species: Mn Pd

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cd Ir

species_pp: Cd Ir

Egap_DOS_type: metal

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

point_group_type_orig: centrosymmetric

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: CUB

Bravais_superlattice_lattice_variation_type_orig: CUB

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

point_group_type: centrosymmetric

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB


species: La Ru

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

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: TET

lattice_variation_relax: TET

lattice_system_relax: tetragonal

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: Pt V

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

Wyckoff_letters_orig: a l

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_lattice_lattice_type: ORC

Bravais_lattice_lattice_variation_type: ORC

Bravais_lattice_lattice_system: orthorhombic

Bravais_superlattice_lattice_type: ORC

Bravais_superlattice_lattice_variation_type: ORC

Bravais_superlattice_lattice_system: orthorhombic

reciprocal_lattice_type: ORC

reciprocal_lattice_variation_type: ORC

Wyckoff_letters: a l

aflow_prototype_params_list_orig: a b/a c/a x3

aflow_prototype_params_list_relax: a b/a c/a x3


species: Ag Mo

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


species: La Mn

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC

Wyckoff_letters_orig: b d

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC

Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: b d


species: Ni Sc

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Cd Sc

crystal_class_orig: tetrahedral

point_group_Schoenflies_orig: T

point_group_type_orig: enantiomorphic

point_group_structure_orig: alternating

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

point_group_structure: symmetric

Wyckoff_letters: c e d


Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

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

Bravais_lattice_lattice_type: BCT

Bravais_superlattice_lattice_type: BCT

reciprocal_lattice_type: BCT

Wyckoff_letters: e e


species: Ag Ni

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC


species: Cr Ir

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pd Pt

Bravais_lattice_orig: HEX

lattice_variation_orig: HEX

lattice_system_orig: hexagonal

Bravais_lattice_relax: HEX

lattice_variation_relax: HEX

lattice_system_relax: hexagonal

crystal_family_orig: hexagonal

crystal_system_orig: hexagonal

crystal_class_orig: dihexagonal-dipyramidal

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-dipyramidal

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: Ag Ru


species: Cd Co

species_pp: Cd Co

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_structure_orig: dihedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_structure: dihedral

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Ni Tc

Bravais_lattice_orig: TET

lattice_variation_orig: 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

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Ti


species: Rh Zn


species: Pd V

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

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: Pd Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: La Os


species: Ni Os

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cd V


species: Os Sc


species: Os Tc


species: La Rh

Wyckoff_letters_orig: c d


species: Co I

species_pp: Co I

Egap_DOS_type: half-metal

crystal_class_orig: orthorhombic-pyramidal

point_group_type_orig: polar

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-pyramidal

point_group_type: polar

Wyckoff_letters: c c c


species: Cr I

Bravais_lattice_orig: MCL

lattice_variation_orig: MCL

lattice_system_orig: monoclinic

Bravais_lattice_relax: MCL

lattice_variation_relax: MCL

lattice_system_relax: monoclinic

crystal_family_orig: monoclinic

crystal_system_orig: monoclinic

crystal_class_orig: monoclinic-prismatic

Bravais_lattice_lattice_type_orig: MCL

Bravais_lattice_lattice_variation_type_orig: MCL

Bravais_lattice_lattice_system_orig: monoclinic

Bravais_superlattice_lattice_type_orig: MCL

Bravais_superlattice_lattice_variation_type_orig: MCL

Bravais_superlattice_lattice_system_orig: monoclinic

reciprocal_lattice_type_orig: MCL

reciprocal_lattice_variation_type_orig: MCL

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m

Wyckoff_site_symmetries_orig: m m m m

crystal_family: monoclinic

crystal_system: monoclinic

crystal_class: monoclinic-prismatic

Bravais_lattice_lattice_type: MCL

Bravais_lattice_lattice_variation_type: MCL

Bravais_lattice_lattice_system: monoclinic

Bravais_superlattice_lattice_type: MCL

Bravais_superlattice_lattice_variation_type: MCL

Bravais_superlattice_lattice_system: monoclinic

reciprocal_lattice_type: MCL

reciprocal_lattice_variation_type: MCL

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m

Wyckoff_site_symmetries: m m m m


species: Fe I

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: I K

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

crystal_class_orig: ditrigonal-pyramidal

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: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m


point_group_structure_orig: symmetric

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b e


species: I Mg

Egap_DOS_type: insulator

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c


Bravais_lattice_orig: MCLC

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: i i

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

point_group_structure: cyclic

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic

reciprocal_lattice_type: MCLC

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


Wyckoff_letters: c d


species: I Ni

sg:
Pnna #52
Imma #74
Imma #74

sg2:
Pnna #52
Imma #74
Imma #74

Wyckoff_letters_orig: e e

Wyckoff_letters: h i

Wyckoff_letters: e a


sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Ge I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a a a


species: Ag I

species_pp: Ag I


species: I Sn

species_pp: I Sn

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

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: c c


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a c k

Wyckoff_letters: b f

aflow_prototype_params_list_relax: a c/a z3


species: I Pb

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

Wyckoff_letters_orig: b c c c c c c

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: b c c c c c c


species: Au Co

species_pp: Au Co


species: Mn Re

Wyckoff_letters_orig: a c


species: W Zr

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI

Wyckoff_letters: a b


species: Cu I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

Wyckoff_letters: e e


sg:
Pbcn #60
Ibam #72
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: Au Mn


species: Ta W


species: Nb Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Rh Tc

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cd Hg

species_pp: Cd Hg


species: Cr O

aflow_prototype_params_list_relax: a c/a x2


species: Cr Tc

aflow_prototype_params_list_orig: a c/a x2


species: Ir Re

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Mo Ta

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ho V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e

aflow_prototype_params_list_orig: a c/a z3


species: La Ta


species: Nb Tc


species: Ag La

species_pp: Ag La


species: Au Y


species: Fe Se


species: Pt Zr


species: Ru Ta


species: Fe Si


species: Cr La


species: Re W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Hf W


species: Hf Nb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


Wyckoff_letters: a c


species: Nb Ta

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_orig: a c/a x4

aflow_prototype_params_list_relax: a c/a x4


species: Nb V


species: Er In


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Mo Sc

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Rh Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cd Pt

species_pp: Cd Pt


species: Cr Rh

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb Ru

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Au Co

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

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


species: F Mn

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: O W

Bravais_lattice_relax: MCLC

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: 2/m m m m m

Wyckoff_site_symmetries_orig: m m m

Bravais_superlattice_lattice_type: MCLC

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m

Wyckoff_site_symmetries: m m m


species: Li Tc


species: H N

species_pp: H N

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cd O

species_pp: Cd O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a a a


species: Mg O


species: Cr Hg

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mg Se

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: Mn S


species: Cu Mg


species: Cr K

Wyckoff_letters_orig: a c


species: O Si

species_pp: O Si

Wyckoff_letters_orig: d e f g g g

Wyckoff_letters_orig: c c g g

Wyckoff_letters: d e f g g g

Wyckoff_letters: c c g g


species: K Li


species: Bi O


species: I Mn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Sc Zn

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Fe Sc


species: Li Ni

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: K O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Cr O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cr Ti

