species: Ti Zr

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Mn

Egap_DOS_type: metal

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

point_group_type_orig: centrosymmetric

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

point_group_type: centrosymmetric

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: Cu Y

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_system_orig: cubic

reciprocal_lattice_type_orig: CUB

reciprocal_lattice_variation_type_orig: CUB

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


species: Cd Cs

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC

Wyckoff_letters: c e d


species: Mo Sc

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: e e

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCT

Wyckoff_letters: e e


species: Au Co

species_pp: Au Co

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

point_group_structure_orig: symmetric

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC


species: Au Zn

species_pp: Au Zn

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral


species: Ag Nb

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Fe Te

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

point_group_structure_orig: cyclic

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: 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

reciprocal_lattice_type: MCLC

Wyckoff_letters: i i i i


species: Mg Sr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Li V

sg:
Pnma #62
Pnma #62
Pmmn #59

sg2:
Pnma #62
Pnma #62
Pmmn #59

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC


species: Pt Ta

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

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

aflow_prototype_params_list_orig: a b/a c/a x2

aflow_prototype_params_list_relax: a b/a c/a x2


species: O Si

species_pp: O Si


species: Fe V

Bravais_superlattice_lattice_type: MCLC

Bravais_superlattice_lattice_system: monoclinic


species: S Zn

species_pp: S Zn

crystal_class_orig: dihexagonal-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: a a b b b b b

crystal_class: dihexagonal-pyramidal

point_group_type: polar

Wyckoff_letters: a a b b b b b


species: Co F

species_pp: Co F

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

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: a c

Wyckoff_letters: c c c


species: Pr S

species_pp: Pr S

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: Mg O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

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

point_group_structure: trivial


species: Cu Hf

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

sg2:
Pnnm #58
Immm #71
Immm #71


species: I Tc


species: O Pr

species_pp: O Pr


species: Fe O

Bravais_lattice_orig: MCLC

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCLC

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_system_orig: monoclinic

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCLC

Bravais_lattice_lattice_system: monoclinic

Wyckoff_letters: a i i i

Wyckoff_letters: d i

Wyckoff_site_symmetries: 2/m m m m


species: Co Li

Wyckoff_letters_orig: b c

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: C Th

reciprocal_lattice_type_orig: MCLC


species: Fe Mg

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB


species: Ca Tc


species: Li Mn


species: Li O

sg:
Pnma #62
Immm #71
Immm #71

sg2:
Pnma #62
Pnma #62
Immm #71

Wyckoff_letters_orig: c c


species: Ca Cr

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: O Si

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


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a e e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a e e


species: Hf Y


aflow_prototype_params_list_orig: a c/a


species: I Mn


species: Ca Zn


species: Ca Li

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: O Sc


species: Cu Li

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: O Zn

species_pp: O Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Nb O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: a a


species: Cr W

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


aflow_prototype_params_list_relax: a c/a


species: Er O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: F V

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Li Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: B Ni

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Fe O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal

point_group_type: enantiomorphic


species: Co Li


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Nb

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Mo Tc


species: Ca Cr


species: Cd O

species_pp: Cd O


species: Re Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m


species: Os Ru


species: Pt Ti


species: O Zr

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a c d e

Wyckoff_letters: a c d e


species: Xe Y

sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55


species: Pb S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O V

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cr O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


point_group_Schoenflies: T

point_group_structure: alternating


species: Cr Zr


species: K O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal


species: Tc Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m


species: O Tc

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Li Mg

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Ca Mg

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: Cr Sc

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mo Pd


species: Cu I

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Dy Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe N

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: O Sn

species_pp: O Sn


species: Nb Y

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr F

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Li Zn


species: Cr V

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: O Ti

Wyckoff_letters: a a


species: Pd W


species: Pt Tc


species: Li O


species: I V

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d d d


species: Tc W


species: O Tc

Wyckoff_letters_orig: e e e

Wyckoff_letters: d a d


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Co F


species: Fe Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Os

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Bi O


species: Co O

species_pp: Co O

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Sb Si

species_pp: Sb Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: F Fe

crystal_class_orig: triclinic-pinacoidal

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

reciprocal_lattice_type: TRI

Wyckoff_letters: i i i


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

crystal_class: monoclinic-prismatic

Wyckoff_letters: i a g j

Wyckoff_letters: c h


species: O Sn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Li V

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: K Li


species: Ca K


species: O V


species: Nb Pd


species: F Mg

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ag Pt

species_pp: Ag Pt


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters_orig: a g

Wyckoff_letters_orig: b f n n

Wyckoff_site_symmetries_orig: mmm 2mm ..m ..m

Wyckoff_letters: a g

Wyckoff_letters: b f n n

Wyckoff_site_symmetries: mmm 2mm ..m ..m


species: O Re

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Bi Cs


species: F Ti

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Cr O


species: O Sc

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: Pd Sc


species: B Fe


species: Co Mg

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Pt


species: Mn O

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m


species: Mn Tc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Au Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: C K


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: C Co

species_pp: C Co


species: Pt Zr

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: B Rh


species: Li Ni


species: Bi O


species: Cr F

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: Cu Mg

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


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg Nb


species: O Rb

Wyckoff_letters_orig: f e

Wyckoff_letters_orig: g g

Wyckoff_letters: b c

Wyckoff_letters: m n


species: Eu Hg

species_pp: Eu Hg


species: Co Fe


species: Co V


species: Co Cu


Wyckoff_letters_orig: b c


species: Fe Ni

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: Mn V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo W


