mn V


species: I Mn


species: Sn Te

species_pp: Sn Te

aflow_prototype_params_list_orig: a c/a


species: Ba Bi


species: Hf O

crystal_class_orig: diploidal


species: S Sc


species: V Zr

crystal_class_orig: orthorhombic-bipyramidal


species: Ca Mn


species: Mn O

crystal_class: diploidal


species: Cu Li

crystal_class_orig: ditrigonal-scalahedral


species: Cd Nb


species: Cr O

Wyckoff_letters_orig: b c


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Cr K


species: Cd Cr


species: Hf La


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: c c


species: Hf Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Te Zn

species_pp: Te Zn


species: Li Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Mn


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Li Tc


species: Ga Ta


species: O Ti


species: Ca F

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c d d d

Wyckoff_letters: a b d

Wyckoff_letters: c d d d


species: O Tc

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_letters: m m o

Wyckoff_letters: i m


species: N Th


species: Fe Mg


species: Fe Li

Wyckoff_letters: c c


species: Co Mg

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Pd Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ga Pt

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Nb O

sg:
Pbca #61
Pbca #61
Pbca #61


species: O Zn


species: C N

species_pp: C N

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a c d e i i i i

Wyckoff_letters: a c d e i i i i