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: As Cd

species_pp: As Cd

Wyckoff_letters_orig: d e g

Wyckoff_letters_orig: g g g

Wyckoff_letters: d e g

Wyckoff_letters: g g g


species: Hg La

species_pp: Hg La


species: H Si

species_pp: H Si

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

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


species: Cu O

Wyckoff_letters_orig: e e


species: Cr Zn


Wyckoff_letters_orig: b l

Wyckoff_letters: b l


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: H Sc


species: Ca Cu


species: C Ir

species_pp: C Ir

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a c


species: O Re

crystal_class_orig: diploidal


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: a a

Wyckoff_letters: b a


species: Li Mo


species: Ca V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O

species_pp: Co O


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a b c

Wyckoff_letters: b a c


species: Pd W

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

reciprocal_lattice_type_orig: ORCF

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF

aflow_prototype_params_list_orig: a b/a c/a x2


species: Ca Ti


species: F V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ca Li


species: Mo Tc


species: Cl Os

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: O W

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Pt Sb

species_pp: Pt Sb


species: Mo O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters: e e


Wyckoff_letters: b h


species: Li Ni


species: Te Zn

species_pp: Te Zn

crystal_class_orig: hexoctahedral


species: Fe K


species: Li Mn


species: Ti Zr


species: Bi O


species: Cu Ir

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cd Os

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: F Ni

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Si Yb

species_pp: Si Yb


species: Nb O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Sc Ti


species: O Sn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Re Ru


species: Ta Zr


species: Al Re

Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: a i i i i i

Wyckoff_letters_orig: i i

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: a i i i i i

Wyckoff_letters: i i


species: Bi Ti


species: F Zn

species_pp: F Zn

sg:
Pbcn #60
Pbcm #57
Pbcm #57

sg2:
Pbcn #60
Pbcn #60
Pbcm #57

Wyckoff_letters_orig: c c d

Wyckoff_letters: c d


species: F Mn

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: I Li

crystal_class_orig: ditetragonal-dipyramidal


species: Au In

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Co O

Wyckoff_letters_orig: a a c c d

Wyckoff_letters_orig: a a c d d

Wyckoff_letters: a a c c d

Wyckoff_letters: a a c d d


species: O Pt

species_pp: O Pt


species: O Sc

Wyckoff_letters_orig: i i i i


Wyckoff_letters_orig: a b d

Wyckoff_letters: a c


species: O Rh

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Ni O

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: b b b

Wyckoff_letters_orig: a b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: b b b

Wyckoff_letters: a b


species: La Re

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: I Mg

crystal_class_orig: ditrigonal-scalahedral


species: C Cr

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c

Wyckoff_letters: c c c


species: Er Hg


species: Co Mg

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: F Sb

species_pp: F Sb


species: O Sn


species: O Sr

crystal_class_orig: orthorhombic-pyramidal


species: Mo Zn

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: c i

Wyckoff_letters: c 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: Cr Ni


species: I Ti

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f


species: Cr O

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Dy Te

crystal_class: ditetragonal-dipyramidal


species: Ge Ho

crystal_class: orthorhombic-bipyramidal


species: Mo O

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: I Nb

crystal_class_orig: ditrigonal-pyramidal

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

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

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

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


species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: I Mn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ir La

species_pp: Ir La

crystal_class: hexoctahedral


species: Ge Se

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: Au Tc


species: Cd F

species_pp: Cd F


species: Rh Si

crystal_class_orig: tetrahedral

crystal_class: tetrahedral

point_group_Schoenflies: T

point_group_structure: alternating


species: Cr F

Wyckoff_letters_orig: i j

crystal_class: monoclinic-prismatic

Wyckoff_letters: i j


species: Au Y

crystal_class: dihexagonal-dipyramidal


species: Ca Ni


species: Fe K

crystal_class: ditrigonal-scalahedral


species: Mn Ni

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ti


species: F Nb

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c d


species: Ca Fe

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: Mn O

crystal_class: diploidal


species: Ca O

Wyckoff_letters_orig: i i i i

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

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i

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


Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ge Nb

Wyckoff_letters_orig: c l

Wyckoff_letters: c l


species: C Si

species_pp: C Si

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a a a b b b b b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a a a b b b b b


species: Ca Ti


species: Au O

species_pp: Au O


species: Fe O

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e e


species: K O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu K

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cr Li


species: Cu Rh


species: I Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: Cs Pb

Wyckoff_letters: b c


species: O Zr

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

Wyckoff_site_symmetries: m m m m m m


species: O Pb


species: I Tc


species: Sc W


species: S Si

species_pp: S Si

crystal_class_orig: tetragonal-scalenoidal


species: Co F

species_pp: Co F

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f f

Wyckoff_letters_orig: d f g g

Wyckoff_letters: d f f

Wyckoff_letters: d f g g


species: O Pd


species: Ca Ni

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ir Y


species: Ca F


species: O Ti


species: Nd O

species_pp: Nd O


species: O Ta

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mg O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: O Os

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Mg Si

Wyckoff_letters_orig: b c i i i i i

Wyckoff_letters_orig: i i i i

Wyckoff_letters: a b i i i i i

Wyckoff_letters: i i i i


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters: c d d

Wyckoff_letters: d d d d d d


species: O Re

crystal_class: orthorhombic-pyramidal


species: Fe Mg

crystal_class_orig: hexoctahedral


species: Au Ta

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O W

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

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


crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: e g

Wyckoff_letters_orig: b d

Wyckoff_letters: e g

Wyckoff_letters: b d


species: Pb Rb


species: Cu Ni

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn W

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: V W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co V