species: Mo Zn


species: V Zn


species: W Zn


species: Co Cr

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Co Mo


species: Cr Ti


species: Cr Zn


species: Cu Mn


species: Fe Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: V W


species: Ca Cl

Wyckoff_letters_orig: a a a b b

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

Wyckoff_letters: a a a b b

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


species: O Pb

Wyckoff_letters_orig: a a


species: Hg Ho


species: Hg Rb

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a d i i

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a d i i


species: Hg Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Li Rb


species: Li Ta

Wyckoff_letters_orig: a d


species: Mg Rb


Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Hg Li


species: F Nb

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a f

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: O Sm


species: O Yb

species_pp: O Yb


species: Pr V

Wyckoff_letters: a d


species: Er Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Co Pm

species_pp: Co Pm


species: Tb Zn


species: Mn Sm


species: Co Zn

species_pp: Co Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O Pb


species: Er Ti

Wyckoff_letters: a c


species: Ce Gd

species_pp: Ce Gd


species: Gd Ti


species: Ho Ni


species: Ga I

Egap_DOS_type: insulator

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cd I

species_pp: Cd I


species: Cr Pt


species: Ge Se


species: Ni Zr


species: Ni Ta


species: Cr Pd


species: Hg Mo


species: Ir Ta


species: Re V

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cd Cr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: diploidal

crystal_class: diploidal


species: Cu Os

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mo Ta


species: Nb Zn


species: Cd Ir

species_pp: Cd Ir


species: Au Co

species_pp: Au Co

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Ir Mo


species: Ag Re

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Mo


species: Pt Sc


species: Ca I


Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: a c d

Wyckoff_letters: b c e


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: j j


species: Cr I

Wyckoff_letters_orig: e e


species: Fe I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: f e


species: I Li

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: I Mg

Wyckoff_letters_orig: c d

Wyckoff_letters: c d

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: I Ni


species: I Rb


crystal_class_orig: dihexagonal-dipyramidal


species: Ag I

crystal_class_orig: ditetragonal-dipyramidal


species: Cd I


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: a c g h

Wyckoff_letters: i i i j j j

Wyckoff_letters: a d g h


species: Hg I

species_pp: Hg I

Bravais_superlattice_lattice_type: ORCF


species: I Pb


Wyckoff_letters_orig: e f g g g

Wyckoff_letters: e f g g g


Wyckoff_letters: a a


species: Ag Ti


species: Cu Pt


species: Hf Re

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu I


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Au Tc


species: Co Hf


species: Nb Os

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Hg Tc


species: N Sc


species: Ni Y


species: Cs Pb


species: Tc Ti


species: Cd Sc


species: Co Zr


species: Au V


species: Os Ru

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Sc Zr


species: O Sn

species_pp: O Sn


species: Mn Zr


species: Tc W


species: Nb Re


species: Mo Nb


species: Nb W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Ta


species: Pd Re


species: Ni Pt

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Tc


species: Rh Ta


species: Cd Mn

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


species: Cu Pt

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Ru


species: P Ta

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters_orig: c c c c c c c c c c

Wyckoff_letters: c c c c c c

Wyckoff_letters: c c c c c c c c c c


species: Fe O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Cu F


species: Co Re


species: O Tc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ta Ti


species: Ga S

sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a


species: Hf Zn

crystal_class: dihexagonal-dipyramidal


species: Pt V

crystal_class: ditetragonal-dipyramidal


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co Nb

crystal_class_orig: hexoctahedral


species: O V


species: Pd Zr


species: Cs F

Bravais_lattice_orig: ORCF

crystal_class_orig: orthorhombic-bipyramidal

Bravais_lattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI


species: Cu W


species: Os P


species: Au Co

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Co F

species_pp: Co F


species: Cd Ta

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: O Tb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c


species: Mg O

Wyckoff_letters_orig: g h

Wyckoff_letters: h g


species: O W

Wyckoff_letters_orig: d f

Wyckoff_letters: d f


species: F Ni

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f


crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: Ni Os

Wyckoff_letters_orig: b e

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: Ca Zn


species: Rh Te

crystal_class: ditrigonal-scalahedral


species: Ca O

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a a


species: I Ta

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O V

crystal_class: hexoctahedral


species: Ca Mg


species: Cr Li


Wyckoff_letters_orig: c f g

Wyckoff_letters: c f g


species: F V

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

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

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


species: Mg S


species: Ge Sb

crystal_class_orig: ditetragonal-pyramidal


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cr O

Wyckoff_letters_orig: c c


species: O Ru


species: In O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Zr


species: Cs Pb


species: O Ta

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


species: Co F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: a e i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: a b i


species: Ca Fe


species: Nb Zn


species: Li O

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


Wyckoff_letters_orig: c d d


species: Nb O

Wyckoff_letters_orig: a b c f

Wyckoff_letters: a b c f


species: Nb Pd


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Bi O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i i i

Wyckoff_letters: c i


species: Ca Cr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: d e f

crystal_class: rhombohedral

Wyckoff_letters: d e f


species: B Ir

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Zn

species_pp: O Zn


species: Mn Re


species: Ir O

species_pp: Ir O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Mn O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


species: Ho O

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Ibam #72
Ibam #72

Wyckoff_letters_orig: c e

Wyckoff_letters: a f


species: Os Re


species: O W

Wyckoff_letters_orig: b c e e g

Wyckoff_letters: b c e e g


species: Mo O


species: F Sr


species: In Yb


species: Pt Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr Hg

Wyckoff_letters_orig: a d


crystal_class: ditetragonal-pyramidal


species: Mg O

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Cr Mg


species: Cu Ga

sg2:
Imma #74
Cmmm #65
P6/mmm #191


species: O Sn

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: i i i i

Wyckoff_letters: i i

Wyckoff_site_symmetries: m m m m


species: F Fe


species: Hg Mo


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

Wyckoff_letters_orig: c c c c b

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

Wyckoff_letters: c c c c b


species: Ca Cr


species: F Hg

species_pp: F Hg


species: Ga Te


species: Ca Mn


species: Co Tc


species: Fe Mg


species: N Os

Wyckoff_letters_orig: f h h h h h h h h

Wyckoff_letters_orig: a g g

Wyckoff_letters: f h h h h h h h h

Wyckoff_letters: a g g


species: O V

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a a a a


species: O Ti


species: F Ti

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Nb Sc

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Zn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: I V


species: Dy Ge

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c f

Wyckoff_letters: c f

Wyckoff_letters: a c f


species: Li O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Ca Tc

crystal_class_orig: ditetragonal-dipyramidal


species: Mo Ru

crystal_class_orig: dihexagonal-dipyramidal


species: Mn O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: h h

Wyckoff_letters_orig: a d g

crystal_class: tetragonal-scalenoidal


species: Ni Rh

crystal_class_orig: diploidal

crystal_class: diploidal


species: Fe Nb

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ag Eu

species_pp: Ag Eu

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal


species: O W

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


species: Bi Se

crystal_class_orig: monoclinic-prismatic


species: Hf Pd

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: I Mn


species: I Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg La

species_pp: Hg La

crystal_class: dihexagonal-dipyramidal


species: Ni O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Nb O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Ta

