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

Wyckoff_letters_orig: a a a a

crystal_class: triclinic-pedial

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

Wyckoff_letters: a a a a


species: Cl Mg

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

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: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

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


species: Cl K

Bravais_lattice_orig: TET

lattice_variation_orig: TET

lattice_system_orig: tetragonal

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

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: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

aflow_prototype_params_list_orig: a c/a


species: Fe Tb

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: V Yb

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_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 Pr

species_pp: O Pr

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h

Wyckoff_letters: a h


species: Cu Ho


species: Dy Fe

Bravais_lattice_orig: BCT

Bravais_lattice_relax: BCT

Bravais_lattice_lattice_type_orig: BCT

reciprocal_lattice_type_orig: BCT

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT


species: Dy Ti

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_system_orig: cubic

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral


species: Gd Mn

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Mn Yb

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral

reciprocal_lattice_type_orig: RHL

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL


species: Cl Ta

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: Mg Nb


species: Cr Tb

Egap_DOS_type: metal


species: Cu Yb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_relax: a c/a


species: Er Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Ho


species: Nd V


species: Ni Pm


species: Al I

species_pp: Al I

Egap_DOS_type: insulator

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: I In

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Mn


species: Cd Mo

crystal_class_orig: ditrigonal-dipyramidal

aflow_prototype_params_list_orig: a c/a x3


species: Hf Mo

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: La Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Y Zr

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: Au La

species_pp: Au La

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


species: Co Ta

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: c i

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

Wyckoff_letters: b f

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

aflow_prototype_params_list_relax: a b/a c/a x3


species: Os Ru


species: Tc Zn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Cu La

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Fe Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Re


species: Fe Mo


species: Cd Sc


species: Co Re

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe Rh


species: Fe Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Hg


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

sg2:
Cc #9
Cc #9
Cm #8

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_type_orig: polar

Bravais_superlattice_lattice_type_orig: MCLC

crystal_class: ditrigonal-pyramidal

point_group_type: polar

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Cr I

Bravais_lattice_relax: MCLC

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

Wyckoff_letters: a c c


species: Fe I

crystal_class_orig: tetragonal-trapezoidal

point_group_type_orig: enantiomorphic

crystal_class: tetragonal-trapezoidal

point_group_type: enantiomorphic


species: I K

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


Wyckoff_letters_orig: h k

Wyckoff_letters_orig: a b

Wyckoff_letters: b e


species: I Li

crystal_class_orig: orthorhombic-pyramidal

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_class: dihexagonal-pyramidal


species: I Mg

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: I Ni


species: Be I

crystal_class_orig: ditrigonal-pyramidal

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

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

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

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


species: I Si

species_pp: I Si

Wyckoff_letters_orig: k k l

Wyckoff_letters: k k l


species: I Zr

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ag I

species_pp: Ag I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a


crystal_class: orthorhombic-pyramidal


Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

crystal_class_orig: orthorhombic-bipyramidal

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

aflow_prototype_params_list_orig: a b/a c/a


species: Cd I

species_pp: Cd I


species: I Sb

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Ba I

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: I Pb


species: Ir Mo

crystal_class_orig: ditetragonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I Zn


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ga I

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f


species: I Sr

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: La Mo

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni Pd

crystal_class: ditrigonal-dipyramidal


species: Pt Y

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

crystal_class: hexoctahedral


species: Sc W

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

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Ag Os

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: Au La

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF


species: Ho V

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Ru


species: Au V


species: Hg Re


species: Fe Rh

crystal_class: ditetragonal-dipyramidal


species: Ta Zr


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hf Ta


species: Mo Nb

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ag S


species: Nb W


species: Nb Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Sc


species: Hf Mn


species: Au Cr


species: La Ru


species: Mn Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Mo Tc

crystal_class_orig: ditrigonal-dipyramidal

aflow_prototype_params_list_relax: a c/a x3


species: Mn Y

crystal_class: ditrigonal-scalahedral


species: Hg Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ag Nb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: I V

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


species: O Zn

species_pp: O Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

crystal_class: monoclinic-prismatic

reciprocal_lattice_type: MCLC

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: Ca V


species: Cd Hg

species_pp: Cd Hg


species: Li Mn


species: Cr Sc

crystal_class_orig: hexoctahedral


species: C Mo


species: Ni O


species: Ca Li


species: Ge Pt

Wyckoff_letters_orig: g h i

Wyckoff_letters: h a


species: Cr Li


species: F N

species_pp: F N


species: Cr V


species: Cr O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cu Nb


species: F Ni


species: O Tc

Wyckoff_letters_orig: a a

Wyckoff_letters: d d


species: O Rh


species: Cl O

species_pp: Cl O

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Fe Mg


species: O Pt

species_pp: O Pt


species: Ag Ni


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Ni Ti


species: O Zr

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: a b

Wyckoff_letters: a e

Wyckoff_letters: a b


species: Li Tc


species: Pd Ti


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Cu


species: Mn Pt

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O W


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe Zn


species: I Mg


species: Fe Ti


species: Fe O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i i

Wyckoff_site_symmetries: 2/m m m

Wyckoff_site_symmetries: 2/m m m m


species: Ca Co


species: Ca Cr


species: O Y


species: O Pr


species: Ni O

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


species: Bi H

sg:
Pnma #62
Pnma #62
Pmmn #59


species: O Sr


species: O Tc

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: F Ti

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Ga N

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ir Zr


species: Ir O

species_pp: Ir O


species: C Fe

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: b c i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: b c i i i


