species: Cr Mg

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

sg2:
Immm #71
Immm #71
Immm #71


species: Cu Mo

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: a l

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

point_group_type: centrosymmetric

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: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: I Ti

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

Wyckoff_letters_orig: h g

Wyckoff_letters_orig: a h

Wyckoff_letters: h g

Wyckoff_letters: a h


species: Nb O

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: trigonal

crystal_class_orig: trigonal-trapezoidal

point_group_type_orig: enantiomorphic

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: trigonal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX


species: O 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: a c

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: a c


species: O Tc

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Hf Os

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: V Zn

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

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: c d e


species: F Fe

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: O Ta

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: Li O

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic


species: Cr F

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

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

Wyckoff_letters_orig: f f f

crystal_class: rhombohedral

point_group_structure: cyclic

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: f f f


species: Ni V

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

lattice_system_orig: cubic

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: F Zr

crystal_system_orig: hexagonal

crystal_class_orig: hexagonal-trapezoidal

crystal_system: hexagonal

crystal_class: hexagonal-trapezoidal


species: Cu Li

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

crystal_class_orig: diploidal

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

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: Co Zn

species_pp: Co Zn


species: Cr Li

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: O W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Ta W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: I Mn

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd F

species_pp: Cd F

Bravais_lattice_orig: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

aflow_prototype_params_list_orig: a b/a c/a


species: Cr O

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: e f f

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCLC

Wyckoff_letters: e f f


species: O Rh

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

Wyckoff_letters_orig: c f

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

Wyckoff_letters: c f


species: O Sc

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a g g g g g g g g g g g

Wyckoff_letters_orig: g g g g

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: a g g g g g g g g g g g

Wyckoff_letters: g g g g


species: Nb O

aflow_prototype_params_list_relax: a c/a x2


species: Mg Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Ta


species: Fe Ti


species: Co Cr


species: Cr Ni


species: Cr W

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC


species: Cu Fe

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Mn

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: Fe Ni


species: Mn V


species: Mo Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Mo Ti

aflow_prototype_params_list_orig: a c/a x2


species: Ni W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ti W


species: W Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Co Cu

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ni


species: Cr Zn

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


species: Cu Mn

point_group_structure_orig: symmetric

Wyckoff_letters_orig: a e

point_group_structure: symmetric

Wyckoff_letters: a e


species: Cu W

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Fe V


species: Fe Zn

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

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a


species: Mn Mo


species: Mo V


species: Mo W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cl Nb

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


species: Hg Ho


species: Hg Te

species_pp: Hg Te


species: Ca Nb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Ta


species: Mg Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Nb Rb


species: O Pb

crystal_class_orig: ditrigonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: c j

Wyckoff_letters_orig: j j j

Wyckoff_letters: c j

Wyckoff_letters: j j j


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: c c


species: O Pr

species_pp: O Pr

crystal_class_orig: tetragonal-trapezoidal


species: Er Nd


species: Eu V


species: Cu Er


Wyckoff_letters: c c


species: Co Yb

species_pp: Co Yb

Egap_DOS_type: metal


species: Dy Fe


species: Er Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Er Ti


species: Gd Sm


species: Pm Zn

species_pp: Pm Zn


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ga I


species: Cd I

species_pp: Cd I


species: Ag La

species_pp: Ag La

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: La Rh


species: Pd Y


species: Re Zr


species: Ta Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ti Y


species: Ag Rh


species: Cu Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Rh


species: Cu Hf

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: La Ni

Wyckoff_letters_orig: b f


species: Os V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Tc Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: C Tc


species: Ni Zr


species: V Zr


species: Fe Tc


species: Cd Os

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Sc

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: Pd Tb


species: Al O

species_pp: Al 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

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ir Os


species: Ir V


species: Au Pd


species: Re Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ir Mo

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ir Zn

species_pp: Ir Zn


species: Ta W


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a c

Wyckoff_letters: c b


species: Cr I

Egap_DOS_type: half-metal


species: Fe I

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: I K

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: I Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: h g

Wyckoff_letters: c g


crystal_class_orig: ditrigonal-scalahedral


species: Be I


Wyckoff_letters_orig: b c

Wyckoff_letters_orig: m n

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: b c

Wyckoff_letters: m n

Wyckoff_site_symmetries: m m


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: I Zr

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a


species: Cd I

Wyckoff_letters_orig: b b b b a a a a c

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

Wyckoff_letters: b b b b a a a a c

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


species: I In

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c f g h

Wyckoff_letters_orig: a d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: Hg Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Pt Ru

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al I

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


reciprocal_lattice_type_orig: ORCF

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: Ga I

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: I Sr

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Au Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cr Y