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c d


species: Co Se

species_pp: Co Se


species: Co K


species: Pt Tc


species: Ge O


species: La Y


species: N Os


species: Cr Hf

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Sc

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: Ir Pt

species_pp: Ir Pt


species: Li Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Ce Sn

species_pp: Ce Sn

Wyckoff_letters_orig: c e

Wyckoff_letters_orig: c f g

Wyckoff_letters: c e

Wyckoff_letters: c f g


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Tc Y


species: O Ti

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i

Wyckoff_letters: i i


species: Fe W

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: B Gd

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: Li O


species: Ni O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_letters: a i i i

Wyckoff_letters: d i


species: Ca Mn

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Co O

species_pp: Co O

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a h

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a h


species: Co Mg


species: Cr V

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Li


species: O Sn

Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: Se Sn

species_pp: Se Sn

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Co Nb


crystal_class_orig: tetragonal-trapezoidal


species: Ni Zn

Wyckoff_letters_orig: b c

crystal_class: hexoctahedral

Wyckoff_letters: b c


species: Ca O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i m

Wyckoff_letters: m m o

Wyckoff_site_symmetries: m m 1


species: F Sr

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c b b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c b b


species: Cr Ti


species: Mn Zn


species: Ge La


species: F Fe

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: O Rb


Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: a i

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

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


species: Ca In

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: F Ni


species: Sc Ti


species: Li O


species: Mg Pb


species: Co Fe


species: Co Ti

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co V


species: Cr Mn


species: Mn Ni

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Mn Ti


species: Mo W


species: Ti V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V W


species: Cr Ni


species: Cu V


species: Fe Ti


species: Fe Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Ti


species: Ni Ti

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i


species: Cr Zn


species: Cl Pb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O Pb


species: Ca Cs


species: Hg Ho


species: Hg K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Hg Ni


species: Hg Te

species_pp: Hg Te

Bravais_lattice_relax: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

Wyckoff_letters_orig: a b

Bravais_lattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cl Nb


species: Cs Li


species: Ca Ta


species: K Ta


species: Mg Ta


species: Cs F

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: F Nb


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a c


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: O Sm


species: Eu Zn

species_pp: Eu Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Mn Pr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Nd V

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Ho

crystal_class_orig: dihexagonal-dipyramidal


species: Cu Dy


species: Cu Ho


species: Ce Cu


species: Er Ti


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: Ce Ni

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co Pm

species_pp: Co Pm


species: Cr Sm


species: Dy V


species: Dy Yb


species: Er Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Ho


species: Gd Zn

species_pp: Gd Zn


species: Tb V


species: Cd I

species_pp: Cd I


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Bi Cs


species: Co Pr

species_pp: Co Pr


species: Cr Hf


species: I Mn

sg:
Pnna #52
Imma #74
Imma #74

sg2:
Pnna #52
Pnna #52
Imma #74

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: c d

Wyckoff_letters: h i

Wyckoff_letters: e a


species: Ir V


species: Cd Ni


species: Cd Sc


species: Cr Hg

Wyckoff_letters: c d


species: Hg Zn

species_pp: Hg Zn

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Ir Pt


species: Mo Nb

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pd Tc


species: Pd Sc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Pd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hf La


species: La Rh

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co Rh


Wyckoff_letters: c e d


species: Pd W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ta Zr


species: Al O

species_pp: Al O


species: Cd Cs

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Os

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


species: O Re

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cd Pd


species: Cd Sc


species: Cu Ru


species: La Zn

species_pp: La Zn


species: Fe Rh


species: Pd V


species: Se Si

species_pp: Se Si

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Fe Pd


species: Ca I

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Co I

species_pp: Co I

crystal_class_orig: hexoctahedral


species: Cr I

crystal_class_orig: orthorhombic-bipyramidal


species: Fe I

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: I Li

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: I Ni

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: I Zr

Wyckoff_letters_orig: c f g h

Wyckoff_letters: c f g h

Wyckoff_letters: a d


species: Ag I

species_pp: Ag I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


Wyckoff_letters: c c


species: Cd I

Wyckoff_letters_orig: b a a

Wyckoff_letters_orig: c c c b b a

Wyckoff_letters: b a a

Wyckoff_letters: c c c b b a


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: e e


species: Ba I


species: Hg I

species_pp: Hg I


species: Ag V

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: a d


species: Cu I

Wyckoff_letters_orig: c c


species: Cd Pd


species: Cr Hf


species: O Sn

species_pp: O Sn

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

crystal_class: triclinic-pedial


species: Cd Ir

species_pp: Cd Ir


species: Ta W


species: Co Zr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr La


species: Hf Ta

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ta Zr

crystal_class_orig: diploidal


species: Hf W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mo Ta

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: V Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ti Zr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: W Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Rh


species: Hg Y


species: Os Ta


species: Er V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Pt


species: La Nb


species: Re Y

crystal_class_orig: ditrigonal-scalahedral


species: Ag Hf


species: Au Rh

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Nb Tc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Os Pd