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: Co F

species_pp: Co F


species: Au La


species: I Tc


Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Li Ni


species: Ca Cu

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: K Si

Wyckoff_letters_orig: e i

Wyckoff_letters: c g


species: Ca Fe


species: Br Ca


species: Co O

species_pp: Co O

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: d i

Wyckoff_letters: d i


species: Fe W


species: Ca Mn


species: Ni O

Wyckoff_letters_orig: e e


species: Mg S


species: Ga Mo


species: Pr Sn

species_pp: Pr Sn

Wyckoff_letters_orig: a c h

Wyckoff_letters: a c h


species: Nb O


species: F Mn

Wyckoff_letters: c c


species: Hf Ru

Wyckoff_letters_orig: c c


species: Re Ti


species: Cu Mg


species: Ag Pd

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Rh Sc


species: Pt Zn

species_pp: Pt Zn


species: Co Li

Wyckoff_letters_orig: c g


species: Sc Te


species: S Zn

species_pp: S Zn

Wyckoff_letters_orig: a a a b b b b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a a b b b b b


species: K Li


species: F V

Wyckoff_letters_orig: i i i i i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i i i i i

Wyckoff_letters: i i


species: O W


species: Gd In


species: O Si

species_pp: O Si


species: Ge Mn

Wyckoff_letters_orig: a c b d

Wyckoff_letters_orig: a c b d d d d

Wyckoff_letters: b a c

Wyckoff_letters: b a c c c c


species: P Ru

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i i i i

Wyckoff_letters: a i


species: Cr Sc


species: Ca Tc


species: O Zr

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e f

crystal_class: trigonal-trapezoidal

Wyckoff_letters: d e f


species: O Sr

Wyckoff_letters_orig: h r

Wyckoff_letters: h r


species: Cd O

species_pp: Cd O


species: Ag Ni


species: Ga Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr O

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a a a a


species: Bi O


species: F Zn

species_pp: F Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Cd Zr


species: F Ni


species: Ca F

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters: f f


species: Hf Mn


species: Mo O

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


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


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: i i i i

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: F Mg

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


sg:
Pbcn #60
Cmcm #63
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

crystal_class_orig: orthorhombic-bipyramidal


species: Co O

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Sc Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Li

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Sc Tc


species: Li Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Sr

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c


species: Ge H

Wyckoff_letters_orig: c c f

Wyckoff_letters: c c f


species: F Fe


species: I Pt

species_pp: I Pt

Wyckoff_letters_orig: b b b b

Wyckoff_letters: b b b b


species: Fe O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Dy


species: Li Ti

crystal_class_orig: ditetragonal-dipyramidal


species: I Mg


species: Cr K

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ca O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: O Os


species: In Te


species: Ag Pt

species_pp: Ag Pt


species: Ca Cr

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Au Pt

species_pp: Au Pt


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Ca Co

Wyckoff_letters_orig: a f


species: I Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I V


species: Cu Zn

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a b/a c/a


species: Ir Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Eu O

species_pp: Eu O


species: Nb V


species: Sn Te


species: I Ta


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Li Pb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: O Ta

Wyckoff_letters: a d

aflow_prototype_params_list_orig: a b/a c/a x3


species: Co Cr


species: Cu Fe

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cu V

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Fe Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe W


species: Mn Zn


species: Mo W


Wyckoff_letters_orig: a d


species: Mo Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co V


species: Cr Cu


species: Cu Ni

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu W


Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Fe Ni


species: Mn Mo


species: V W

crystal_class: hexoctahedral


species: Ca Cl

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl Nb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Hg Ho


species: Hg K

crystal_class: dihexagonal-dipyramidal


species: Hg In


crystal_class: ditetragonal-dipyramidal


species: Ca Cs


species: Ca Rb


species: Li Nb


species: Mg Ta


species: Nb Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Nb Rb


species: Pb Ta


species: Hg Li

Wyckoff_letters: c e d


species: O Pb


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nd Tb


species: Ce Pm

species_pp: Ce Pm


species: Co Pr

species_pp: Co Pr


species: Nd Ni


species: Cl Nb

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


species: Cl Pb

crystal_class: diploidal


Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Cu Ho


species: Mn Tb


species: Ce Eu

species_pp: Ce Eu


species: Ce Pr

species_pp: Ce Pr


species: Cr Dy


species: Dy Ti


species: Er V


species: Ho Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pm V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd I

species_pp: Cd I


species: Cs I


species: Au Ir

species_pp: Au Ir

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu Tb

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Tc


species: Os Ru


species: Ru W


species: Ta Ti


species: Cr Rh


species: Hg Os


species: Ir Nb


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Pt

species_pp: Ir Pt


species: Mn Os


species: Os Rh


species: Hf Re


species: Mn Pd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Rh V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Hf Sb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: W Zr


species: Hg Pd

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu Hg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hf Mn


species: Mo Y

Wyckoff_letters_orig: a d


species: O Zr

Wyckoff_letters_orig: c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: Y Zr


species: Al O

species_pp: Al O

crystal_class: monoclinic-prismatic


species: Ag Zn

species_pp: Ag Zn


species: Cd V


species: Hf Pd


species: Ir Nb


species: Cu Nb


species: Co I

species_pp: Co I


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a d g h


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

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


species: I K

Wyckoff_letters_orig: n m

Wyckoff_letters_orig: b c


species: I Mg


species: I Ni


aflow_prototype_params_list_orig: a b/a c/a beta y2

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: I Zr

Wyckoff_letters_orig: a c


species: I In

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Hg I

species_pp: Hg I

crystal_class_orig: ditrigonal-scalahedral


species: I Pb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ir Re

crystal_class: tetrahedral


species: Ir Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cu I

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a g

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a g


species: I Zn

species_pp: I Zn

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ga I

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: I Sr

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Rh Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Mn