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg V


species: Pd Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc W


species: Hf Mn


species: Hg Os


species: Au Ru


species: Cu Zr


species: Os Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: La Tc


species: Ta W


species: Hf Ti


species: Mo Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Ta


species: Mo Ti

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a f


species: Hg Mo


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ta Zr


species: F In


species: O Yb

species_pp: O Yb

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Cd V


species: Au Os


species: La V


species: Ag Nb


species: Ru Zr


species: Ge S


species: Cd Zr


species: Sc Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd La

species_pp: Cd La

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Cd Ti


species: Nb Re


species: Cu K


species: O Sn

species_pp: O Sn

crystal_class: trigonal-trapezoidal


species: O W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F V


species: O Pd


species: Li Mn


species: Co O

species_pp: Co O

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


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: Cu F

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Au Te

species_pp: Au Te

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e a

Wyckoff_letters: g g


species: Co Dy


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Li Mg

crystal_class: ditetragonal-dipyramidal


species: Os Tc


species: Ca O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


species: I Mn

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

Bravais_lattice_relax: ORCF

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: Ca Cr

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: O Sr

Wyckoff_letters_orig: a c


species: Co Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Ni


species: Bi Li


species: Ca Fe

crystal_class: ditrigonal-scalahedral


species: Ca Ti


species: O Sn


species: Hf O


species: F V


species: Ge Pt


species: Li Ni

Wyckoff_letters: a c


species: Cd O

species_pp: Cd O


species: O Zr


species: O Sc

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Li

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a d i i

Wyckoff_letters_orig: i i

reciprocal_lattice_type: TRI

Wyckoff_letters: a d i i

Wyckoff_letters: i i


species: Hg O

species_pp: Hg O


species: La Mn


species: Pb Se


species: Hf Ti


species: F Mn

Wyckoff_letters: c c


species: O V

crystal_class_orig: diploidal


species: Pd Ta


Wyckoff_letters_orig: e e

Wyckoff_letters: g g g


species: Pb Sr

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c c d

Wyckoff_letters: c d d


species: Ca Fe


species: C N

species_pp: C N

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: H Ta

Wyckoff_letters_orig: c c c c e e

Wyckoff_letters_orig: a b c

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: c a a f

Wyckoff_letters: b a


species: Cr Os

Wyckoff_letters_orig: b g


species: Cr O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: F Fe

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Co La

species_pp: Co La


species: O Tb


species: Cr K

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m m m


species: I Mn

Wyckoff_letters_orig: c h

Wyckoff_letters_orig: a c d

Wyckoff_letters: d a


species: Ca Ti


crystal_class_orig: tetrahedral


species: Pt Zr

Wyckoff_letters_orig: a c


species: I Ti

Wyckoff_letters_orig: c f f

Wyckoff_letters_orig: c f

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: I Nb

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a a a


species: Mn O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Li

crystal_class: hexoctahedral


species: Ti V

Wyckoff_letters: a c


species: Bi S

sg:
Amm2 #38
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: d f f

Wyckoff_letters: g o o


species: Ca O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Fe La

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ca F

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Pb Se

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F Ti

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Au Sc

crystal_class_orig: dihexagonal-dipyramidal


species: O Pt

species_pp: O Pt

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Fe Hg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pt W


species: Al F

species_pp: Al F


species: Mg O

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: F Sr


species: F Mn


species: I Ti

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: h i

Wyckoff_letters: a c e


species: C Fe

Wyckoff_letters_orig: a c n

Wyckoff_letters: a c n

aflow_prototype_params_list_orig: a b/a c/a beta x4 z4

aflow_prototype_params_list_relax: a b/a c/a beta x4 z4


species: Cu Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ta Tc


species: Cr N


species: Fe O

Wyckoff_letters_orig: d e f

Wyckoff_letters_orig: c c

Wyckoff_letters: d e f

Wyckoff_letters: c c


species: I Mg

crystal_class_orig: 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: Rh Zr


species: Ta Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Cr


species: K O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I V

crystal_class_orig: dihexagonal-pyramidal


species: C Ru

crystal_class_orig: ditrigonal-dipyramidal


species: Eu S

species_pp: Eu S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K N

crystal_class_orig: ditetragonal-dipyramidal


species: Cu Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu F


species: La Se

species_pp: La Se

Wyckoff_letters_orig: e g g

Wyckoff_letters_orig: a e g g g g

Wyckoff_letters: e g g

Wyckoff_letters: a e g g g g


species: Se Zn

species_pp: Se Zn


species: Mo O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: O Sr

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Cr K

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Be Cl

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc V


species: Cr La

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Cu Li

Wyckoff_letters: c d e


species: Ca Fe


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: Cr Li


species: O Zr

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: g h

Wyckoff_letters: g j

Wyckoff_letters: g h


species: Fe O

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Bi O


species: Cd Cr

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: K O

Wyckoff_letters_orig: a h j j k k n

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a h j j k k n


species: O Tb

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cl Zr


species: Ti Zr


crystal_class_orig: hexoctahedral


species: O Sr

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Cu K


species: Ir Tc

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Cu


species: I Li


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Ca Co

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Si

species_pp: O Si


species: Hg Mo


crystal_class_orig: monoclinic-domatic

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

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


species: O Ru

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f


species: Fe O


species: Cr F

aflow_prototype_params_list_orig: a b/a c/a x2


species: Co Li


species: Cr O

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: O Tc

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: K O


Wyckoff_letters_orig: d g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g


species: Cu Pd

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Os

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


species: Co Zn

species_pp: Co Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e


species: I Ta

Wyckoff_letters_orig: a i i i j j

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i i j j

Wyckoff_letters: c i


species: Ca Tc


species: Ba Se

Wyckoff_letters: c e


species: I V

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: d c


species: Pb Se

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: e e


species: Ca K

sg:
Immm #71
Immm #71
Immm #71


species: O Zr

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: C Fe

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i


species: Mg O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Cu O


species: O Rb

sg:
Pnma #62
Cmcm #63
Cmcm #63

sg2:
Pnma #62
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: Cd Nd

species_pp: Cd Nd


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ta

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a c


species: Co Cu

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr V


species: Mn Mo

Wyckoff_letters: a c


species: Mn Zn


species: Co Fe


species: Cr Mo

crystal_class_orig: dihexagonal-dipyramidal


species: Cu Mo


species: Cu Ti


species: Fe Mo


species: Fe W

Wyckoff_letters_orig: a e


species: Mn W

Wyckoff_letters_orig: c c


species: Mo W


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Zn


species: Ti V


species: Ti W

sg2:
Immm #71
Immm #71
Immm #71


species: W Zn


species: Co Cr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Co Mo


species: Co Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Cu

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Fe


species: Cu Mn

crystal_class_orig: monoclinic-prismatic


species: Fe Mn


crystal_class_orig: diploidal

crystal_class: diploidal


species: Mn Mo

Wyckoff_letters_orig: b h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b h