species: Cr Nb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf Zn


species: Os Ru


species: Hf Nb


species: Li Zn

Wyckoff_letters: b c


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: a b

Wyckoff_letters: a b

Wyckoff_letters: c c


species: Co Mg


species: Br La

species_pp: Br La


species: Ag Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca K


species: Fe Zr


species: Sc Zr

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Sr


species: Cr Li


species: Nb O


species: Ca Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr K


species: Nb V


species: Au Ru


species: Fe O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Pb Te


species: Co Li


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e e


species: O V


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: c c


species: Al Cu


species: Li Tc


species: Co Se

species_pp: Co Se

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: O W

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: W Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: S Zn

species_pp: S Zn


species: Ag Ce

species_pp: Ag Ce


species: Au Ir

species_pp: Au Ir


species: S Th


species: Au Ta


species: Co F

species_pp: Co F

sg:
Pnma #62
Cmce #64
Cmce #64


species: Dy Ru

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg Si


species: Cu Hf

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Pd Rh

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ti

sg:
Pbcm #57
Pmma #51
Pmma #51

sg2:
Pbcm #57
Pmma #51
Pmma #51

Wyckoff_letters_orig: a d d

Wyckoff_letters: a e f


species: Nb O

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: Co O

species_pp: Co O

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: K Li

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ir Mn


species: O V


species: O W

Wyckoff_letters_orig: d e f

Wyckoff_letters: d e f


species: K Mg

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

Wyckoff_letters: a e


species: Ag Ru

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe O


species: Al S

species_pp: Al S


species: Ag Pt

species_pp: Ag Pt


species: Cu O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Ti

Wyckoff_letters_orig: a c f l

Wyckoff_letters: a c h p

Wyckoff_letters: b g

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Mo Zn


species: La Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hf Zn


Wyckoff_letters_orig: e e e

Wyckoff_letters: b a e


Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Hf Ru


species: O Tc

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: f g

Wyckoff_letters: e h

Wyckoff_letters: f g


species: Pd Zn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mg O

Wyckoff_letters_orig: a f h


species: C Mg


crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: j l l m


species: Mn O


species: O Ru

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Cu S

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Ta

Wyckoff_letters_orig: e e e e e e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: e e e e e e e e e

Wyckoff_letters: e e e e e e

Wyckoff_site_symmetries: m m m m m m m m m

Wyckoff_site_symmetries: m m m m m m


species: Co O

sg2:
Pcc2 #27
Pccn #56
Pccn #56

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a d e e

Wyckoff_letters: c e


species: F V

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Ni Ti

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Cr Re

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ba C

sg2:
Pnma #62
Pnma #62
Immm #71


species: N Ta

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Sn

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f g j i


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

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

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


species: Au Eu

species_pp: Au Eu

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74


species: F Ti


Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Au Co

species_pp: Au Co


Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Cu Rh


species: Co K


species: Ca K


Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: As Mn


species: O Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: K O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: Cu I


species: C Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e e e f f

Wyckoff_letters_orig: e e e e f f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e e e f f

Wyckoff_letters: e e e e f f


species: O Sc


species: O V


species: O Tb


species: F Ni


species: I Mn

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Ir Re


species: B Li

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b

Wyckoff_letters: a b

Wyckoff_letters: a a b


species: F Tl

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57


crystal_class_orig: dihexagonal-pyramidal


species: Li Ni

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Te Zn

species_pp: Te Zn

crystal_class: ditetragonal-dipyramidal


species: Fe O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: c i i i i

Wyckoff_site_symmetries: 2/m m m m m


species: Bi O


species: Mn O

crystal_class_orig: ditetragonal-dipyramidal


species: Ge Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr O

crystal_class: ditrigonal-dipyramidal


species: Co Ge


species: Nd O

species_pp: Nd O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Lu


species: Cr Y

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: O Ti

crystal_class: diploidal


species: Co F

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


Wyckoff_letters_orig: a e h i

Wyckoff_letters_orig: i j

Wyckoff_letters: a e h i

Wyckoff_letters: i j


species: F Ni


species: Cr Nb

crystal_class: dihexagonal-dipyramidal


species: Cr Li

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Co Li

sg:
Fdd2 #43
Fddd #70
Fddd #70


species: Ca Cr

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class: orthorhombic-bipyramidal


species: O W

sg:
Cmce #64
Cmce #64
Cmmm #65

sg2:
Cmce #64
Cmce #64
Pmma #51


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mg O

aflow_prototype_params_list_orig: a b/a c/a y2


species: Ca Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Co O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b


species: Hg In

crystal_class: ditrigonal-scalahedral


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b c f

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c f


species: Nb Ru

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Li Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg N

Wyckoff_letters_orig: b b b b b

Wyckoff_letters: b b b b b


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Bi O

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


Wyckoff_letters_orig: h i


species: Te Zn


species: Re Tc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Rh V


species: Rh Ti


species: I Mn


Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Mo O

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

sg2:
Ibam #72
Ibam #72
I4/mcm #140


species: Cr Mg


species: Ge S


species: Li V


species: Pd Se

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c c c

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a c c c

Wyckoff_letters: a b c


species: I Nb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Li Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mn Mo


species: F K


species: Pt W


species: B Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: a c i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i

Wyckoff_letters: c b i i i i


species: O Pd


species: N S

species_pp: N S

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries: mmm mmm


species: O V


species: O Zr


species: Fe O


species: O Tc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Cr Ti


Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


species: Pb Se

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: a e f f f


species: C Cr

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Mn Ta


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ni P

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: F Nb


species: K Pb

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mg Pb


species: O Ta


crystal_class_orig: ditrigonal-scalahedral


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Mn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Co Fe

crystal_class_orig: tetrahedral


species: Co Ti


species: Co Zn


species: Cr Fe


species: Cr Mo


species: Cu Fe


species: Fe Mo


species: Mn V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Mn W


species: V Zn


species: W Zn


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr Zn

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu Ni


species: Fe V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn Zn

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: Mo Ni


species: Ni Ti


species: Ca Cl

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cl Mg

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: Hg Se

species_pp: Hg Se

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ho


species: Hg S

species_pp: Hg S

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
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 Pb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cs

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ca Rb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Ta