species: Au Mo


species: Cu Ge

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sc Tc

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nb Pt

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pd Ru


species: Ru Zr

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Sc Zr


species: Cr Tc


species: Sc Zn


species: Ta W

crystal_class_orig: ditrigonal-dipyramidal


species: Hf Pd

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Au Zr

crystal_class_orig: tetrahedral


species: Hf Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf V


crystal_class_orig: hexoctahedral


species: Hf Mo


species: Mo Nb


species: Nb Zr

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ag Pd


species: Cr Hg


species: Ir Tc


species: Mo Sc


species: Ir Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ni Y


species: Gd Ni


species: Cu Ru


species: Ce Dy

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu Tc


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: F Mn

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: e g


species: O V

sg:
Pmmn #59
Pmmn #59
I4/mmm #139


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: O Sc

sg2:
Pbca #61
Pbca #61
I4/mmm #139


species: Bi Th


species: Ca Li


species: O Ru

crystal_class: hexoctahedral


crystal_class_orig: orthorhombic-pyramidal


species: O Rh


species: O Zr

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Ba Ge

crystal_class_orig: orthorhombic-bipyramidal


species: Ni Sc

crystal_class: dihexagonal-dipyramidal


species: Fe Mg

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h i


species: Os Sc


species: Co Hg

species_pp: Co Hg


species: I Zn


species: Nb Ti

crystal_class_orig: diploidal


species: Cd O

species_pp: Cd O


species: Ca Ti


species: F V

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Pb Pd


species: F K


species: Pd Zn


species: O Re

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: b a e e e

Wyckoff_letters: e e


species: Ta W


species: Pb Se

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: La Ta

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Os Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Mn


species: Ca Ni

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: Ni Pr


species: Mg O

Wyckoff_letters_orig: c e j

Wyckoff_letters: c e j


species: Fe Mo


crystal_class: ditrigonal-dipyramidal


species: Ge Sn

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f

Wyckoff_letters: f f


species: Pd Ta


species: Co Fe


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: I Tc

Wyckoff_letters_orig: c f


species: Co K


species: Pb Te

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


species: Cd Co

species_pp: Cd Co


species: Nb Ti

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a c


species: Mn O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Ca Cl

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Li Mg

Wyckoff_letters_orig: h i


species: Ca Li


species: Fe Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e


species: Pb Se


species: Bi Ti


species: Cr Hf


species: La O

species_pp: La O


species: Cd Ti

crystal_class: diploidal


Wyckoff_letters: c f


species: Bi O

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: O Ti


species: Fe Li


species: Fe Ge


species: Ba Pd


species: Nb O


species: O Yb

species_pp: O Yb


species: B Ta

Wyckoff_letters_orig: a h


species: Ca Cu


species: Li Mn


species: Li Ni


species: Co Zn

species_pp: Co Zn


species: Cr F


species: O Tc


species: Mg S

crystal_class_orig: tetragonal-dipyramidal


species: O Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: F Ti

sg:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters: c c c


species: Cr Cu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Mg

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: I Mg


species: Li Tl

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Mg O


species: N V

Wyckoff_letters_orig: a c


species: Au Pt

species_pp: Au Pt


species: O Tl

crystal_class_orig: ditrigonal-pyramidal


species: F Mg

Wyckoff_letters_orig: c c c


species: F Zr


Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: B Cr


species: O Tc


species: O Tb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Co


species: Ag Cd

species_pp: Ag Cd


species: Fe Li


species: Ir Ta


species: Co O

species_pp: Co O


species: F Sn

species_pp: F Sn


species: I V


species: K Li


species: Ag Ni

Wyckoff_letters_orig: c f


species: Ni Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: C Li

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: f i

Wyckoff_letters: f i


species: Cu 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: Nb O


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ho O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b c


species: Hg Nb

crystal_class_orig: hexoctahedral


species: Li Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Y


species: Mn O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e

crystal_class: tetragonal-scalenoidal


species: F Fe

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: Ta Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd O

Wyckoff_letters_orig: c c c c c

Wyckoff_letters: c c c c c


species: Bi Se

Wyckoff_letters_orig: c d f

Wyckoff_letters_orig: g g g

Wyckoff_letters: c d f

Wyckoff_letters: g g g


crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Cr Mg

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Tc


species: O Sc

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: O V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni O

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47


species: I Nb

Wyckoff_letters_orig: c g i i j

Wyckoff_letters_orig: d i

Wyckoff_letters: c g i i j

Wyckoff_letters: d i


species: Si Sr

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

crystal_class: gyroidal

point_group_Schoenflies: O


species: Cd F

species_pp: Cd F

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Fe Mg


species: O Sr

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Pb


species: Mg Pb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: O Rb

crystal_class: hexoctahedral


species: Mo Ti


species: Ti W


species: Co Cu


species: Co Fe


species: Co Mn


species: Co Ni


species: Co W

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr Ti


species: Ti Zn


species: Co Cr


species: Co V


species: Cr Mn

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Ni


species: Fe Mn


species: Fe Ti


species: Fe W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pb


species: Hg Ho

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg Rb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ca Ta

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K Rb


species: K Ta


Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Rb


species: Li Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nb Pb


species: Pb Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cl Mg

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Hg K

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

sg2:
Pnnm #58
Immm #71
Immm #71


species: O Yb

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr Er


species: Co Eu

species_pp: Co Eu

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Pr


species: Ce Ni


species: Cl Pb

Wyckoff_letters_orig: c d d d d

Wyckoff_letters_orig: a c d

Wyckoff_letters: c d d d d

Wyckoff_letters: a c d


species: Gd V


species: Ce Cr


species: Ce Cu

Wyckoff_letters: c d e


species: Ce Er

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Dy Ni

Wyckoff_letters_orig: a d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a d


species: Dy Pr


species: Fe Ho


species: Gd Pm

species_pp: Gd Pm


species: Pr Tb


species: Cr I

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a


species: Co I

species_pp: Co I

crystal_class_orig: ditrigonal-scalahedral


species: I Pb


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Si

species_pp: I Si

crystal_class_orig: diploidal


species: Ag V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Au Mn


species: Cd Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Rh Tc

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cd Ti

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pd Zn


species: Ir Mo


species: La Zr


species: Ni Os


species: Rh Zn

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Cd Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Mo