species: Mn V

Wyckoff_letters: a e


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


crystal_class_orig: orthorhombic-bipyramidal


crystal_class: ditrigonal-scalahedral


species: Cl Ta

crystal_class: orthorhombic-pyramidal


species: F Ta

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: d d d e

Wyckoff_letters: d d d e


species: I Ta

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e


species: O Pb

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Hg Rb

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hg Se

species_pp: Hg Se


species: Hg Yb

species_pp: Hg Yb


species: K Nb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: K Ta

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Mg Rb

Wyckoff_letters_orig: a d


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Hg Li

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


Wyckoff_letters: c c


species: Ni Pr


species: Cl Nb

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Dy Mn


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Dy Ti


species: Er Pm

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Gd Zn

species_pp: Gd Zn


species: Tb Ti


species: Tb Zn


species: Ag I

species_pp: Ag I

crystal_class: monoclinic-sphenoidal


species: Cd I

species_pp: Cd I


crystal_class_orig: triclinic-pinacoidal


species: Ge I

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Pb

crystal_class_orig: ditrigonal-scalahedral


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Sr

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c


species: Cu Hf

crystal_class: hexoctahedral


species: Fe Ta


species: Hf Os

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Sc

crystal_class: tetrahedral


species: La Y


species: Ni Os


species: Ta Ti


species: Re W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pt Sc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Au Sc

crystal_class_orig: dihexagonal-pyramidal


species: Nb Pd


species: Cd Sc


species: Br Eu

species_pp: Br Eu

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: La Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Rh Y


species: Rh Ti


species: Cu Sc


species: Dy Ti


species: Ag Zr


species: Hg Tc


species: Ca I


species: Co I

species_pp: Co I

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr I


species: Fe I

Wyckoff_letters_orig: a b e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e


crystal_class: hexagonal-trapezoidal


species: I K


species: I Mg


crystal_class_orig: orthorhombic-pyramidal


species: I Ni


species: Ag I


species: Cd I


species: I In

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Dy Ho


species: Er Yb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cu I


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


Wyckoff_letters: e e


species: Al I

species_pp: Al I

Wyckoff_letters_orig: f f f

Wyckoff_letters: a c


species: I Sr

Wyckoff_letters: c c


species: Cs I


species: Hf Ru


species: Mo Os


species: Ag Bi


species: Ir Mn


species: Ru Zn


species: Ta Y


species: Au Ru


species: Cr La


species: Au Y

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Os Ta


species: Y Zr


species: Cd Y


species: Co Ir

species_pp: Co Ir

Wyckoff_letters: h i


species: F Nb


species: Hf Rh

crystal_class_orig: tetrahedral


species: Nb W


species: Hf Nb


species: Hf Ta


species: Mn Tc


species: Nb V


species: V Zr

Wyckoff_letters_orig: a d


species: Pd Zr

Wyckoff_letters_orig: h i


species: Tc Y

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Mg

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: a b c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: a b c c


species: Rh Ta

Wyckoff_letters_orig: c d


species: Ru Ta


species: Fe O

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: h g o

Wyckoff_letters: g h o


species: O Sb

species_pp: O Sb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


species: O Sr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: O Rh

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: Ca O

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: F Zr

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i


species: Cr O

Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: In K

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cr F


species: Co O

species_pp: Co O


species: Dy O

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Se Sn

species_pp: Se Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: I Ta


species: Hf Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Nb

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

crystal_class: orthorhombic-bipyramidal


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: I V


species: O Pb

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


crystal_class_orig: orthorhombic-bipyramidal


species: F Mn

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Ca Cu

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe K


species: O V

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: F V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mn

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Mg O

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b c


species: Au V


species: Fe Mg


species: Cd W

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ni Zn

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Nb Ti

crystal_class_orig: dihexagonal-dipyramidal


species: F Fe


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: a g

Wyckoff_letters: g g

Wyckoff_letters: a g


species: Cd Sc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn P

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a


species: Cd Ta


species: Nb Pt

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Ca Tc


species: Cu O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Sr

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a b c


species: Ir O

species_pp: Ir O


species: O W

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Ca O


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc V


species: Br W

crystal_class_orig: diploidal

Wyckoff_letters_orig: e h h

crystal_class: diploidal

Wyckoff_letters: e h h


species: C Sn

species_pp: C Sn

crystal_class_orig: hexoctahedral


species: Cu F

sg2:
Pmma #51
Pmma #51
Pmma #51

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Li Ni


species: S Sn

species_pp: S Sn


species: C Zr


species: Cr Mo

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Mn

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Cu Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Br O

species_pp: Br O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O V


species: B Cr


species: Ge O


Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Se Zn

species_pp: Se Zn


species: Fe O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: F Sr

Wyckoff_letters: c c


species: I Tc


species: Li Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mg Te


species: Li V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O Ru


species: Mn Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: In P


species: I Mn


species: Ca Cu

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Mn

Wyckoff_letters: a c


species: Fe Li


species: Ca Li

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Se Sn


species: Er O


species: Nb O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Sc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Br V


species: Co Pt

species_pp: Co Pt


species: I Ti


species: B Rh

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: I Zn


species: Ca Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ni O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: 2/m m m m m


species: Pb S


species: O Ti

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Ca Cr


species: Cr Mg


species: O Tc

Wyckoff_letters_orig: a c


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: Fe O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f

crystal_class: hexoctahedral


species: Ag Sc

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: F Ti

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

Wyckoff_letters_orig: b c c c c

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

Wyckoff_letters: b c c c c


species: La O

species_pp: La O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Zn


species: Cr Fe


species: Cu S

Wyckoff_letters_orig: c c c d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c c d d