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Cr V


Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Cu Ti


species: Cu V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Mo


species: Fe Ni


species: Fe Ti


species: Mn Mo

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f


species: Mo W

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Co Fe


species: Co Mn


crystal_class_orig: ditetragonal-dipyramidal


species: Cr Mn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cr Mo


sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Cr W


species: Cu Fe

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu W


species: Fe Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mo Zn


species: Ti V


species: Ca Cl

Wyckoff_letters_orig: a a


species: O Pb


species: F Pb

Wyckoff_letters: a b


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hg Te

species_pp: Hg Te


species: Hg K


species: Hg Li

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg Rb


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca Cs

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Ca Nb


Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cs Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Rb


species: Nb Pb

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Nb Rb

Wyckoff_letters_orig: a c


species: Rb Ta


species: K Ta


species: Cl Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cs F


species: Cr Sm


species: Fe Pr


species: Ce Zn

species_pp: Ce Zn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Pr

crystal_class_orig: dihexagonal-dipyramidal


species: Gd Ni


species: Nd Ni


species: Er Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ce Tm

species_pp: Ce Tm


species: Ce V


species: Cu Yb


species: Dy Sm


species: Er Ni


species: Eu Pm

species_pp: Eu Pm

crystal_class_orig: ditrigonal-scalahedral


species: Eu V


species: Ho Ni

Wyckoff_letters: a c


species: Mn Tb


species: Pm Tb


species: Pm V


species: Al I

species_pp: Al I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Hg I

species_pp: Hg I

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


sg:
Cc #9
Cc #9
Cc #9

sg2:
Cc #9
Cc #9
Cc #9


species: I Zr

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

Wyckoff_letters_orig: i i i

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

Wyckoff_letters: i i i


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Mn O

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: Nb V

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ni Pd

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ni Re

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cr Pd


species: Cr Y

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Pd Sc

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Tc Zr


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Hg Y

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Ti

Wyckoff_letters_orig: a c


species: O Sr


species: Pt Zn

species_pp: Pt Zn


species: Sc Zn


species: Pd Ta


species: Rh Ta


species: Al O

species_pp: Al O


species: Au La

species_pp: Au La


species: Ni Y

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: La Mn


species: Hg V

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


species: Mn Ta


species: Cd Mn


species: Cu La


species: Ca I

Wyckoff_letters_orig: d c

Wyckoff_letters_orig: b a f


species: Cr I

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: I K


species: I Mg

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


Wyckoff_letters_orig: a f


sg:
Fmmm #69
Fmmm #69
Fmmm #69

sg2:
Fmmm #69
Fmmm #69
Fmmm #69


species: I Ni

Wyckoff_letters_orig: i h

Wyckoff_letters_orig: c a e

Wyckoff_letters: d a


species: I Zr

crystal_class_orig: hexagonal-pyramidal

crystal_class: hexagonal-trapezoidal


species: Ag I

species_pp: Ag I

sg2:
Pma2 #28
Pbcm #57
Cmcm #63

Wyckoff_letters_orig: c c


species: I In


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a


species: Co Os


species: Co Re

Wyckoff_letters_orig: a b


species: Cs F


species: Fe Gd


species: Mo Y


species: Ni Rh


species: Cu I

Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a h j j k k n

Wyckoff_letters: a h j j k k n


species: Ga I

Wyckoff_letters_orig: g j

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters: g j

Wyckoff_letters: i i i j j j


species: Cu Pt

Wyckoff_letters_orig: a d


species: Re Ta


species: Ag Sc


species: Hf Pt

Wyckoff_letters: a b


species: Ni Tc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cu Gd


species: Hf La


species: O Sr


species: Rh V


species: Ru Tc

crystal_class_orig: tetrahedral

Wyckoff_letters: c e d


species: Au Hg

species_pp: Au Hg

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo S

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Os Tc


species: Re Rh

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Hf Mo

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Hf V


species: Mo Nb


species: Hf Ti

Wyckoff_letters_orig: b c


species: Nb Ti


species: Pd Y


species: Ta V

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo Y


species: Os Sc


species: Os Ti

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Si Sr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Rh Tc


species: La Os


species: O Tb

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Ca Cu


species: Ni Ta


species: Ag Se

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b


species: Nb Sn


species: Ca Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Co La

species_pp: Co La

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Co


species: Se Zr

Wyckoff_letters_orig: g g g

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters: g g g

Wyckoff_letters: g g g g g g


species: O Ti

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


species: Ca Zn


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Li Mn


crystal_class: ditetragonal-dipyramidal


species: I O

species_pp: I O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i i i i


species: Ge Nb

Wyckoff_letters_orig: c c d

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c d


species: Bi Cs

Wyckoff_letters_orig: a d


species: C Re

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: F Ti

Wyckoff_letters_orig: a e i

Wyckoff_letters: a b i


Wyckoff_letters_orig: a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m

Wyckoff_letters: a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m


species: I Mn

Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Fe W


species: Mn O

crystal_class_orig: diploidal


species: I Ti

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Co Li

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: K O

Wyckoff_letters_orig: g f

Wyckoff_letters: a d


species: F Ir

species_pp: F Ir

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: c f

crystal_class: rhombohedral

Wyckoff_letters: c f


species: O Ru

crystal_class: tetrahedral


species: Fe O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: I Tc

crystal_class: monoclinic-prismatic

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: Nb O

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b

Wyckoff_letters: f f


crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e f

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e f


species: Li O

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cu O


species: O Sr

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


crystal_class_orig: ditetragonal-dipyramidal


species: La Nb

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: V Zn


species: La Rh


species: F Ti


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: O Sn

species_pp: O Sn

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

Wyckoff_letters_orig: h i

crystal_class: gyroidal

point_group_Schoenflies: O

Wyckoff_letters: h i


species: Ir Ru

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: O Zn

species_pp: O Zn

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c

crystal_class: orthorhombic-sphenoidal


species: Ni O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: c f f


species: Li V

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Ti


species: Cd F

species_pp: Cd F

crystal_class_orig: orthorhombic-pyramidal

crystal_class: orthorhombic-pyramidal


species: Cr Li


species: Li Zn

Wyckoff_letters: a c


species: I Mn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Zr

crystal_class_orig: tetrahedral


species: I Ti

Wyckoff_letters_orig: a a


species: Se Zn

species_pp: Se Zn

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Ge Se

crystal_class_orig: hexagonal-trapezoidal


species: O W

Wyckoff_letters_orig: a c e

Wyckoff_letters: a c e


species: Nb O


species: Cr O


species: Ag Co

species_pp: Ag Co


species: Bi Ti


crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: I Zn


species: Cr Hf


species: Co K

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

Wyckoff_letters_orig: b l


species: F Mn

Wyckoff_letters: a a


species: Ca Tc


species: Zn Zr

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Fe O


species: O Sn


species: Se Sn

species_pp: Se Sn


species: Ba Sb


species: Li O

Wyckoff_letters_orig: a b c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a