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf Hg

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Nb


species: O Pt

species_pp: O Pt


species: Fe Zr

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


species: Os Ru


species: Ta V


species: Ag Au

species_pp: Ag Au


Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Mg O


species: Co La

species_pp: Co La

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Pd Rh


species: Re Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i


species: Co I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Fe I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


sg:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd I

species_pp: Cd I


sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Sb

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: I Pb

crystal_class: tetrahedral


species: Cu I

crystal_class_orig: hexoctahedral


species: I Sr


species: Cd Fe


species: Bi Cs


species: Cr Ru


species: Hf Mn


sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Fe Sc

Wyckoff_letters: a e


species: Tc V

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co Rh


species: Cr Hg

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Nb Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta W


species: V Y

Wyckoff_letters: c e d


species: Fe Si

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: b e i i i

Wyckoff_letters: b a n f

Wyckoff_letters: g e

Wyckoff_site_symmetries: mmm mmm ..m 2mm


species: Mo Rh


species: Pd V

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

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Hf Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Nb


species: Hf Nb


species: Hf V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Y


species: Nb W

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ti Zr


species: Au Cd

species_pp: Au Cd

sg:
Pnnm #58
Immm #71
Immm #71


species: Cr Re


species: Au V


species: Co Gd

species_pp: Co Gd


species: Pd Zn


species: Hg V

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cr F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Pb Se

crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: H I

species_pp: H I


species: Fe Ir


species: Ni O


species: I Nb

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

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

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


species: Co Pd


species: Hf Nb


species: O Ti


species: F Fe

Wyckoff_letters_orig: e e e

Wyckoff_letters: f c


species: O Sn

species_pp: O Sn


species: I O

species_pp: I O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Zr


species: Cd V

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: I Ti

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu O

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Hg Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Pb

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Li Mn


species: Co Zr


species: O Sr

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: I K


species: Mn O

crystal_class_orig: orthorhombic-pyramidal


species: Mg Te

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Hf O

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li V

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: c g


species: Ge O

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: Sc Ta


species: I Tc

Wyckoff_letters: c d


species: Li Zn


species: O Zn

species_pp: O Zn

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 b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: F Ni

Wyckoff_letters_orig: e e


species: Cd Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Re Zn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ca Mg

crystal_class: orthorhombic-bipyramidal


species: Fe O


species: Hg Os

crystal_class_orig: ditetragonal-dipyramidal


species: Au Nb

crystal_class_orig: ditrigonal-scalahedral


species: O Sc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co W


species: Cr F


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: B W


species: O W


species: Mg O

crystal_class: hexoctahedral


species: As Cr


species: Li Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: F Ta


species: C N

species_pp: C N

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: a a a a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: a a a a b b


species: Li Zn


species: Cl Li

Wyckoff_letters_orig: b b c a a a

Wyckoff_letters: b b c a a a


species: F V


species: Rh Ta


species: Mn O


species: Cr O

Wyckoff_letters_orig: c d


species: Fe Ru

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: F Fe

Wyckoff_letters_orig: c c


species: Co Mn


species: B H

Wyckoff_letters_orig: a a b b b b

Wyckoff_letters: a a b b b b


species: Co K

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Ta

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Ti

Wyckoff_letters: c c


species: O Pd

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: a e f f f

Wyckoff_letters: f f


species: Fe Sc


species: Fe V


species: I Tc

Wyckoff_letters_orig: e e


species: O Sr

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a


species: F Mn

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Ti Y

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal


species: Hf Nb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: O Zr

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Nb O

Wyckoff_letters_orig: b g


species: Ca K


species: O W

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Ca Mg


species: Mn Ti


species: Rh Ti


species: O Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Zn


species: H Ni


species: La Tc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: I Mn


species: Ni O

Wyckoff_letters_orig: a b


species: Fe Zn


species: Cd F

species_pp: Cd F

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: P Pd

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mn Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: F Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Ti