Wyckoff_letters: c c d


species: Ho Mn


species: Fe K


species: O Zn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: a e


Wyckoff_letters_orig: e e


species: Co Ti


species: Hg O

species_pp: Hg O


species: Cu Zr


species: F Tl


species: Cu K

crystal_class: tetrahedral


species: Cu Li


species: O Ru

Wyckoff_letters: h g g

Wyckoff_letters: g h


species: Pt W


species: Cu Mg


species: Pd Ru

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Fe Ni


species: O Si

species_pp: O Si

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: a b

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a b


species: F Mn

Wyckoff_letters: a c


species: Fe Li

crystal_class_orig: ditrigonal-dipyramidal


species: As S

species_pp: As S

Wyckoff_letters: e e


species: Cd O

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


species: Co O


species: I Nb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: O Sn

species_pp: O Sn


species: F Ti

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O V

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Ca Pb


species: Mn Ti

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ni Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Ni


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mo V

sg2:
Immm #71
Immm #71
Immm #71


species: Mo W


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: V Zn


species: Co Cr


species: Co Ti


species: Cr Fe

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters: a e


species: Cr Ti


species: Cu Fe


species: Cu Mn


species: Fe Ti


Wyckoff_letters_orig: a f


species: Fe Zn


species: Ni V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ti W


species: Cl Cs

sg2:
Pnma #62
Pnma #62
Cmcm #63


species: Hg Rb


species: Hg Ho

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Hg Mg


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Cs

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Nb


species: Ca Rb


species: Ca Ta


species: Cs Mg


species: Cs Rb


species: K Rb


species: Li Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mg Rb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Li


Wyckoff_letters_orig: a e


sg:
Pnnm #58
Immm #71
Immm #71


species: Cl Pb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: a a


species: Ho O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sm

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d e


species: Co Er


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Er


species: Dy Er


species: Ho Ti


species: F Nb

Wyckoff_letters_orig: c c f h i j k

Wyckoff_letters_orig: c c d i

Wyckoff_letters: c c f h i j k

Wyckoff_letters: c c d i


species: Fe Zn

Wyckoff_letters_orig: a h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a h


species: Fe Nd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Gd

species_pp: Ce Gd


species: Ce Tm

species_pp: Ce Tm


species: Cr Dy

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ho


species: Cr Pm


species: Dy Mn


species: Gd Sm


species: Al I

species_pp: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: I In

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Cr I

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Cs I


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Co Zr


species: Hg Sc


species: Rh Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hf Re

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Sc

crystal_class: ditetragonal-dipyramidal


species: Nb Y

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Nb Zr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mn Pm


species: Nb Ru


species: Cd Ti


species: Sc Ta

crystal_class_orig: dihexagonal-dipyramidal


species: Sc Ti


species: Re Tc


species: Be N

Wyckoff_letters_orig: b f

Wyckoff_letters_orig: a c

Wyckoff_letters: b f

Wyckoff_letters: a c


species: Hf W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Sc W

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Al O

species_pp: Al O


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Cr


species: Hf Rh


species: Pt Rh


species: Rh Ta


species: Ca I

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Cr I

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


crystal_class_orig: ditrigonal-scalahedral


species: I K

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Li

crystal_class_orig: hexoctahedral


species: I Mg

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a e d


species: I Ni

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Be I

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I Si

species_pp: I Si


species: I Rb

crystal_class: hexoctahedral


species: I Zr


Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a a b b b c

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

Wyckoff_letters: a a a a a b b b c

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


species: Au Hg

species_pp: Au Hg


species: Cd Y


species: La W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru V

crystal_class: tetrahedral


species: I Zn

species_pp: I Zn


species: Re V


species: Au Tc


species: Cl Nb

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: Fe Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mo Zr


species: Ni Os

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Nb

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cl F

species_pp: Cl F

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Mn Pt

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Tb Yb


species: Ag Fe


species: Pt Zn

species_pp: Pt Zn

sg2:
Pnnm #58
Immm #71
Immm #71


species: Rh Y


species: Hf W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hf Zr


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Rh

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Nb W


species: Co Si

species_pp: Co Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Mg Te

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Dy Zn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Mn


species: Ba O

Wyckoff_letters_orig: a b


species: Mn O

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: d d d d d d


species: Cd V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Tc Zn


species: B Tc


species: Mg S


species: I Nb


species: O Sn

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: I Ti

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Ca Mn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g


species: Cr Fe


species: Cs O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a d g h


species: Ni V


species: Ru W

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu W


species: Nb O


species: Co Cr


species: Rh Ru

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: In K

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Li O

crystal_class_orig: ditrigonal-dipyramidal


species: Ni Zr

Wyckoff_letters: c d d


species: O Sr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ni

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n

Wyckoff_letters: b c


species: Co Tc

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Fe Si

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Se Zn

species_pp: Se Zn


species: I V

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: Ir O

species_pp: Ir O

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: O Pt

species_pp: O Pt

crystal_class_orig: orthorhombic-pyramidal


species: Fe O

Wyckoff_letters_orig: a b


species: Li V


species: Sc W


species: O Ti

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Bi O

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Co Ti


species: Ag Yb

species_pp: Ag Yb


species: Cr O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cd F

species_pp: Cd F


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Tc

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cu Os


species: Fe I


species: Co Zn

species_pp: Co Zn


species: Cr Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ru


species: Ni Sc

Wyckoff_letters_orig: a e f h k

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f h k

Wyckoff_letters: f f


species: F K


species: La Pd


species: F V


species: Ir Ti

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Br Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ca Mg