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Cs Rb


species: K Ta


species: Li Ta


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Rb


species: Rb Ta


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ho O


species: Nd O

crystal_class: dihexagonal-pyramidal


species: Ti Yb


species: Er Sm


species: Co Dy


species: Cu Nd


species: F Li

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Nb

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: Cu Pm


species: Dy Zn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Eu Ti


species: Fe Nd


species: Gd Zn

species_pp: Gd Zn


species: Mn Yb


species: Nd Tb


species: Pr V


species: Cs I


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ag Cu

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Cd Os


species: Re Ru

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Cu Tc

sg2:
Pnnm #58
Immm #71
Immm #71


species: Hg Li


species: Pt Ta


species: Cu Os

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: F O

species_pp: F O

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ni Sc


species: Cu Re

crystal_class: ditetragonal-dipyramidal


species: Fe Sc


species: Rh W

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Rh Y

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Pd


species: Hf Ti


species: Ru Sc


species: Al O

species_pp: Al O


species: O Zr

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: f h i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: f h i


species: Co I

species_pp: Co I


species: Fe I

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: I Li

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Ni


Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: Be I


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Si

species_pp: I Si


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: g j

Wyckoff_letters: i i i j j j

Wyckoff_letters: g j


species: I Pb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a c


species: Ag Hg

species_pp: Ag Hg

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-dipyramidal


species: Cr La

crystal_class_orig: dihexagonal-dipyramidal


species: Cu I

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


crystal_class_orig: monoclinic-sphenoidal


species: I Zn

species_pp: I Zn

crystal_class: ditrigonal-dipyramidal


species: Al I

species_pp: Al I

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: I Sr

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cu Rh

crystal_class: ditrigonal-scalahedral


species: Fe Zn

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Hf Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Nb Tc

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ti Zr

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cd Fe


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Cu Os


species: Sc Si


species: Hg O

species_pp: Hg O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Ir Mn


species: Ni Ru


species: Re Ru


species: Hf Rh


species: Ho Nd


species: Nb W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pt Rh

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Rh Zr


species: Ir Ti


species: Ag Nb


species: Au Pd


species: I Li

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_letters: m n


species: Os Y


species: Ni Rh


species: Ni Ta


species: Hf Ta


species: Mo Zr

crystal_class_orig: diploidal


species: Ta V


species: V Zr


species: Hf W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Ta


species: I W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: O V

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: f f

crystal_class: rhombohedral

Wyckoff_letters: f f


species: Au Co

species_pp: Au Co

crystal_class_orig: ditrigonal-scalahedral


species: F Si

species_pp: F Si

crystal_class_orig: tetrahedral


species: Fe Si


species: Gd Zn

Wyckoff_letters_orig: a c


species: Cd Pt

species_pp: Cd Pt


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: c d

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c d


species: O Yb

species_pp: O Yb


species: As Sc

Wyckoff_letters_orig: j k

Wyckoff_letters_orig: a d e j k

Wyckoff_letters: j k

Wyckoff_letters: a d e j k


species: Co O

species_pp: Co O


species: Cr O

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i

Wyckoff_letters: a i i i i


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ca Mg


species: Cu Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


crystal_class: diploidal


species: F Ni

Wyckoff_letters: e g


species: Co Pt


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: O Ti

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: O Sn

species_pp: O Sn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Cd F

species_pp: Cd F


species: Ag Cl

species_pp: Ag Cl


species: Ti Zr


species: Ag Fe


species: O Te

species_pp: O Te

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Pd

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Er F


species: Mg O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a b b b


species: Ag F

species_pp: Ag F

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: a c


species: S Sn

species_pp: S Sn

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal


species: Bi Ca


species: Fe I


species: Br F

species_pp: Br F

Wyckoff_letters_orig: a a a b

Wyckoff_letters: a a a b


species: Cr Mn


species: F Hg

species_pp: F Hg

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: n n

Wyckoff_letters_orig: c b e


crystal_class_orig: dihexagonal-dipyramidal


species: Co Tb

Wyckoff_letters_orig: a c c d h

Wyckoff_letters_orig: c c

Wyckoff_letters: a c c d h

Wyckoff_letters: c c


species: Au Mo

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Hg Tc

Wyckoff_letters_orig: b h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b h


species: O Zn

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: O Sn

crystal_class_orig: orthorhombic-pyramidal


species: Co F

species_pp: Co F

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: c c d

Wyckoff_letters: c c d


species: B Zr


crystal_class_orig: ditrigonal-pyramidal

crystal_class: ditrigonal-pyramidal


species: Ag Cu

crystal_class_orig: ditetragonal-dipyramidal


species: O Tc

sg:
Pbcn #60
Pbcn #60
P4/nmm #129

sg2:
Pbcn #60
Pbcn #60
Ibam #72

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Li Mn

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Cr F

Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


species: B P

Wyckoff_letters_orig: a h h

Wyckoff_letters: a h h


species: Cu K


species: Li O


species: I Nb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Hf O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


species: F Nb

Wyckoff_letters_orig: f f

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: f h


species: F Fe


species: O Ta

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i i i i i i i

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: a i i i i i i i

Wyckoff_letters: i i i

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


species: F Ti

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: Mn O


species: F Li

crystal_class: hexoctahedral


species: O W

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


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: Co F


species: Li V

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Rb


species: Ca Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Fe Ti


species: Ag Mo


Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Fe Mn

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: B Mg

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: b c

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: d f f

Wyckoff_letters: b c


species: Si Y

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e


species: Cr Ni


species: Cr Fe


species: Nb O

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Sn

Wyckoff_letters_orig: c e

Wyckoff_letters: e h


species: Nb Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: B W

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Bi Ti


species: I Ti

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c


species: Cd Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti

crystal_class_orig: tetrahedral


species: Os Ta

Wyckoff_letters: b f


species: H Nb

Wyckoff_letters_orig: e e f g

Wyckoff_letters: e e f g


crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

crystal_class: diploidal

Wyckoff_letters: c d


species: Bi O

crystal_class_orig: tetragonal-trapezoidal


species: I V


species: N S

species_pp: N S

sg:
Pnnm #58
Pnnm #58
Pnnm #58


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: Cd O

species_pp: Cd O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: S Ti


species: O Tc


species: I Nb


species: Fe Hg

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

Wyckoff_letters_orig: a f


species: Cu Li


species: F Sr


species: Hf Ir


species: Co O

Wyckoff_letters_orig: a b b

crystal_class: tetrahedral

Wyckoff_letters: a b b


species: Ru Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Ge Se

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: a b e e e


species: Cr Tc


Wyckoff_letters_orig: h k

Wyckoff_letters: h k


species: Au Hf

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ba Se


species: Li Tc


species: Bi O

Wyckoff_letters_orig: f g

Wyckoff_letters_orig: e h


species: Fe Li


species: Re Rh

Wyckoff_letters_orig: c c


species: Pb S

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: Ag Li


species: I Mn


species: F Nb

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: Mn Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: f g h