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Hg Mn

Wyckoff_letters_orig: c c


species: Nb Ti


species: Fe O


species: Li Zn

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O V

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b h

aflow_prototype_params_list_relax: a c/a z4


species: Ca K

crystal_class_orig: hexoctahedral


species: Cu O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Co Cu


species: Mn Sc

crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Cd Fe


species: C Ru

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a


crystal_class: monoclinic-prismatic


species: Ca F

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


species: Ir O

species_pp: Ir O


species: Fe Zn


species: K Li

Wyckoff_letters: c c


species: O W

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e


species: I Mn

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Hf Rh

Wyckoff_letters_orig: a c


species: Nb Zn


species: I O

crystal_class_orig: monoclinic-sphenoidal

crystal_class: monoclinic-sphenoidal


species: Nb Sc


species: Ba Sn


species: O Zn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: O Rh

crystal_class_orig: orthorhombic-pyramidal


species: Cu F

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Li Tc


species: Cd V


species: O Ti


species: Ba C


species: O Pb


species: O Sn


species: O Ta

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pb Rb

Wyckoff_letters: a c


species: Ti W

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Co Cu


species: Co Fe


crystal_class: tetrahedral


species: Co Mo

Wyckoff_letters_orig: a d


species: Cr Mn


species: Cu Mn


species: Fe Mn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Fe Ni


species: Fe V


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co Ti


species: Cr Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr W


species: Cu Zn


species: Mn V


species: Ca Hg


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ca Cs


species: Ca Nb

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Li Nb

Wyckoff_letters: a d


species: Mg Ta

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c


species: Nb Pb


species: Hg Li

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ca Cl


species: Cl Rb


species: O Pb

Wyckoff_letters_orig: e e e e e e e

Wyckoff_letters_orig: a e e e

Wyckoff_letters: e e e e e e e

Wyckoff_letters: a e e e


sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Cl Pb


species: Eu O

species_pp: Eu O


species: Fe Ho


species: Sm Zn

crystal_class_orig: dihexagonal-dipyramidal


species: Dy Tb

crystal_class_orig: ditetragonal-dipyramidal


species: Pm Ti

crystal_class_orig: ditrigonal-scalahedral


species: Cl Mg


species: Gd V


species: Ce Co

species_pp: Ce Co


species: Cr Eu


species: Cr Pr


species: Cu Er


species: Cu Ho

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho Nd

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ho Pr


species: Pr Ti


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg I

species_pp: Hg I


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Fe


species: Co Rh


species: Cu Os

Wyckoff_letters_orig: a c


species: Hf Ir


species: Mo Rh


species: Os Zr


species: Ru Tc


species: La Zr


species: O Si

species_pp: O Si

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j k l l

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j k l l


species: Ir Rh

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ni Ru


species: Os W

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hf Os


species: La Zn

species_pp: La Zn


species: Au Zr


species: Cu Sc


species: Ag Zr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pt V

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ru Zr


species: Cd V


species: Cr Pt


species: Ca I

crystal_class_orig: tetragonal-trapezoidal


Wyckoff_letters: a c


species: Co I

species_pp: Co I

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Cr I


crystal_class_orig: ditrigonal-dipyramidal


species: Fe I

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


crystal_class_orig: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a beta


species: I K

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: I Li

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Mg

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: I Ni


crystal_class_orig: monoclinic-domatic

crystal_class: hexoctahedral


crystal_class: orthorhombic-pyramidal


species: I Si

species_pp: I Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Rb


species: Cd I

species_pp: Cd I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: Hf Mn

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Hf Y

crystal_class_orig: hexoctahedral


species: Nb V

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ta Y


species: Cu I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d

crystal_class: ditetragonal-dipyramidal


species: I Sr

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

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


species: Au Zn

species_pp: Au Zn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Ir

species_pp: Cd Ir

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Cr Sc

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Re

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: La Sc

crystal_class: dihexagonal-dipyramidal


species: S Si

species_pp: S Si

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Mn Re

crystal_class: ditrigonal-scalahedral


species: O Os

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Ag Re


species: La Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Tc


species: Ta Zr


species: Nb Sc


species: Pt V


species: Mo Y

crystal_class_orig: ditetragonal-dipyramidal


species: Nb Se


species: Ru Zn

Wyckoff_letters_orig: b f


species: Cu Ru


species: Nd Ti


species: Ni Zr


species: Hf Ta


species: Mo Ta


species: Ta W

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au La

species_pp: Au La

crystal_class_orig: ditrigonal-scalahedral


species: Nb Ta


species: Nb V


species: Os Re

crystal_class_orig: diploidal


species: Ag Ta


species: Fe Y

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cu Hf


species: Mn Pd

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ru Ta


species: Nd Yb

species_pp: Nd Yb


species: Co Ni


species: O V

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ca Ga


species: Bi O


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Ba Ge

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c c d f

Wyckoff_letters: a b c c d f


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co Li


species: Ca Si


species: Cu O

Wyckoff_letters_orig: a c f l

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a c f l


species: Co K


species: Nb W


species: Li Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: C W


species: Ca Cr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sn Te

species_pp: Sn Te

sg2:
Cc #9
Cm #8
Cm #8


species: O Ta

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Mg

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: P Ru


species: Fe K


species: O Ti

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: I V

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


species: I Mn


species: F Ga


species: Pb Se

crystal_class_orig: trigonal-pyramidal


species: Ag Bi


species: Fe V


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru V


species: Ca Zn


species: S Sn

species_pp: S Sn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Ru Te


crystal_class: tetrahedral


species: Ca Cr


species: O Rh


species: O Tc


species: O Os

Wyckoff_letters: a c c


species: Li Mg


species: Cr O

sg:
Pnma #62
Cmce #64
Cmce #64

Wyckoff_letters_orig: c c


species: Ni O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: O Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Al Mn


Wyckoff_letters: c c


species: Fe Ni

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cd F

species_pp: Cd F


species: O Zr

Wyckoff_letters_orig: c c d e

Wyckoff_letters: g h f e


species: Nb O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Cu Se

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Li Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Mn Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O V

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Ni S

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: B Mo


species: Ca Ti


species: Li V


species: I Tc

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O Re

Wyckoff_letters_orig: e f

Wyckoff_letters: e a


species: Co Li

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Os


species: F Zn

species_pp: F Zn

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: Os Tc


species: Ca Co


species: F V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Ru

Wyckoff_letters_orig: a e f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: c e f f f

Wyckoff_letters: f f


species: Ru Sn


species: O W


species: Mg O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Fe Ti


species: O Zn

species_pp: O Zn

crystal_class_orig: triclinic-pedial

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

crystal_class: triclinic-pedial

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


crystal_class: diploidal


species: I Nb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo O

crystal_class: trigonal-pyramidal


species: Cr O

Wyckoff_letters_orig: d d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d d


species: Cu Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Tc


species: Co F

species_pp: Co F


species: Co N

species_pp: Co N


species: Ir O

species_pp: Ir O

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Mg Se

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c e j

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: c e j


species: O Tc

Wyckoff_letters_orig: e f f

Wyckoff_letters_orig: a f

Wyckoff_letters: e f f

Wyckoff_letters: a f


species: O Ti

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ta Ti


species: O Rh


species: Mn Zn


species: O Sn

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

Wyckoff_letters_orig: f g g g g

Wyckoff_letters: a e g g g g g g g g

Wyckoff_letters: f g g g g


species: Zn Zr


species: I Ti

Wyckoff_letters_orig: e e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g b


species: Be Pd


crystal_class_orig: orthorhombic-bipyramidal


species: Mn O


species: Al H

species_pp: Al H

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: C Pr

species_pp: C Pr


species: Fe Li

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: O Zr


species: Ni O

Wyckoff_letters_orig: d h

Wyckoff_letters_orig: g h

Wyckoff_letters: d h

Wyckoff_letters: g h


species: F Mg

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: I Mn

Wyckoff_letters_orig: e e


species: O Ta

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b b

Wyckoff_letters_orig: a a

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b b

Wyckoff_letters: a a


species: Re Ti

crystal_class_orig: ditetragonal-dipyramidal


species: Ir Mo


species: Ir O

crystal_class_orig: hexagonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: hexagonal-pyramidal