species: Cu Mn


species: O Sr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


species: I Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: F Ti

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: O W

Wyckoff_letters: a d


species: O Tb

crystal_class_orig: diploidal

crystal_class: diploidal


species: F Ni


species: Fe Th

crystal_class: ditetragonal-dipyramidal


species: O Tc


species: Nb Zr

crystal_class_orig: dihexagonal-pyramidal


species: O Zr

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: d c


species: O S

species_pp: O S

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ho Pt

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


Wyckoff_letters_orig: g g

Wyckoff_letters: i j


species: Nb O


species: Ag Pd


species: O Zn


species: Co Li

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Fe K


Wyckoff_letters_orig: c f

Wyckoff_letters_orig: a c

Wyckoff_letters: c f


species: Te Zr


species: Ca Mg


species: As Rh


species: O V

crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Co Sc


sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cu O


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters: a c


species: I Mg


species: Pb Pt


Wyckoff_letters_orig: d c e

Wyckoff_letters: c d e


species: Co O

species_pp: Co O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: a h


species: Mo Sc

crystal_class_orig: hexoctahedral


species: Nb Sc

Wyckoff_letters: a b


species: Li Mg


species: Ag Hf

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Fe Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Mg Si


species: O Se

species_pp: O Se

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b


species: N Ta

Wyckoff_letters_orig: a d


species: Cu Nb

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Zn


species: Cd Zn

species_pp: Cd Zn

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co Ir

species_pp: Co Ir


species: Cr W


species: I Tc


species: Fe I


species: O Zr

Wyckoff_letters_orig: e e


species: Ca Fe


species: Fe Hg


species: Pr S

species_pp: Pr S

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Nd

species_pp: F Nd

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: N Nb

Wyckoff_letters: a d


species: O Rh

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c


species: K O

sg:
Imma #74
Imma #74
Imma #74

sg2:
Imma #74
Imma #74
Imma #74

Wyckoff_letters_orig: c a e

Wyckoff_letters_orig: i h

Wyckoff_letters: a c e

Wyckoff_letters: h i


species: Cr O

crystal_class_orig: trigonal-trapezoidal


species: I Mn


species: F Ni


species: O Zn


species: O W

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Cd O

species_pp: Cd O

crystal_class: hexagonal-trapezoidal


species: Au Mn


species: F V

sg2:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Li Sb

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters: d d c d


species: Hg Ir

species_pp: Hg Ir

crystal_class: tetrahedral


species: Fe Ni


species: La Nb

crystal_class_orig: ditrigonal-scalahedral


species: Cu O


crystal_class_orig: monoclinic-prismatic


species: Ca V

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters: e e

Wyckoff_letters: b a e e e


species: Se Zn

crystal_class_orig: tetrahedral


species: Ni O

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: F Ti


species: Li Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Pb


species: O Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: Co Cu

Wyckoff_letters_orig: e e


species: Co Zn

species_pp: Co Zn

crystal_class: hexoctahedral


species: Cr Ti

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Cr W

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cu Ti

Wyckoff_letters: a d


species: Cu Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Fe Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Fe V


species: Fe W

Wyckoff_letters_orig: c g

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: c g


species: Fe Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Mn Ni


species: Mo Ni


sg2:
Pnma #62
Pnma #62
Imma #74

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Ti


species: Mo W


species: V W

crystal_class_orig: diploidal


species: V Zn


species: Co Fe


species: Co W


species: Cr Mo


species: Cu Fe


species: Cu Mo


species: Fe Ni

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mn Mo

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mn V


species: Mn W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Mn Zn


Wyckoff_letters: c d e


species: Mo Zn

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Ni W


species: Ti W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ti Zn


species: Hg Rb


species: Hg Ho


species: Hg K


Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hg Li


species: Hg Mg


Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Te

species_pp: Hg Te

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Ca Nb


species: K Nb


species: K Rb

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Nb Pb


species: Pb Ta


species: Cl Ta


species: O Pb

sg:
Pbcn #60
Pbcm #57
Pbcm #57

sg2:
Pbcn #60
Pbcn #60
Pbcm #57

Wyckoff_letters_orig: c c d


species: Cl Nb

sg:
Ama2 #40
Cmcm #63
Cmcm #63

sg2:
Ama2 #40
Cmcm #63
Cmcm #63

Wyckoff_letters: a c


species: O Sm

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Dy Ho

crystal_class: ditrigonal-scalahedral


species: Fe Pm

Wyckoff_letters_orig: c d e


species: Ni Tb


species: Ce Er


species: Ce Zn

species_pp: Ce Zn


species: Fe Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cr Pr


species: Dy Mn


species: Co Ho

Wyckoff_letters_orig: a c


species: Cu Er


species: Cu Nd


species: Dy Sm


species: Er Tb


species: Gd V


species: Ho V


species: Mn Sm


species: Pm Pr

species_pp: Pm Pr


species: Pr Zn

species_pp: Pr Zn


species: Tb Yb


species: Ba I

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cr I


species: Fe Y


species: Hf Mo


species: Hf Ti


species: Hg Zr


species: La Os

crystal_class: monoclinic-prismatic


species: Nb Y


species: Pd Ru


species: Ir Re


species: Cd Nb


species: Cd Os


species: I Mn


species: Ir Ti


species: Pd Ti

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: V Y

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: La Zr

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Mo Ru

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cr Ir


species: Cu Pt


species: La Ta


species: Pt Sc


species: Gd Zn

species_pp: Gd Zn


species: Hf Pt


species: Ir W


species: Pd Rh


species: Co Pt

species_pp: Co Pt


species: Cr I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a b c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a b c


Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c h

Wyckoff_letters: d a


species: Fe I


species: I K

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I Ni

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


species: Cd I

species_pp: Cd I


crystal_class_orig: hexoctahedral


species: I Sb

species_pp: I Sb

aflow_prototype_params_list_orig: a c/a y2

aflow_prototype_params_list_relax: a c/a y2


species: Ba I

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

point_group_structure: trivial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: I Pb