species: F Mn

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i i i i i i

Wyckoff_letters_orig: a i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i i i i i i

Wyckoff_letters: a i


species: F Li


species: Cr Pt

crystal_class_orig: hexoctahedral


species: Li Zn


species: Se Ti


species: Ir Sc


species: Cd Sc

Wyckoff_letters_orig: a l


species: Ca Cr

crystal_class_orig: dihexagonal-dipyramidal


species: O Os

sg:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cu V


species: Gd Pd


species: Ni Zn

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: O Zn

sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


Wyckoff_letters_orig: a b


species: Cu K


species: Cr O

Wyckoff_letters: c c


species: Ca Ti


species: Cr Nb


species: Ca Tc

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Sn Yb

species_pp: Sn Yb

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Cd O

Wyckoff_letters_orig: a a a c c c

Wyckoff_letters_orig: b b b c c c

Wyckoff_letters: a a a c c c

Wyckoff_letters: b b b c c c


species: Hg Sc


species: Cu Pt

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e


species: Sc V


species: Cr F


species: I Nb

Wyckoff_letters_orig: c c d d d d d d

Wyckoff_letters_orig: a b c d d

Wyckoff_letters: c c d d d d d d

Wyckoff_letters: a b c d d


species: Fe K

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: H Sc

Wyckoff_letters_orig: a h i j

Wyckoff_letters_orig: b i

Wyckoff_letters: a h i j

Wyckoff_letters: b i


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Rb

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a


species: Co Mn

Wyckoff_letters_orig: c d


species: Co Mo

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Co V

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Co W

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Co Zn

species_pp: Co Zn


species: Cr Mn

sg:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Cr Mo


species: Cr Ni

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cu Zn


species: Mn Mo


species: Mo W


species: Mo Zn

Wyckoff_letters_orig: a e


species: W Zn


species: Co Cu

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr Zn


species: Fe Ti


species: Fe V


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Ti


species: Mn V


species: Mo Ni


species: Mo V

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ni W

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: ditetragonal-dipyramidal


species: Ti V


species: Ti W


species: Hg Ho

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f


species: Hg In


species: Hg K


species: Hg Mg


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Rb


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: F Nb


species: K Nb


species: Mg Rb


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Nb Rb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: O Pb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cl Pb


species: Ce O

species_pp: Ce O


species: Dy Yb


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cu Ho

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: F Ta

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Fe Zn

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce Ho

crystal_class: dihexagonal-dipyramidal


species: Mn Pm


species: Ni Pr


species: Cr Er


species: Cr Ho

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cr Sm


species: Dy Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Nd

crystal_class_orig: ditrigonal-dipyramidal


species: Mn Tb

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

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: I Si

species_pp: I Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: Be I

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Sr

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hf Pt


species: Hg Ni

crystal_class_orig: tetrahedral


species: Cu Rh

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Ir V


species: Mn Sc


species: Co Rh


species: Sc Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hf Y

crystal_class_orig: ditrigonal-scalahedral


species: Pd Rh


species: Pt W

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ag Mo

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ir Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ag La

species_pp: Ag La


species: Hf Mn


species: Ca I

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Co I

species_pp: Co I

crystal_class: hexoctahedral


species: Fe I


species: I K


species: I Li

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: a b e e e

Wyckoff_letters: e e


species: I Mg

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b


sg2:
Cmce #64
Cmce #64
Cmce #64

crystal_class: orthorhombic-bipyramidal


species: I Ni

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a a a a b

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

Wyckoff_letters: a a a a a a a b

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


species: I In

crystal_class: ditrigonal-scalahedral


species: Ba I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Pb

Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Cu I

crystal_class_orig: hexoctahedral


species: I Zn

species_pp: I Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: d c e f k k

Wyckoff_letters: f f f k


Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: I Sr


species: Cs I


species: Ag Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cd Nb


species: Ru Tc


species: Ru Ti


species: Cd Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Ru


species: Ni Rh


species: Ag V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ni Y


species: Rh Ru


species: Au Os

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Au Ta


species: Hf V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf W


species: Hf Zr

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Mo Ta

sg2:
Fdd2 #43
Fddd #70
Fddd #70

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Mo Zr


species: Nb W

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Ta Zr


species: Hg Ir


species: Cr La

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: La Ru


species: Os W


species: Sc Zr


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb Pt


species: Ni O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: Bi O


species: Mg S

Wyckoff_letters_orig: c d


species: O Y

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Mo Nb


species: F Fe


species: O W

crystal_class_orig: orthorhombic-bipyramidal


species: Ir O

species_pp: Ir O


species: As Cu


species: La Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu F

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: Hf Pd


species: F La

species_pp: F La

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

Wyckoff_letters: a b c c


species: Fe I


species: O Zr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_letters: a i

Wyckoff_letters: d i i i


species: Co O

species_pp: Co O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Al Y

Wyckoff_letters_orig: d h

Wyckoff_letters: d h


sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Al Pt

species_pp: Al Pt

Wyckoff_letters_orig: c e


species: O Re

Wyckoff_letters_orig: a d d


species: Ho P

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Bi Ce


species: O Tm

species_pp: O Tm

Wyckoff_letters: c d


species: Ir S

species_pp: Ir S

Wyckoff_letters_orig: c f


species: Bi La


species: O V

Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: O Zn

species_pp: O Zn


species: As Cr


species: Ba Ge

Wyckoff_letters_orig: d e

Wyckoff_letters_orig: i m

Wyckoff_letters: d e

Wyckoff_letters: i m


Wyckoff_letters_orig: a b c c c c

Wyckoff_letters: a b c c c c


species: Cd O

species_pp: Cd O


species: Ca Fe


species: Cr Li

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ti Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu F


Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: Sc Zn

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: I O

species_pp: I O


species: Hf Nb

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: La Tl


species: Te Ti


species: Ag Zn

species_pp: Ag Zn


species: O W

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Al W


species: O Si

species_pp: O Si

Wyckoff_letters_orig: i j k l

Wyckoff_letters: i j k l


species: Co Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Mn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mn Ni


species: Ni O


species: O Ta

Wyckoff_letters_orig: a b b

Wyckoff_letters: a e e


species: Hf Zr


species: Cr Ru

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: a d

Wyckoff_letters: c d d


species: Li Tc


species: Br Ca

Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


species: H Mn

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co O

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: C Tb


species: H Ho

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: O Sc

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Mn Sc


species: F Zn

species_pp: F Zn


species: Cr K

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: B Zr


species: Ba Cl

Wyckoff_letters: c c


species: O Re

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O W

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


species: O Sr


species: Ca F

Wyckoff_letters_orig: a a a a b

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

Wyckoff_letters: a a a a b

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


species: Li Ti


species: Ca Mn


species: Mg O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Au Y

crystal_class_orig: diploidal

crystal_class: diploidal


species: Tb Te

Wyckoff_letters_orig: a c

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a c


species: F Mg

Wyckoff_letters_orig: c c


species: Co V

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


species: Nb Zn


species: Li Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: O Sc

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e

Wyckoff_letters: e e


species: F Ni


species: F Hg

species_pp: F Hg


species: Hf W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ca V


species: Nb O


species: F Zn

sg2:
Pbca #61
Pbca #61
Pbca #61


species: C Zr

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: c e

crystal_class: gyroidal

Wyckoff_letters: a b d

Wyckoff_letters: c e


species: Li V


crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b


species: Hg Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ir O


species: Ir Ru

crystal_class_orig: ditrigonal-scalahedral


species: Ca Cr


species: Os Pd


species: Fe O


species: O Rh


species: Co Ti


species: P Tc

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Pt Ti

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Sn Te

species_pp: Sn Te

Wyckoff_letters: c c


species: Nb Tc

Wyckoff_letters_orig: g h

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: g h


species: Ca Cu


species: I O

Wyckoff_letters_orig: c c c d

Wyckoff_letters: c c c d


species: O Sn

species_pp: O Sn


species: Ba N

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Hf Sc


species: O Ti

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Cu O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Mg S


species: O Tc

Wyckoff_letters: a c


species: Ca O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cr Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Co O


species: O Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: Li Mn


species: Mn O

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters: a f


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a b b


species: B Ir

sg2:
Pnnm #58
Pnnm #58
Pnnm #58

Wyckoff_letters_orig: g g

Wyckoff_letters: g g


Wyckoff_letters_orig: c c

Wyckoff_letters: c c c c


species: Ag N

species_pp: Ag N

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Re Y

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hg Ir

species_pp: Hg Ir

crystal_class: hexoctahedral


species: O Sc


species: O V

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Fe O

sg:
Pbcn #60
Pbcn #60
Cmcm #63

sg2:
Pbcn #60
Pbcn #60
Cmcm #63

Wyckoff_letters_orig: d d d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: f g e


species: Ca Cu

crystal_class_orig: tetrahedral


species: Mo Y


species: Cd O

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i i i


species: Fe Re


species: Li V

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a c


species: Cr N


species: Ir O

species_pp: Ir O

Wyckoff_letters: e e e


species: Br O

species_pp: Br O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a a a a a


species: Bi Te

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a


species: O Pb

Wyckoff_letters_orig: a f h

Wyckoff_letters: a f h


species: Li Sr

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


crystal_class: ditrigonal-scalahedral


species: K Pb


crystal_class_orig: dihexagonal-dipyramidal


species: Co Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co W

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Fe

crystal_class_orig: dihexagonal-pyramidal


species: Fe Ni

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cr Fe


species: Cr Mo


species: Cr W


species: Cu Mo


species: Fe W


species: Mn Mo


species: Mn W


species: Ni Zn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


Wyckoff_letters_orig: a b g g

Wyckoff_letters_orig: c g

Wyckoff_letters: a b g g

Wyckoff_letters: c g


Wyckoff_letters_orig: c b b b a a a a

Wyckoff_letters_orig: c c c b

Wyckoff_letters: c b b b a a a a

Wyckoff_letters: c c c b


species: Hg Ho


species: Hg Li


species: Hg Mg


Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Hg Y


species: Hg Yb

species_pp: Hg Yb


species: Cs F


species: Ca Cs


species: Cs Li


species: K Nb


Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Li Rb


species: Mg Rb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ce Nd

species_pp: Ce Nd


species: Co Yb

species_pp: Co Yb


species: Cu Dy


species: Eu Tb


species: Cl Pb

crystal_class_orig: monoclinic-prismatic


species: O Pb

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: Cr Eu


species: Dy Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Dy Ti


species: Ba I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: e e e e


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ga I


species: I Si

species_pp: I Si

crystal_class_orig: diploidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Re