Wyckoff_letters: a a a


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: a d g h


species: Mg Nd


species: O Os

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mg O


species: Li Ti


species: Ir W

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: O Tc

crystal_class: hexagonal-trapezoidal


species: Bi Ti


species: La V


species: Ca Ni

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Cr Rh


species: I V


species: Ca Cr


species: Cr Cu

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Mn O


species: Au La

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ir 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: Cd Nb


species: O Zr

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: c b


crystal_class: monoclinic-prismatic

Wyckoff_letters: a e

Wyckoff_letters: e e


species: Hg Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Fe K

sg:
Pnma #62
Pnma #62
Imma #74


species: Li Zn


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr F


species: Al Cs


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: Ir Sc

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Ag Zn

species_pp: Ag Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mo O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: e e e e e

Wyckoff_site_symmetries: m m m m m


species: Ca Cu

crystal_class_orig: diploidal


species: Pd Pt


species: Tc W


species: Cs Pb


species: O Rb


species: Co Mn


species: Mn W

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


species: Ti W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Mn


species: Fe Mn


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Mo


species: Mn Zn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Co Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Cr Ti

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cu W


species: Mn Ti


species: Mn V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: h i


species: Mo Ni


species: Mo Ti


species: Mo V


species: Ni V


species: Ni W


species: V W


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Mg


species: Hg Ho


Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Hg K

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg Li

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg Rb


species: Ca Nb


species: Cs K


species: Li Nb


Wyckoff_letters_orig: b d


species: Nb Pb


species: Cr Dy


species: Cu Sm


species: Cu Dy

Wyckoff_letters: c d e


species: Fe Pm


species: O Pb

crystal_class_orig: monoclinic-prismatic

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

Wyckoff_letters_orig: f g g g g

Wyckoff_letters: a e g g g g g g g g

Wyckoff_letters: f g g g g


sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Cr Ho

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Eu


species: Ce Nd

species_pp: Ce Nd


species: Co Pr

species_pp: Co Pr


species: Co Sm


species: Dy Fe


species: Er Pr


species: Eu Ni

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Gd V


species: Mn Yb


species: Sm Tb


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: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Ag I

species_pp: Ag I


species: Co I

species_pp: Co I


species: Cd Os

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Fe Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Y


species: Nb Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ni Ru


species: Hg V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ti Zr


species: Mo Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr Hf


species: Ir Ru


species: Pt V

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: La Ru

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Re

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Y

Wyckoff_letters_orig: b c c

Wyckoff_letters: b c c


species: Pd Zr


species: Co I

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cr I

crystal_class: orthorhombic-bipyramidal


species: I K

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


crystal_class: hexoctahedral


species: I Ni

sg:
Pnma #62
Cmcm #63
Cmcm #63


species: Be I


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: Ba I


species: I Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Ni

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ca Cu


species: Nb Zr


species: I Zn

species_pp: I Zn


crystal_class: ditetragonal-dipyramidal


crystal_class_orig: hexoctahedral


Wyckoff_letters_orig: a e

Wyckoff_letters: a e


sg:
Amm2 #38
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c c d e

Wyckoff_letters: n e h


species: Ga I


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Co Hg

species_pp: Co Hg


species: Ti Y


species: Ni Ru

crystal_class: diploidal


species: Pt Tc


species: Co Hf

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Cd Os


species: K O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: a b

Wyckoff_letters: h k


species: O Tm

species_pp: O Tm


species: Mo Re

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ag Cr


species: Cd Ti


species: Fe Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ir Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ta Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ce Fe


species: Cu Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cu Pd


species: Nb Ti

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Nb W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ta V