species: Ag Cr

crystal_class_orig: orthorhombic-bipyramidal


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Os Sc

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a d


species: Re Y

crystal_class: ditrigonal-dipyramidal


species: Cu I


species: I Zn

species_pp: I Zn


species: Al I

species_pp: Al I

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Co Re


species: Hg Ni

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Co Pt


species: Cd Ru

crystal_class_orig: ditetragonal-dipyramidal


species: Mo Re

Wyckoff_letters: a d


species: Ir Ti

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: W Zr


species: Rh Y


species: Ni Y

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Hf Ta


species: Mo Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ta Ti


species: Nb Ti


species: Ta Zr


species: Hg Mg

Wyckoff_letters_orig: c c


species: Mn Zr


species: Pd Sb

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Cu

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Er Ho


species: Mn S

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Os W

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Re Ru


species: Au Pt

species_pp: Au Pt


species: Ta Y


species: Ir Zr


species: S Sr


species: Ta Tc

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Co Ir

species_pp: Co Ir


species: Ru Zn

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: O Sr


species: O Ru

crystal_class_orig: hexagonal-trapezoidal


species: I O

species_pp: I O


species: K O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: La Ru

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

Wyckoff_letters_orig: a b c c c

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

Wyckoff_letters: a b c c c


species: Cr K


species: Dy O

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Pd

crystal_class_orig: ditrigonal-scalahedral


species: O Ti

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a


species: N Os

crystal_class: orthorhombic-pyramidal


species: Cr O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Co Cr

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b f


species: F Sb

species_pp: F Sb


species: Au Mn

crystal_class: ditetragonal-dipyramidal


species: Br Yb

species_pp: Br Yb

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Ca Cu

Wyckoff_letters_orig: a d


species: Cd W


species: C Nb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a g h

Wyckoff_letters_orig: i j

Wyckoff_letters: a g h

Wyckoff_letters: i j


species: Pd Zr


species: Ca V


species: Cd O

species_pp: Cd O


species: B O

Wyckoff_letters_orig: a a a

Wyckoff_letters: a a

Wyckoff_letters: a a a


species: B N

crystal_class_orig: tetrahedral


species: Cr Mn


species: Pd Ru


species: Al Y

Wyckoff_letters_orig: d f g

Wyckoff_letters: d f g


species: O W

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c d d

Wyckoff_letters_orig: c d

Wyckoff_letters: c c d d

Wyckoff_letters: c d


species: I Ti


species: O Sr

Wyckoff_letters: a d


species: O V

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: d e

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: d e


species: Bi Ca

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr P

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c c d e

Wyckoff_letters_orig: a b e

Wyckoff_letters: a b c c d e

Wyckoff_letters: a b e


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ga Ir

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a a a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a a a a


species: Ca Tc

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Cd Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Pb


species: Fe O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e


species: La Sc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ba N


species: Co W

crystal_class: hexoctahedral


species: In K


species: Cu Li

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters: b l


species: Li Tc

Wyckoff_letters_orig: a d

crystal_class: dihexagonal-dipyramidal


species: Cl W

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Ca Li

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Os W


species: Nb O


species: La Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Mn O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: Ca O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

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

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

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

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


species: F Mg

Wyckoff_letters_orig: c d d d

Wyckoff_letters_orig: a b d

Wyckoff_letters: c d d d

Wyckoff_letters: a b d


species: Cu F


crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c c c d e f f f

Wyckoff_letters_orig: f f f f f f f f

crystal_class: rhombohedral

Wyckoff_letters: a b c c c d e f f f

Wyckoff_letters: f f f f f f f f


species: O Sb

species_pp: O Sb

Wyckoff_letters_orig: h h h

Wyckoff_letters_orig: c e h

Wyckoff_letters: h h h

Wyckoff_letters: c e h


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Mg Te


species: Ca Mg

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ti V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cu Zn


species: O Zn

species_pp: O Zn

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: F Y

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ni Sn

crystal_class_orig: dihexagonal-dipyramidal


species: F Os

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


crystal_class_orig: ditetragonal-dipyramidal


species: Ca Cu

crystal_class: ditrigonal-scalahedral


species: O Sr

Wyckoff_letters_orig: i i i i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i i

Wyckoff_site_symmetries: m m m m m


species: K O


species: As Ga


species: O Zr

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a b

Wyckoff_letters: a a b c e


crystal_class_orig: ditrigonal-dipyramidal


species: Ni Zn


species: Au Mo


species: Cd V


species: I Zn


species: I Ti

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: O Rh


species: Mo Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Nb O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a b b