Wyckoff_letters_orig: c d


species: Nb Sb


species: O V


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: c h h h i

Wyckoff_letters: a e

Wyckoff_letters: c h h h i


species: Cu O


species: Cr K


species: Cr Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Ti Zn


species: Cr O

crystal_class_orig: trigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Pb S

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Mo S


species: Cd Cu


species: Fe K

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mg


species: Cd O

species_pp: Cd O

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: C Os


species: Co O

species_pp: Co O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Mo Ti


species: W Y

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: a c


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: f i

Wyckoff_letters: f i


species: Pd W


species: Au Co

species_pp: Au Co


species: Cu F

Wyckoff_letters: a b


species: Ni O


species: Er S

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: Ca Cu

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Mn

Wyckoff_letters_orig: c g g

Wyckoff_letters: c g g


species: Pd Tc


species: O W


species: Ta V


species: F Mg

Wyckoff_letters: c c


species: Si Th


species: Au Cr


species: Ca O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e


species: Ge Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Zn


species: Cd Hg

species_pp: Cd Hg


species: Ag Hf


species: W Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ca Mg

Wyckoff_letters_orig: a c


species: Br Fe


species: Eu O

species_pp: Eu O


species: Hf O


species: Cl Y

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Sc Zn


species: Ag Tc

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: I Ti


Wyckoff_letters_orig: a b


species: As Ni

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c

Wyckoff_letters: a b c c c c


species: H Nd

species_pp: H Nd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Sb


species: Mo Pd


species: Al Au

species_pp: Al Au

Wyckoff_letters_orig: b c e

Wyckoff_letters_orig: c c f f

Wyckoff_letters: b c e

Wyckoff_letters: c c f f


species: Ca Fe

Wyckoff_letters: a c


Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Si W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sn Te

species_pp: Sn Te

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: Fe Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Li Mn


species: Li O

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: g g

Wyckoff_letters: a g

Wyckoff_letters: g g


species: Ga Tb

Wyckoff_letters_orig: g m

Wyckoff_letters: g m


species: Mn Sc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca Ti


species: Mn O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e


species: Au V


species: Ni O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Tc V

crystal_class_orig: ditrigonal-scalahedral


species: Mn Zn


species: Ca Cu


species: O Sn

species_pp: O Sn

crystal_class: ditrigonal-dipyramidal


species: S Sn

species_pp: S Sn

crystal_class: ditetragonal-dipyramidal


species: Cd O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: d i i


species: Co K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Bi O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b g

Wyckoff_letters: a c h p


species: Li Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Sr

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


crystal_class: ditrigonal-scalahedral


species: Li Mg


species: Ir Ti

crystal_class_orig: hexoctahedral


species: F Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a a

Wyckoff_letters: d c


species: Li O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cu Li

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ni Pt

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Li Zn


species: F Fe

Wyckoff_letters_orig: e f


species: Ta W


species: Cr O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b

Wyckoff_site_symmetries: m m m m m m m m m


species: Pd Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pt W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O


species: N Pd


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c c


species: Ir Tc

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Ba N

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a i i i i i


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Sr

sg:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a a a a a

Wyckoff_letters: a a a a a a a


species: Cu Sn

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: b c f i

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: b c f i


species: Cd Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Pb

crystal_class: hexoctahedral


species: Pb Rb

Wyckoff_letters: c c


species: Cr Cu

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Cr Fe

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr Zn


species: Cu Zn


species: Fe Mn


species: Fe Zn


species: Mn Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo V


species: Mo Zn


species: Ti W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ti Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co Mn

crystal_class_orig: orthorhombic-bipyramidal


species: Co V

crystal_class_orig: ditetragonal-dipyramidal


species: Co W


species: Mn Mo


species: Mn Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ti


species: V W


species: Cl Nb


species: Cl Ta

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters: e g


species: Hg K

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Rb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: K Rb


species: Li Nb


species: Mg Rb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: K Nb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Pb