species: Cu Ho


species: Hg Tc


species: Tc W

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: La Re


species: Ag Fe

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Au Cr


species: Pt Y


species: Cl Rb

crystal_class: tetrahedral


species: N Tc

crystal_class: dihexagonal-pyramidal


species: Nb Ni

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Pd

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Pd W


species: Au Ti


species: La Nb


species: Pt Re


species: Ru Zn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ru Tc


species: Cr Ho


species: Rh Zn


species: Ru Ta


species: Fe Rh

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Ti


species: Tc Zr


species: Hg Mo


species: Ir La

species_pp: Ir La


species: La Y


species: Ca I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f


species: Co I

species_pp: Co I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: b a c


species: Cr I


species: Fe I

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: I Li

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: I Mg

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c f l

Wyckoff_letters: b e


crystal_class: ditetragonal-dipyramidal


species: I Ni

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ge I

Wyckoff_letters: f f f f


species: I Rb


species: I Zr

crystal_class: dihexagonal-dipyramidal


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c

Wyckoff_letters: c c c c


Wyckoff_letters_orig: a a a a a c c b b

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

Wyckoff_letters: a a a a a c c b b

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


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Hf Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Re


species: Cu I

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters: b g

Wyckoff_letters: a c h p


species: I Zn

species_pp: I Zn


species: Ga I

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: d e


species: I Sr


species: Cd Tc


species: Sc Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e


species: Ag Mo

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Cu Hf

crystal_class_orig: hexoctahedral


species: Hf V


species: Hg Pt

species_pp: Hg Pt


species: Hf Os


species: Hg Rh

Wyckoff_letters: d e


species: Pd Tc


species: Au Hf

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c c

Wyckoff_letters: c c c


species: Fe Ir

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Hf Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Ru

crystal_class: diploidal


species: Pd S


species: Pt Rh

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Tc W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hf Ta


crystal_class_orig: dihexagonal-dipyramidal


species: Mo Ta

crystal_class: hexoctahedral


species: Nb Zr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Ta Zr

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Hf Nb


species: Hf W


species: Mo Nb


species: Nb V


species: Mg Nb

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Pd Zn


species: Mo Si


species: Cr Sc


species: O W

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: a b d f

Wyckoff_letters: e d


species: Ni O

Wyckoff_letters_orig: j j j

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: j j j


species: Rh Tc


species: Cu Nb


species: Os W


species: Re Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Pt Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Gd V

Wyckoff_letters_orig: g f

Wyckoff_letters_orig: a d

Wyckoff_letters: g f

Wyckoff_letters: a d


species: La Rh

Wyckoff_letters_orig: d e


species: Ca O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f


species: Au Pd


species: Cu F

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Co F

species_pp: Co F

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b b

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

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b

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


species: Cu Si

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

crystal_class: ditrigonal-scalahedral

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


species: Ca Co

Wyckoff_letters_orig: a h


species: Mg O

sg:
Pnma #62
Pnma #62
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


species: O V

sg:
Cmce #64
Cmce #64
Cmce #64


species: Ca Ti


species: Cr F

Wyckoff_letters_orig: b b a a a a

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

Wyckoff_letters: b b a a a a

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


species: F Mn


species: Ba Pd

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: F Ni

Wyckoff_letters_orig: a a


species: I V

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: Ru Y


species: Co Ho

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd F

species_pp: Cd F


species: Fe Zr

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ge S


species: Mo O


species: Li Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr Pt

Wyckoff_letters: a h


species: Hg Re


species: Cr V


species: Li Mg

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: I Ti


species: Mo Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Cu K


species: Cr Nb


species: Au Co

species_pp: Au Co

Wyckoff_letters_orig: g f


species: Cu Li

crystal_class: tetrahedral


species: O W

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e


species: Fe I


species: Fe V


Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: Mo W


species: Cu Ni

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ag Bi

sg2:
Immm #71
Immm #71
Immm #71


species: Mg Se


species: Mn Ti

Wyckoff_letters_orig: c i

Wyckoff_letters: b f


species: Pd Ti


species: O V

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Hf Pd


species: Pr Zn

species_pp: Pr Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: F V

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Tc


species: O Ti

Wyckoff_letters_orig: e e e e e e

crystal_class: triclinic-pinacoidal

Wyckoff_letters: b a i i


species: H V


species: Ca Mg

Wyckoff_letters: d i


species: O Ru

Wyckoff_letters_orig: c d


species: Ag Rh

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: I Mn


species: Ge Te

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i


species: F Ti


species: Ca Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: N Nb


species: Cu Mg


species: O Zr


species: Bi Sn

Wyckoff_letters: c d


species: O Re

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: O Sn

species_pp: O Sn


species: Co F

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c b


species: Ca Ni


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Mn Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: N Zn

species_pp: N Zn

Wyckoff_letters_orig: a a a b c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a b c c c c


species: O Sr

sg:
Fmm2 #42
Fmmm #69
Fmmm #69

sg2:
Fmm2 #42
Fmmm #69
Fmmm #69

Wyckoff_letters_orig: c c d e

Wyckoff_letters: g g h o


species: I Ti


species: Mg O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: d c


species: P Zn

species_pp: P Zn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Pd Y


species: O Rh

crystal_class: trigonal-trapezoidal


species: Mn W


species: Al Cl

species_pp: Al Cl

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: F K


species: Br Ti

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Nb Zn


species: Ca Ti

crystal_class: ditetragonal-dipyramidal


species: Fe Ni


species: Rh Tc


species: Li Tc

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: O Zn

species_pp: O Zn

crystal_class: orthorhombic-pyramidal


species: F N

species_pp: F N

crystal_class_orig: ditrigonal-scalahedral


species: Bi Se


species: O Zr

Wyckoff_letters_orig: f g j i

Wyckoff_letters: f g j i


species: O Sn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Sb Y


species: Li Mg

Wyckoff_letters: a b


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Pt Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: K O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Co Zr


species: Bi O

Wyckoff_letters_orig: c e h

Wyckoff_letters_orig: h h h

Wyckoff_letters: c e h

Wyckoff_letters: h h h


species: Cu Nb

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


species: Cr Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: I Tc

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: Fe O


species: Hf Mn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pt Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Hf Sc


species: S Sn

species_pp: S Sn

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal


species: C Th

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Ca Li

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: O V

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Mn O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cd Cs


species: Cd O

species_pp: Cd O


species: Fe K

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Mn

crystal_class: orthorhombic-bipyramidal