Wyckoff_letters: a a

Wyckoff_letters: a b b


species: Ca Ge

Wyckoff_letters_orig: c c


Wyckoff_letters: c c


crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Li O


species: Ca Co

crystal_class_orig: ditrigonal-scalahedral


species: Cu O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: f f

Wyckoff_letters: c e

Wyckoff_letters: f f


species: Ti Zr

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: F Ti

Wyckoff_letters_orig: a a a a

Wyckoff_letters: a a a a


species: O Pr

species_pp: O Pr

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: F V

sg:
Cmme #67
Cmme #67
Cmme #67

sg2:
Cmme #67
Cmme #67
Cmme #67

Wyckoff_letters_orig: a g i n

Wyckoff_letters_orig: c f

Wyckoff_letters: a g i n

Wyckoff_letters: c f


species: Al N

species_pp: Al N

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: f i

Wyckoff_letters: b c

Wyckoff_letters: f i


species: Li Ti


species: Cu Mg


species: O Sr


Wyckoff_letters_orig: g l

Wyckoff_letters: g l


species: Mg O

Wyckoff_letters: a e e


species: Li Mg


species: Ni O

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b c e

crystal_class: gyroidal

Wyckoff_letters: a c d

Wyckoff_letters: b c e


species: Ca O

sg:
Pbcm #57
Pbcm #57
Pbcm #57

sg2:
Pbcm #57
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a d d

Wyckoff_letters: a d d


species: Ag Pt

species_pp: Ag Pt

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: As Tb


Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sn

species_pp: O Sn

crystal_class_orig: orthorhombic-sphenoidal

crystal_class: orthorhombic-sphenoidal


species: Ca Mn


species: Ho Te


species: Ba Si

Wyckoff_letters_orig: d i k

Wyckoff_letters: d i k


species: Ge Sn


species: Co O

species_pp: Co O

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Li Mn

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Sc Si

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ir O

species_pp: Ir O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Cu Hf


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: I V

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_letters: a g f j

Wyckoff_letters: c b

Wyckoff_site_symmetries: mmm mmm mmm 2mm

Wyckoff_site_symmetries: mmm mmm

aflow_prototype_params_list_orig: a b/a c/a x6

aflow_prototype_params_list_relax: a b/a c/a x6


Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Sb Tb


species: F Zn

species_pp: F Zn

crystal_class_orig: ditrigonal-pyramidal

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

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

crystal_class: ditrigonal-pyramidal

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

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


species: F Sn

species_pp: F Sn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Nb O

sg:
Pnma #62
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c c


species: La Pt

species_pp: La Pt

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Mn

crystal_class_orig: monoclinic-prismatic


species: O Zn

Wyckoff_letters_orig: h k

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: h k


species: Cu Mg

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: O Zr


species: Ir Re


species: Co F

species_pp: Co F


species: O Sb

Wyckoff_letters: c e


species: Co K

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Mg


species: F Fe

Wyckoff_letters_orig: c d f

Wyckoff_letters: c d f


species: O V

Wyckoff_letters_orig: g h i

Wyckoff_letters: g h i


species: Hg O

species_pp: Hg O

sg:
Cmce #64
Cmce #64
Cmce #64

sg2:
Cmce #64
Cmce #64
Cmce #64


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e


species: C Li

Wyckoff_letters_orig: a c f i i

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a c f i i


species: Fe I


species: Pb S

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Mg


species: Co Ta

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn Ni


species: Ca Cr


species: Sn Te

species_pp: Sn Te


species: C Mg


species: O Sc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ru Zr


species: O Sb

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Pb


species: Cs O


species: Mg Pb


species: Mg Nb


species: Cr Mo

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mo

Wyckoff_letters: e e


species: Co Ti

sg:
Pmmn #59
Pmmn #59
Pmmn #59


species: Cr Cu


species: Cr V


species: Cu Mo


species: Cu V


species: Mn Mo

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Mo V

crystal_class_orig: diploidal

crystal_class: diploidal


species: Ni W


species: Ni Zn


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Ti

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Fe Mn

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Ti Zn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cl Ta


species: Hg Mg


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg Rb


species: Nb Rb


species: Ca Nb

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Hg Li


species: Cl Nb

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: h h


species: F Pb

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

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

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


species: O Pb


species: Eu Fe


species: Mn Pr


species: Fe Pr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ce Pm

species_pp: Ce Pm


species: Nd Pm

species_pp: Nd Pm


species: F Nb


species: Ce Fe


species: Ce Ti


species: Cr Yb


species: Dy Sm

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Er V


species: Nd Ni


species: Co I

species_pp: Co I

crystal_class_orig: triclinic-pinacoidal

crystal_class: triclinic-pinacoidal

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


species: I In


species: I Rb


species: I Ni


species: I Zr

Wyckoff_letters_orig: g g g g g g

Wyckoff_letters_orig: e g

Wyckoff_letters: g g g g g g

Wyckoff_letters: e g


species: Ag Nb

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Pd

crystal_class: dihexagonal-dipyramidal


species: Hf Pt

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Ti


species: Os Zn

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Pt Sc


species: Ru Ta


species: Tc W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Fe Tm


species: Hf Pd


species: Os V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pd Ti

Wyckoff_letters_orig: b f


species: Co Y


species: Cr Zr


species: Hg Sc


species: Pt Y

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Nb Zn


species: Cd Mo

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mn Pd

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Fe Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf Zr


species: Hg Rh

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ru Tc

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Nb Tc


species: Co I

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Fe I

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: n m


crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a

Wyckoff_letters: a a a a


species: I K

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a a a


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Mg

Wyckoff_letters_orig: a a b c e

Wyckoff_letters: a a b c e


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


crystal_class_orig: ditetragonal-dipyramidal


crystal_class: ditrigonal-scalahedral


species: I Ni


species: I Zr

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: a a a a a a b b

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

Wyckoff_letters: a a a a a a b b

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


species: I In

Wyckoff_letters_orig: b f i

crystal_class: hexagonal-trapezoidal

Wyckoff_letters: b f i


species: I Sn

species_pp: I Sn


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: Ba I


Wyckoff_letters: c c


species: I Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Hg W

crystal_class_orig: ditrigonal-dipyramidal


species: Cu I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Ga I

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Y Zn


species: La Ni

Wyckoff_letters: b d


species: Tc W


species: Pt Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Ti Zr

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Re Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Ag Ru

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mg Ni


species: Sc Ti


species: Ag Fe


species: Pd Rh


species: Hf Ta

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Mo Ta

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Nb Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Mo Nb

Wyckoff_letters_orig: c c


species: Au W


species: Os Ta


species: La Zr

crystal_class_orig: ditrigonal-scalahedral


species: Co Hg

species_pp: Co Hg


species: Cd Tc


species: Pt Ti


species: Pt V

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Re Zr

sg:
Fdd2 #43
Fddd #70
Fddd #70

sg2:
Fdd2 #43
Fddd #70
Fddd #70

Wyckoff_letters_orig: a b

Wyckoff_letters: a e


species: Co Os

crystal_class: tetrahedral


species: Fe Pd


species: Fe S

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Ga Ti


species: Ho Pb


species: Cu Zr


species: Os V


species: Ca Zn


species: O Ti

Wyckoff_letters_orig: a a b b c c

Wyckoff_letters_orig: a a b b

Wyckoff_letters: a a b b c c

Wyckoff_letters: a a b b


species: Sn Te


species: Cr Zr


species: Cu O

sg:
Amm2 #38
Cmmm #65
Cmmm #65

sg2:
Amm2 #38
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: c c d e

Wyckoff_letters: n g h


species: O V

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Mn Zn


species: I Ni


species: F Ni

Wyckoff_letters_orig: b b

Wyckoff_letters: b b


species: Pd Tc


species: Ni O


species: Mn O

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-disphenoidal

Wyckoff_letters: a d g

Wyckoff_letters: h h


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a


species: Li Ti

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: F K

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b b c a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b b c a a a


species: Ca Ti

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr V

Wyckoff_letters: a c


species: Mo Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ti V


species: Cr Fe

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: O Tb

sg:
Pccn #56
Ibam #72
Ibam #72

sg2:
Pccn #56
Ibam #72
Ibam #72


species: Hf O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: i m

Wyckoff_letters_orig: m m o

Wyckoff_letters: i m

Wyckoff_letters: m m o


species: O V

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: Cr Zr

Wyckoff_letters_orig: c d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: c d e


species: O Zr

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d


species: Ir Ta


species: Cd O

species_pp: Cd O


species: Au Cr


species: Fe O

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Li Ti

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Cu Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Pb

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: I O

species_pp: I O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Cu Sc

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Ho Pd


species: Mn O

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a i

Wyckoff_letters: i i j


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a a b b

Wyckoff_letters: b b

Wyckoff_letters: a a b b


species: Ba Si

sg:
P6/mmm #191
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: d n

Wyckoff_site_symmetries_orig: mmm m..