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cl K


crystal_class: orthorhombic-sphenoidal


species: Eu O


species: Cu Nd


species: F Pb

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


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: W Zn


species: Er Eu


species: Cr Dy


species: Cu Dy

crystal_class_orig: dihexagonal-dipyramidal


species: Cu Pr


species: Er Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Eu Tb


species: Nd Pm

species_pp: Nd Pm


species: Pm Tb


species: Ga I

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Al I

species_pp: Al I


species: I Rb


species: Cd Mo

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Hf Zr

crystal_class_orig: ditrigonal-scalahedral


species: La V


species: Nb Ta

Wyckoff_letters_orig: b e


species: Nb Y


species: Cd Nb

crystal_class: tetragonal-dipyramidal


species: Cr Pr


species: Er Fe


species: Mo Pd


species: Nb Zn


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Pd Ta


species: Cl Ti

crystal_class: rhombohedral


species: Hf Pd


species: Eu Ni

crystal_class: dihexagonal-dipyramidal


species: La Ni


species: Rh Ru

crystal_class: ditrigonal-dipyramidal


species: Sc V

sg:
Pmma #51
Pmma #51
Pmma #51


species: Re Zr


species: Al O

species_pp: Al O


species: Au Re


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Zr

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Hg Rh


species: Ru Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Fe La


species: Fe Sc


species: Ca I


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

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Co I

species_pp: Co I


species: I K

sg:
Immm #71
Immm #71
Immm #71


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: a b c

Wyckoff_letters: c c c c

Wyckoff_letters: a b c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Cr Ta

crystal_class: orthorhombic-bipyramidal


species: Fe Hf

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Fe O

Wyckoff_letters_orig: a a a a b b b b b

Wyckoff_letters_orig: a a a a a a a a b

Wyckoff_letters: a a a a b b b b b

Wyckoff_letters: a a a a a a a a b


species: Ir Sc

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Nb Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I


species: I Zn

species_pp: I Zn


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Al I

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a g i n

Wyckoff_letters: c f

Wyckoff_letters: a g i n


species: I Sr

Wyckoff_letters_orig: f h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f h


species: Ag Ti


species: Nb V

Wyckoff_letters: a e


species: Re Rh

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Pd


species: Au Pt

species_pp: Au Pt


species: Mo Pt


species: Nd O

species_pp: Nd O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


species: Os Pt

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Os W


species: Hg Ti

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Mo Zr

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ag Cu


species: Hg Ni


species: Mo Re


species: Nb Zn

crystal_class_orig: dihexagonal-pyramidal


species: Ni Rh

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Os Y


species: V Yb


species: Hf Mo


species: Hf Zr

crystal_class_orig: hexoctahedral


species: Nb Zr


species: Ta V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb W


species: Ta W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Mn


species: La Ru


species: Ru Tc


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Pt Rh


species: Ag Se


species: Hg Ta


species: Hg Tc


species: Os Pt

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Mn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Pt

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Os Ta


species: Cu Mg

Wyckoff_letters_orig: a e


species: F Ti

sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Se Zn

species_pp: Se Zn


species: Cu Ta

sg:
Pmmn #59
Pmmn #59
Pmmn #59


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: O Sn

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h

Wyckoff_letters: g h i

Wyckoff_letters: g h


species: Li Ti


species: I Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cr Mn


species: O Sc


species: Li Ni


species: Cr O

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Sc Zn


species: Bi O

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Nb Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b

Wyckoff_letters: b b


species: Fe Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Ti


species: Cu O


species: I Ti

Wyckoff_letters_orig: a b e e

Wyckoff_letters: b a e e


species: Ca O

Wyckoff_letters_orig: e e

Wyckoff_letters: i i


species: O Pb


species: Ag Hf

crystal_class_orig: tetragonal-dipyramidal


species: O Sr


species: Cu Li


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: i i i i

Wyckoff_letters: e e


species: F Mn

Wyckoff_letters_orig: e e g

Wyckoff_letters: e e g


species: Au Y


species: Mn Sb


species: Fe O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c d

Wyckoff_letters: c c

Wyckoff_letters: c d


species: Ni Ti


species: Co O

species_pp: Co O


species: Ni W


species: O Os

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O W

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Mn Re


species: Sc Zn


species: Co F

species_pp: Co F

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: I Mn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: B Li


species: Li V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Co


species: V Zn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ni Se


species: K O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Tc

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: O Re

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: P V

Wyckoff_letters_orig: i i


species: I Ti

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: C Ru

crystal_class: hexoctahedral


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c c c c c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c c c c c

Wyckoff_letters: c c c c


species: F Fe


species: Pd Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce O

species_pp: Ce O


species: Mo Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca F


species: Cr Mg


species: O Zr

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Cr F


species: K Sn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O V

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Li Zn


species: Ba Bi


species: O Sr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65


species: Cr O

Wyckoff_letters_orig: a d


species: Cd Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe O

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: a d d

Wyckoff_letters: c d

Wyckoff_letters: a d d


species: Cu F

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: Mo Rh


species: Fe K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Mg


species: Co W


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cd Fe

Wyckoff_letters: a d


species: La O

species_pp: La O

Wyckoff_letters_orig: e e

Wyckoff_letters: a b


Wyckoff_letters_orig: a a a a b b

Wyckoff_letters: a a a a b b


species: Co O


species: Ge La

Wyckoff_letters_orig: a l

Wyckoff_site_symmetries_orig: mmm m..

Wyckoff_letters: a l

Wyckoff_site_symmetries: mmm m..


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Bi Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O V

Wyckoff_letters_orig: a b d f

Wyckoff_letters: a b d f


species: Os Y


species: Ca Fe


species: Cu Ti

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Co F

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Hf Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O W


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Cu Mg


species: Au V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mg Te

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

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


species: Cd O

species_pp: Cd O

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b e

crystal_class: tetrahedral

Wyckoff_letters: a b e

Wyckoff_letters: e e


species: Li V

Wyckoff_letters_orig: a d


species: Sn Te


species: Fe O


species: Nb O

sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: d d d

Wyckoff_letters: f g e


species: F I

species_pp: F I

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

Wyckoff_letters_orig: e f f

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

Wyckoff_letters: e f f


species: Ca Cr


species: I Tc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m m


species: 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: Fe Pt

Wyckoff_letters_orig: d g

Wyckoff_letters: a f


Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c

Wyckoff_letters: c c


species: Cr Mg


species: Co F

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f f f

Wyckoff_letters: e f

Wyckoff_letters: f f f


species: Cu N

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg Te

species_pp: Hg Te


species: Li O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Ir Pd

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Co V


species: Pt Rh


species: Ca O


species: F Mn

Wyckoff_letters_orig: e e


species: Fe O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: F Sr

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f


species: Ir Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Rh

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters: f f


species: O Sr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ca Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag W


species: O Zr

sg:
Pbam #55
Ibam #72
P4/nmm #129

sg2:
Pbam #55
Pbam #55
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: g h i