species: Ta W


species: Hf Ta


species: Nb Zr


species: Ag Pd


species: La Mo


species: Cr Ir


species: Ag Sc


species: Ag Se


species: Fe Nb

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co La

species_pp: Co La


species: Li Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cr O

sg:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Hg

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

Wyckoff_letters_orig: b l


species: O Zr

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: c b


species: Au Y


species: Ca K


species: Re Zn


species: Co O


species: B N

crystal_class: dihexagonal-pyramidal


species: Fe Pd


species: Ca O

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: Cr Mo

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Cu Mg


species: Li Mn


species: Ce Ir

species_pp: Ce Ir

Wyckoff_letters_orig: c e


species: As V

Wyckoff_letters_orig: b k

Wyckoff_letters: b k


species: Au Sc


species: C Si

species_pp: C Si

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


species: Sb Ta


species: Ho O

Wyckoff_letters_orig: a d


species: Ga Mn


species: I Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: F Zn

species_pp: F Zn


species: I V


species: La Pd

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Fe O

sg:
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

Wyckoff_letters: a a a a a a a

Wyckoff_site_symmetries: m m m m m m m


species: Br S

species_pp: Br S


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal


species: O Tb

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

Wyckoff_letters_orig: a i i i i i

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

Wyckoff_letters: a i i i i i


species: F Mg


species: Ag Eu

species_pp: Ag Eu

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: Fe Ta


species: Li V


species: H S

species_pp: H S


species: F Ni

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b

crystal_class: rhombohedral

Wyckoff_letters: a b


species: Mo Zr

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Bi O

Wyckoff_letters_orig: c c


species: F Fe

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: i i

Wyckoff_letters: a c


species: O V

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: Ca Ni


species: Cr O

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Ti


species: Mn W

crystal_class: ditrigonal-scalahedral


species: Ca F


species: Ca Cr


species: Hf La


species: Ni V

Wyckoff_letters_orig: a h


species: Cd Zr


species: Cd Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Zn

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: F Ti

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e


species: I Nb

Wyckoff_letters_orig: g i i

Wyckoff_letters: g i i


species: I Mn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f


species: Co O

species_pp: Co O

sg:
Immm #71
Immm #71
Immm #71

Wyckoff_letters: a e


species: Mg O


species: O Zr

Wyckoff_letters_orig: a a


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


species: Mo Ta

crystal_class_orig: dihexagonal-pyramidal


species: I W

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

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i i i i i


species: Cu Y


species: Ta Zr


crystal_class_orig: ditrigonal-scalahedral


species: I Tc

Wyckoff_letters_orig: m m o

Wyckoff_letters_orig: i m

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: m m o

Wyckoff_letters: i m

Wyckoff_site_symmetries: m m 1


species: Cd O

Wyckoff_letters_orig: i i i i


species: Pt Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Se Zn

species_pp: Se Zn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: V Zr


Wyckoff_letters_orig: a c


species: Hf Zn


species: Cu F

sg:
Cmcm #63
Fmmm #69
Fmmm #69

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Bi Pt

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca Ti


species: Co F

species_pp: Co F


species: Cu O

Wyckoff_letters_orig: a e i

Wyckoff_letters: a e i


species: Ca V

sg:
Cmcm #63
Cmcm #63
Cmcm #63


species: Ag Mn


species: Al Ru


Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ca Co

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Li

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I V

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i


species: Nb O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Mn O

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Cu Se

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Mn


species: O Yb

species_pp: O Yb


species: Bi O

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Bi Ti

crystal_class: ditrigonal-dipyramidal


species: Os V


species: B Ti


species: K Mg


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cs O


species: Li Tc


species: Fe Pt


species: O Zn

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: O Tc

Wyckoff_letters_orig: e e


species: Au W


species: Er Sn

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c g g h

Wyckoff_letters: a h

Wyckoff_letters: c g g h


species: Nd O

species_pp: Nd O


species: Cr O


species: Cr Li


species: Nb O


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


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: F Zn


species: Hg Ru


species: La Tc


species: F K

crystal_class_orig: monoclinic-prismatic


species: Au Pr

species_pp: Au Pr


species: Bi Cs


species: Os Ru


species: V W


species: O Rh


species: I Tc

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: Mn O

crystal_class_orig: monoclinic-domatic


species: N Ta


species: O Pr

species_pp: O Pr

sg2:
Pbca #61
Pbca #61
Cm #8

crystal_class: orthorhombic-bipyramidal


species: Br K

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co O


species: Sc Sn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I O

species_pp: I O


species: Au Sc


species: O W


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: Ru V

Wyckoff_letters_orig: a c


species: Pb S


species: K O

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

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Ca Mn


species: Mg Nb


crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Fe Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Fe Zn

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Mn V

crystal_class_orig: diploidal

crystal_class: hexoctahedral


species: Co Fe


species: Co Mo

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Zn

species_pp: Co Zn

crystal_class: ditetragonal-dipyramidal


species: Cr W

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Fe Mo


Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Fe W

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Ti

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mo

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr Ni

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Zn


species: Cu Fe


species: Cu V


species: Cu W

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Fe Mn


species: Fe Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe V


species: Mn Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


crystal_class_orig: orthorhombic-bipyramidal


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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni V

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


sg2:
Pnma #62
Pnma #62
Pnma #62


species: I Ta

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: F Rb


species: Hg Te

species_pp: Hg Te


species: Cs Mg

Wyckoff_letters_orig: a c


species: Hg Ho


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: K Nb

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Mg Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


Wyckoff_letters_orig: c c


species: Ce Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Gd O

species_pp: Gd O


species: Tb Yb


species: Dy Ni


species: Ce Cu


species: Ce Ni

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Dy Mn


species: Eu Sm

Wyckoff_letters: a c


species: Mn Nd


species: Yb Zn

species_pp: Yb Zn


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: Cd Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Tc


species: Cu Ta

crystal_class: diploidal


species: Hf V


species: Ta Ti


species: Fe Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: La Ti


species: Mn Zr


species: Hf Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Os Pt


species: W Zr

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Pd Rh

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ag Cr


species: Hg V


species: Ni Re


species: F Pb


species: Cd Cr


species: Ca I

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b


species: Cr I

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: I K


crystal_class_orig: ditetragonal-dipyramidal


species: I Li

Wyckoff_letters_orig: a c


species: I Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn


species: Ba I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg I

species_pp: Hg I


species: La Pd


species: Pt Tc


species: Ta Zr


species: Cu I

crystal_class_orig: dihexagonal-pyramidal


sg2:
Pbcm #57
Cmme #67
P4/nmm #129


species: I Zn

species_pp: I Zn


species: Ir W


species: Hf Nb


species: Mo Zr

crystal_class_orig: ditrigonal-scalahedral


species: Cd Fe


species: Cr Tc


species: Fe Pt

crystal_class_orig: dihexagonal-dipyramidal


species: Os Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Co Ru


species: Ir Tc


species: Ni Ru


species: Ag Ti


species: Cr Ir


species: Ti Zr


species: Cd Os


species: Fe Rh


species: La Os


species: Os Tc


species: Pd Ta


species: Ta V


species: Ta W


species: W Zr


species: Hf V

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Nb V


species: Au Zn

species_pp: Au Zn


species: Fe Se


species: Fe Sc


sg2:
Immm #71
Immm #71
Immm #71


species: Fe Re

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Br Mn


species: Pd Tl


species: Ir Os


species: Li Zn

Wyckoff_letters_orig: c f


species: Ag Bi


species: Hg V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: H K


species: Hf Hg

Wyckoff_letters_orig: a d


species: Nb Pd


species: Fe O


species: Ca Cr


species: S Zr

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ca Mg

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ni O


species: K Mg


species: Bi O


species: Hf Pd

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ca In


species: I Nb

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: O V


species: W Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ga Ti

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b k

Wyckoff_letters: a h

Wyckoff_letters: b k


species: O Zn

species_pp: O Zn


species: Cd Y

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ir Pt

species_pp: Ir Pt


Wyckoff_letters_orig: i j j j j g j j j i j j j i j j i j j j i j j i j j j j i i j i j i j g i i a

Wyckoff_letters_orig: j j b j j j i j j j i j j j j j i j j i j i j j i j j i j j g j i i i j i g i


species: O Sc


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: c c


species: Mn O

crystal_class_orig: trigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Pb S