Wyckoff_letters: d n

Wyckoff_site_symmetries: mmm m..


species: I Nb

sg:
Pmna #53
Cmmm #65
Cmmm #65

sg2:
Pmna #53
Pmna #53
Cmmm #65

Wyckoff_letters_orig: e h

Wyckoff_letters: j g


species: Co Li

Wyckoff_letters_orig: e e


species: Ca Tc


species: Ca Cu

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pb Se

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ca O

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Hg Ir

species_pp: Hg Ir

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Sc

Wyckoff_letters_orig: a e

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: Co Pt

species_pp: Co Pt


species: O Sr

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Sn

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: c c d e

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: c c d e


species: Ca Li

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Pt Ti


species: S Sn

species_pp: S Sn


species: I V

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e

Wyckoff_letters: e e


species: Ag Sc


species: O Pb


species: Ni O

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: O W


species: O Rh

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: trigonal-pyramidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: O Tb

crystal_class_orig: hexagonal-trapezoidal


species: F Zn

species_pp: F Zn


species: Hf Ta


species: Li Mn

crystal_class: dihexagonal-dipyramidal


species: Co O

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Ti

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a


species: Rh Y


species: Fe Mg


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Ca Cr


species: Mn Ti


species: I Mn

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zr


species: Cl Pt

species_pp: Cl Pt


species: O Zn

species_pp: O Zn


species: Ni Os


species: O Sn

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: I Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ru V

crystal_class_orig: ditetragonal-dipyramidal

crystal_class: hexoctahedral


species: Pd Y


crystal_class: ditrigonal-scalahedral


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Co F


species: F V

Wyckoff_letters_orig: i i j j j j

Wyckoff_letters_orig: g i

Wyckoff_letters: i i j j j j

Wyckoff_letters: g i


species: O W

crystal_class: diploidal


species: Ag Ir

species_pp: Ag Ir


species: Ba N

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: La Sc

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Au La

species_pp: Au La


species: Li Zn


species: S Zn

species_pp: S Zn


species: Li Ni


species: Lu O

species_pp: Lu O

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b

Wyckoff_letters: a b

Wyckoff_letters: b b

Wyckoff_site_symmetries: .m .m


species: Co La

species_pp: Co La


species: Hf O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a d g h


crystal_class_orig: dihexagonal-dipyramidal


species: Ag Fe


species: Cd Co

species_pp: Cd Co

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: O Si

species_pp: O Si

Wyckoff_letters_orig: a b d f

Wyckoff_letters_orig: e d

Wyckoff_letters: c a f

Wyckoff_letters: d a


species: O Zn


species: W Zr

crystal_class_orig: hexoctahedral


species: Co O

crystal_class: tetrahedral


species: Cd Os


species: Ca K

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sc

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Rh Ta


species: Au F

species_pp: Au F


species: Cd Mn

crystal_class_orig: ditrigonal-scalahedral


species: I V


species: I Ti


species: O Ti


species: Cu I


species: N Nb


species: F Fe


species: Mn Ni


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: m m m n n n

Wyckoff_letters_orig: b c m n

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: m m m n n n

Wyckoff_letters: b c m n


sg:
Pnma #62
Pnma #62
Cmce #64


species: Co K

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Fe O

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: F Mn


species: Pb Te


species: Fe K

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Li Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Pt


species: Cu O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Ca Fe


species: Cd F

species_pp: Cd F


species: Ho O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Ta

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: Li Pb


species: K S

Wyckoff_letters_orig: a a a a a

Wyckoff_letters: a a a a a


species: Cr Ni

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71


species: Co Ti


species: Cr Mn


species: Cr Zn


species: Fe Mo

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe W

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mn V

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Mo Ni


species: Ti W


species: Co Cu


species: Cu Mn


species: Cu Ti


species: Mn W


species: Ni V


species: W Zn


species: Cl Nb


species: Hg Li


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te


species: Ca Nb


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Cs Rb


species: Mg Rb


species: Mg Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Pb


species: F Ta

Wyckoff_letters_orig: f h

Wyckoff_letters: f h


species: O Yb

species_pp: O Yb


species: Cu Eu


species: Ni Tb


species: Ho Ni

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co Tb


species: Cr Yb


species: Cu Nd


species: Er Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ho V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn Tb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Sm


species: Pm Sm


species: Pm V

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Pm Zn

species_pp: Pm Zn


species: Ti Yb


species: Ag I

species_pp: Ag I

crystal_class_orig: dihexagonal-pyramidal

crystal_class: dihexagonal-pyramidal


species: Cs I


species: I Sb

species_pp: I Sb

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd Ir

species_pp: Cd Ir


species: Cd Pd

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b l


species: Co Nb

sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Hf Ti


species: Nb Tc


species: Ru Y

crystal_class: ditetragonal-dipyramidal


species: Cu Pt


species: La Ni


species: Ru Sc


species: Re Tc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: W Y


species: Co Zr

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Hg Mn


species: Mo Pt

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: V Zr


species: Ni Os

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Pb

crystal_class_orig: monoclinic-prismatic


species: Co La

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: La Zr


species: Sc Zr


species: Cr Hg


species: Cr Y


species: Cu Zr


species: Mn Rh


species: Au Y

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co Pd

Wyckoff_letters: c e d


species: Hg Ru


species: Mn Pd


species: Ta Ti


species: Ti Zr


species: Ta Zn

Wyckoff_letters: c d e


species: Cd Y


species: Ca I

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: h k

Wyckoff_letters: c a

Wyckoff_letters: e k


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr I

sg:
Pmmn #59
Imm2 #44
Immm #71


species: I Mg


crystal_class_orig: ditrigonal-pyramidal


species: I Ni

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: a a a

Wyckoff_letters: a a a


species: Be I

sg:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


sg:
Cmce #64
Cmce #64
Cmce #64

Wyckoff_letters_orig: d f g g

Wyckoff_letters_orig: d f f

Wyckoff_letters: d f g g

Wyckoff_letters: d f f


species: Hg I

species_pp: Hg I

crystal_class_orig: orthorhombic-pyramidal


species: La Zn

species_pp: La Zn


species: Cd Fe


species: Re V


species: Cd Zr


species: Fe Ru

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Au Sc


species: Er Fe


species: Ir La

species_pp: Ir La


species: Pd Zn


species: Cr Ru

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf Os


species: Pt V

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Hg Sc


species: La Pd

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cd Ni


species: Hf Ir


species: Hg Rh


species: Ir Zn

species_pp: Ir Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: La Rh

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Ni Rh

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Os Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Se Si

species_pp: Se Si

Wyckoff_letters_orig: e e


species: Hf W


species: Rh Zn


species: Hf Mo


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hf Zr


species: Mo Nb


species: Mo Ta


species: Nb W

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: W Zr


species: Hf Nb


species: Hg Pt

species_pp: Hg Pt

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hg W

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ta Tc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ta Ti