Wyckoff_letters: j f


species: Ir V

crystal_class_orig: ditetragonal-dipyramidal


species: O Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: f e


species: Co Mo

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Mo


species: Mn W

crystal_class_orig: dihexagonal-dipyramidal


species: Co W

Wyckoff_letters_orig: c e


species: Cu Mo


species: Cu Ni

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Ti


species: Cu V


species: Fe Mn


species: Fe V


species: Fe Zn


species: Mn V


species: Mo Ti


species: Mo W


species: Mo Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co Ni


species: Cr Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters: c e


Wyckoff_letters_orig: a c


species: Ti W


species: Ti Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: V Zn


species: F Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ca Cl


species: Hg Li


species: Hg Ho


species: Hg In


species: Hg Mg


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Li Rb

crystal_class_orig: ditrigonal-scalahedral


species: Li Ta


species: Pb Ta


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce O


species: Eu O

species_pp: Eu O

Wyckoff_letters_orig: a b


species: Gd O

species_pp: Gd O


species: Gd Nd

species_pp: Gd Nd


species: O Pb

Wyckoff_letters_orig: j k l l

Wyckoff_letters: j k l l


species: Ce Fe


species: Co Pr

species_pp: Co Pr


species: Cu Yb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Er Sm


species: Mn Nd


species: Pr Sm


species: Tb Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Al I

species_pp: Al I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Hg I

species_pp: Hg I


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: Ag Fe

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag W


species: Au Os


species: Cr La


species: Dy Mn


species: Mn Nb


species: V Zr


species: Cd Cu

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Zr


species: Cr Sm


species: Cd Zn

species_pp: Cd Zn


species: Hg Ir

species_pp: Hg Ir


species: Ru Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: V Y


species: Al O

species_pp: Al O


species: Au La

species_pp: Au La


species: Hg Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Tc Zn


species: Cd Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Re


species: Hg Nb


species: Ir Re


species: Ru Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd V


species: Cr Ir

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Hg

species_pp: Cd Hg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca I

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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a


crystal_class_orig: hexoctahedral


species: Fe I

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I K

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


Wyckoff_letters_orig: c f

Wyckoff_letters: c e


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 e b m

Wyckoff_letters: d a

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: I Li


species: I Mg

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_relax: a b/a c/a x6


species: I Ni

Wyckoff_letters_orig: a a b c e

Wyckoff_letters_orig: a b

Wyckoff_letters: a a b c e

Wyckoff_letters: a b


species: I Zr

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Ag I

species_pp: Ag I


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: I Pb

Wyckoff_letters_orig: h h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h h i


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b

Wyckoff_letters: c c

Wyckoff_letters: a b b


species: Cs I


species: Au Re

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a c

Wyckoff_letters: a b d


species: Pt Tc


species: Cu Pt


species: Mn Pt

Wyckoff_letters: c f


species: Pt W


species: Cr Ta

crystal_class: dihexagonal-dipyramidal


species: Cd Hf

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Mo Se

crystal_class: ditrigonal-scalahedral


species: La Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mo Os

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Hf Mo


species: Mo Ta

Wyckoff_letters_orig: a c


species: Hf Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Nb Ti


species: Ta Ti


species: Ti Zr


species: Hf Nb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Hf Zr

crystal_class_orig: dihexagonal-pyramidal


species: Mo Nb

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: W Zr


species: Re Zn


species: La Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cd Ru


species: Cu Re


species: Pd Ru

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Rh V

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cd Ir

species_pp: Cd Ir


species: Cr Pt


species: Pd Tc

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Sc Ti


species: Ga V

Wyckoff_letters_orig: a c h

Wyckoff_letters_orig: g h

Wyckoff_letters: a c h

Wyckoff_letters: g h


species: Al H

species_pp: Al H

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: c g g h

Wyckoff_letters: a g

Wyckoff_letters: c g g h


species: Li Zn


species: I Ni


species: Fe I


species: Cd Cr


species: Ta V


crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Ni

Wyckoff_letters_orig: e f


species: Hf N

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: c g k k

Wyckoff_letters: c g k k


species: O V

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: Sc Zr


species: Ca Fe


species: F Sb

species_pp: F Sb

Wyckoff_letters_orig: e e e e f f f f f

Wyckoff_letters_orig: e e f

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: e e e e f f f f f

Wyckoff_letters: e e f

Wyckoff_site_symmetries: m m 1


species: Fe Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Pb Se

crystal_class_orig: tetragonal-trapezoidal

crystal_class: orthorhombic-pyramidal


species: Hg W

crystal_class_orig: ditetragonal-dipyramidal


species: I Mn

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Co O

species_pp: Co O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-bipyramidal


species: V Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Mn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Os Y


species: Fe Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Fe Y


species: S Zn

species_pp: S Zn

crystal_class_orig: ditrigonal-pyramidal

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

crystal_class: ditrigonal-pyramidal


species: Li Mn


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Bi Cs

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Co Cr

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Bi O

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m m


species: Er I

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i

Wyckoff_letters: i i i

Wyckoff_letters: a i i i


species: Mo Rh

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K Mg


species: As Pd

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a c c c c

Wyckoff_letters: g j i i


species: F Mn

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ni O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