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: I O

crystal_class: dihexagonal-dipyramidal


species: Ca Zn


species: Li Ni


species: Ca O

Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: b d e


species: Te Zn

species_pp: Te Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Al Sm


species: P Zr


species: Ga Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ca Cu

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g


species: O Pt

species_pp: O Pt


species: Cd Pd

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: F Sr

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a c i


species: Br Ru


species: Ba Si

Wyckoff_letters_orig: c g

Wyckoff_letters_orig: c f

Wyckoff_letters: c g

Wyckoff_letters: c f


species: Cu F


species: Cd Cs


species: Hg Ho


species: Ni O

Wyckoff_letters_orig: e g

Wyckoff_letters: d m


species: F Ge

Wyckoff_letters_orig: c h h h h h h i i

Wyckoff_letters: c h h h h h h i i


species: Ca Tc


species: Fe Pd

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ca K

Wyckoff_letters_orig: b c


species: Ca F


species: I V


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c c


species: Ti Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe O

crystal_class: trigonal-trapezoidal


species: Ni Ti


species: Al P

species_pp: Al P


species: Re Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ir Ta


species: Li O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e f f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f f


species: Sm Tl


species: La S

species_pp: La S


species: Mn O

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c d

Wyckoff_letters_orig: d d d

Wyckoff_letters: c d

Wyckoff_letters: d d d


species: Cu O

sg2:
Fdd2 #43
Fddd #70
Fddd #70


species: W Zr


species: As Ta

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe Mg

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g


species: Ni Sc


species: Bi Sn


species: O V

sg2:
Pbam #55
Pbam #55
Pbam #55


species: Cd Ta


species: In S

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e e e e e

Wyckoff_site_symmetries: m m m m m m


species: Cd O

species_pp: Cd O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


species: Au Sc

crystal_class_orig: hexoctahedral


species: Ru Ti

crystal_class_orig: tetrahedral


species: Co Mg


species: Er S

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i i

Wyckoff_letters: d i i i


species: Fe Sc


species: In P


species: Nb O

crystal_class_orig: orthorhombic-bipyramidal


species: Bi O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Mo Pd

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Hf Rh

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Os Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca Mg


species: Fe Hg


species: C W


species: F Tl

Wyckoff_letters_orig: d e


species: Cd Cu

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Mn


species: O Os


species: Cr Nb


species: Li Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Tb


species: Pt Y


species: Ge S

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ca V


species: Nb Os


species: Cs Te

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Ag Tc

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: O W

Wyckoff_letters_orig: g g g g g g g g

Wyckoff_letters_orig: e f g g g

Wyckoff_letters: g g g g g g g g

Wyckoff_letters: e f g g g


species: Ta Tc


species: Cr F

crystal_class: dihexagonal-pyramidal


species: O Zr

crystal_class_orig: ditetragonal-dipyramidal


crystal_class: hexoctahedral


species: Cu Hg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Mn

crystal_class_orig: diploidal


species: F Mg

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: F Ni

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: O Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sn


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


sg:
Fddd #70
Fddd #70
Fddd #70

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e h

Wyckoff_letters: e h


species: Ca Tc

crystal_class_orig: dihexagonal-dipyramidal


species: I Ni

crystal_class_orig: ditrigonal-scalahedral


species: Cu O

crystal_class: ditetragonal-dipyramidal


species: Ir O

species_pp: Ir O


species: Ni Zr


species: O Ti

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: Cr Sc


Wyckoff_letters_orig: e f k

Wyckoff_letters: e f k


species: Sc Tc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ca Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd O


species: O W

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: a d

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: Mn N


species: F Li

aflow_prototype_params_list_relax: a c/a z2


species: Ni O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Os Tb

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Br Mn


species: H Sm

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Bi Rh


species: Ca K


species: Co Hf

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Li Zn


species: Fe W


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a d

crystal_class: diploidal


species: Mn O


species: F Ni

aflow_prototype_params_list_relax: a c/a x2


species: La Ru


species: I Tl


species: Cu O

Wyckoff_letters_orig: a a


species: I Tc


species: Co Cr

aflow_prototype_params_list_relax: a c/a


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe O

Wyckoff_letters: c b

Wyckoff_letters: a g f j

Wyckoff_site_symmetries: mmm mmm

Wyckoff_site_symmetries: mmm mmm mmm 2mm

aflow_prototype_params_list_relax: a b/a c/a x6


species: Li Ti


species: Cu K


species: O Sn

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Hg O

species_pp: Hg O


species: I Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: K Pb


species: Mg Nb


species: Cr V

crystal_class: dihexagonal-dipyramidal


species: Mn Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cr Zn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cu Fe


species: Cu Mn


species: Cu Ni


species: Cu W


species: Fe W


species: Ni Ti


species: Ni Zn

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: V Zn


species: Co Ni


species: Cr Cu


species: Cr W

crystal_class: ditrigonal-scalahedral


species: Cu Mo


species: Cu Ti


species: Cu Zn


species: Fe V


species: Mn Mo


species: Mn V


species: Mo Ti


species: Cl Nb

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: O Pb

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Hg Rb

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hg Ho


species: Hg Li


species: Li Ta


sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Rb Ta


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Te

species_pp: Hg Te


species: Sm V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_relax: a c/a z3


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ce O

species_pp: Ce O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Cr Tb


species: Er Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Fe Ho


species: Fe Tb


species: Ho Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pr Ti

Wyckoff_letters: c d e


species: Ba I


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: Cr Nb

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Cr Pt


species: Hf V


species: La Rh


species: Nb Pd

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ni Ta

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Os Rh


species: Re Ta


species: Ag Ni


species: Hg Os


species: Hg Sc

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


species: Ta Ti


species: Ce Cu


species: La Zn

species_pp: La Zn


species: Nb V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Pd Zn

Wyckoff_letters: a f


species: Cd V


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Hg