species: C Fe

Wyckoff_letters_orig: e h h i

Wyckoff_letters: e h h i


species: Ru Sc

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O


species: Se Zn

species_pp: Se Zn


species: Mo O


species: V Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c


species: O Sn

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe Re


species: Nb O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cd V


species: Cr Os


species: Br Ca

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Li O

crystal_class: hexagonal-trapezoidal


species: O Ti


species: Nb Y

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu Ru


species: Cu V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl I

species_pp: Cl I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: F V

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Pt Ru


species: I Mg


species: Cu F


species: H Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe O

crystal_class_orig: trigonal-trapezoidal


species: I Ti

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: c f f

Wyckoff_letters: c f


species: H Zr

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: O Re


species: Mn S


species: I Mn

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b b b

Wyckoff_letters: b b


species: C Zr

Wyckoff_letters_orig: h i j j

Wyckoff_letters_orig: g g i i j j

Wyckoff_letters: h i j j

Wyckoff_letters: g g i i j j


species: As Nb

crystal_class_orig: ditetragonal-pyramidal


species: Mn Pd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: K Li

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


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Li Ti

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu Se

crystal_class: tetragonal-trapezoidal


species: Cr Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Zn

crystal_class_orig: gyroidal

crystal_class: gyroidal


species: Tc Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ir Os


species: S Zn

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Ti V

crystal_class: ditetragonal-dipyramidal


species: Sc Ta


species: Cr Zn

crystal_class: dihexagonal-dipyramidal


species: K Mg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O

crystal_class_orig: hexagonal-trapezoidal


species: F Sr

sg:
Pbcn #60
Pbcn #60
Cmce #64

sg2:
Pbcn #60
Pbcn #60
Cmce #64

Wyckoff_letters_orig: d d


species: O Sr


species: Re V

crystal_class_orig: ditetragonal-dipyramidal


species: La Pt

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca Mg

crystal_class: ditrigonal-scalahedral


species: Fe I


species: Ru Sc


species: Co O


species: O Zn

species_pp: O Zn


species: Cr Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Se Zn


species: Ca F

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Nb O

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c

crystal_class: tetrahedral

Wyckoff_letters: a b c


species: Cd Y

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: H S

species_pp: H S

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c d

Wyckoff_letters: c c c


species: Cr F

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i j

Wyckoff_letters_orig: i i i j j j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j

Wyckoff_letters: i i i j j j


species: F Fe

Wyckoff_letters_orig: a g

Wyckoff_letters: a g


species: O V


species: Ni O

Wyckoff_letters_orig: d c


species: Mn O


species: Co F

species_pp: Co F


species: Sn Te

species_pp: Sn Te


species: C O

species_pp: C O


species: F Zn

species_pp: F Zn

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b

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

Wyckoff_letters: c c c c b


species: Mn Rh

Wyckoff_letters_orig: a d


species: Ca O

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: d a


species: Fe Li

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d


crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cu O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Bi Cs


Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Li Ti


species: Cr Sc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Sn

species_pp: Pt Sn

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Pb Te


species: Hf Ru


species: I O

species_pp: I O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c c c


species: I Y

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Li Tc

crystal_class_orig: ditrigonal-scalahedral


species: Li Ni


species: Mn O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b c


species: Ru W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Ti


species: Li Mg


species: Ta W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

species_pp: Cd O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

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

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

crystal_class: monoclinic-domatic

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

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


species: Cd Sc


species: I Ti

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: O W

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: g h

Wyckoff_letters: g j

Wyckoff_letters: g h


species: Se Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Nb O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Rh Zr


species: F Mn


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: Hf Ru

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Li Mn


species: Hg Ta


species: O Ti


species: O Os

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: O Ta

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: Cu O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: Mn Pt

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

crystal_class: tetragonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: b b b b


species: W Y

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ge S

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Mn V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu K


species: I Ta


species: O Rb

sg2:
Cmcm #63
Cmcm #63
I4/mmm #139


species: Co Cr


species: Co Ni


species: Co Zn

species_pp: Co Zn


species: Cr Cu

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cr Mo


species: Cr Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Fe Zn


species: Mn W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ti

sg:
Pnma #62
Pnma #62
Cmcm #63

sg2:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c d

Wyckoff_letters: a g


species: Ti W


species: Ti Zn


species: V W

sg:
Pnma #62
Cmcm #63
Cmcm #63


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Cu

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Fe


species: Cr W


species: Cu Mn


species: Cu Mo

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mo W


species: Ni V


species: V Zn


species: W Zn


species: Cl Nb

Wyckoff_letters: c d


species: Hg Li


species: Hg K

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Hg S

species_pp: Hg S


species: Cs K

Wyckoff_letters_orig: a h

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Cs Mg

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: K Nb


species: Li Rb


species: Mg Ta


species: Pb Ta

Wyckoff_letters: c c


species: Rb Ta


species: O Pb

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: F Pb

Wyckoff_letters_orig: c c


species: Dy Mn


species: Ce Zn

species_pp: Ce Zn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: b c d

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c b d

Wyckoff_letters: a a


species: Cl Pb


species: Dy Yb


species: Er V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Gd Pr

species_pp: Gd Pr

crystal_class: ditetragonal-dipyramidal


species: Ho Zn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: a c


species: Nd Zn

species_pp: Nd Zn


species: Ni Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Tb V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ag I

species_pp: Ag I


species: I Ni


species: I Pb


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