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


species: Ta Zr

Wyckoff_letters_orig: b c


species: Ag Rh


species: Pt Zr


species: Ag Se


species: Fe Sb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Pt


species: Mg Pd


species: Nb O

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a b b

Wyckoff_site_symmetries_orig: m m m m m m 1 1

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a b b

Wyckoff_site_symmetries: m m m m m m 1 1


species: Au Sc


species: O Si

species_pp: O Si

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: c c d f

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: c c d f


species: La Mn

Wyckoff_letters: a f


species: O Tb


species: Co F

species_pp: Co F


species: K O

Wyckoff_letters_orig: a i i i

Wyckoff_letters_orig: c i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i i i

Wyckoff_letters: c i

Wyckoff_site_symmetries: 2/m m m m


species: O Sn

species_pp: O Sn


crystal_class_orig: orthorhombic-bipyramidal


species: O Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: d h

Wyckoff_letters: g h

Wyckoff_letters: d h


species: O Rh

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a


species: Co Ti

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: I O

species_pp: I O

Wyckoff_letters_orig: g g

Wyckoff_letters_orig: f e

Wyckoff_letters: g g

Wyckoff_letters: e f


species: Al Re

crystal_class_orig: diploidal


species: I Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: F Mg


species: Mn O


species: O W

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

Wyckoff_letters: f f


Wyckoff_letters_orig: a b c

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b c

Wyckoff_letters: a b


species: Co Mg


species: Nb O

Wyckoff_letters_orig: a g f j

Wyckoff_letters_orig: c b

Wyckoff_letters: a g f j

Wyckoff_letters: c b


species: Li Mn


species: Cu F


species: Cr F

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cu Rh

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b c


species: Hg Rb

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Li P

Wyckoff_letters_orig: a b c d d d d d

Wyckoff_letters_orig: c d

Wyckoff_letters: a b c d d d d d

Wyckoff_letters: c d


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


species: Ni O

Wyckoff_letters_orig: i i j

Wyckoff_letters: i i j


species: Br N

species_pp: Br N

crystal_class_orig: hexoctahedral


species: Ag Co

species_pp: Ag Co

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


Wyckoff_letters_orig: e e e e


species: F V


species: Ca V

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


species: Hf O

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c f

Wyckoff_letters: a c

Wyckoff_letters: c f


species: Cu O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Li Zn


species: Pt Si

species_pp: Pt Si

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

Wyckoff_letters: e e b i i i i c d


species: O Os

crystal_class_orig: tetragonal-dipyramidal


species: Ca Tc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Cu Os

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: I V


species: O Tb

Wyckoff_letters_orig: e e

Wyckoff_letters: d c


species: Ge Se

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b

Wyckoff_letters: a b c


species: F Zn

species_pp: F Zn

Wyckoff_letters_orig: a a a b b c

Wyckoff_letters_orig: b c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b b c

Wyckoff_letters: b c c


species: Ge Te


species: Cr O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Ca Mn

crystal_class: ditrigonal-scalahedral


species: Co O

species_pp: Co O


species: Ir Tc

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: O W

sg:
Pnma #62
Pbcm #57
Pbcm #57

sg2:
Pnma #62
Pbcm #57
Pbcm #57

Wyckoff_letters_orig: a b c c c c

Wyckoff_letters_orig: c c

Wyckoff_letters: a d d


species: Mg Pd

crystal_class: hexoctahedral


species: Tc W

crystal_class_orig: ditrigonal-dipyramidal


species: Re V

crystal_class: diploidal


species: Ir O

species_pp: Ir O


species: O Ti


species: O Tc

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Ta


species: Ag Ta

crystal_class_orig: tetrahedral


species: Cu Mo


species: Ag Ti


species: Ca K

sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Hg O

species_pp: Hg O


species: Li Tc

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Ca O

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e e


species: O Pb

sg:
Pnma #62
Pmmn #59
P4/nmm #129


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: d e

Wyckoff_letters: c f

Wyckoff_letters: d e


species: I Mg


species: Cr F

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: V W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd F

species_pp: Cd F

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


species: Co F

crystal_class_orig: ditrigonal-pyramidal

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: Pd Ti


species: Co O

Wyckoff_letters_orig: a b d

Wyckoff_letters: a b d


species: Li Mg

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Re

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Nb O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: La Sc

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cu Y

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


species: I O

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: F Fe

Wyckoff_letters_orig: a b c d e

crystal_class: tetrahedral

Wyckoff_letters: a b c d e


species: Ba Sb

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e e e e


species: Cr Li


species: Li O

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: c c


species: Co P

species_pp: Co P

crystal_class_orig: orthorhombic-bipyramidal

crystal_class: orthorhombic-bipyramidal


species: Co Pt

species_pp: Co Pt

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Os Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Pd Pt

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Pt V


species: Ge Se


species: Pb Se

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: N S

species_pp: N S


species: Cu O

crystal_class_orig: dihexagonal-pyramidal


species: Sc V


species: Cd Ni


species: Ca Mg


species: O Sc


species: Au Fe


species: Nb O


species: Ge O


Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: c f

Wyckoff_letters: e f f


species: O Ti

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Mn S


species: Fe Ti


species: F Mn

Wyckoff_letters_orig: i i i j j j

Wyckoff_letters_orig: i j

Wyckoff_letters: i i i j j j

Wyckoff_letters: i j


species: Cu Mg


species: Li Ti

crystal_class_orig: diploidal


species: Mo O

Wyckoff_letters_orig: c d


species: O Ta

Wyckoff_letters_orig: e e f f

Wyckoff_letters_orig: e e f

Wyckoff_letters: e e f f

Wyckoff_letters: e e f


species: Dy Ni


species: I V


species: Mn Pt

sg:
Pnnm #58
Pnnm #58
Immm #71


species: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a b e e e


species: Ca Li


species: O Re

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: S Sn

species_pp: S Sn


crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a b d

Wyckoff_letters: a d


species: O Yb

species_pp: O Yb


species: Cu Ti


species: Cd O

crystal_class: orthorhombic-pyramidal


species: I Ta

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: I Mn

Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Hf O

crystal_class: dihexagonal-dipyramidal


species: O Zr


species: Ca F

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Au Hf


species: Cr F

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b


species: Ag Cr

crystal_class_orig: dihexagonal-dipyramidal


species: O Si

species_pp: O Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


species: Cd Ta

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral


species: Ni O

crystal_class: hexoctahedral


Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Ag Hf

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Hf La

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: I Tc

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a b c


species: Lu S

species_pp: Lu S

crystal_class_orig: hexoctahedral


species: Nb Re


species: F Mg

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: d b i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: e a i


species: Co Ru

crystal_class: diploidal


species: Ir O

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Co Sc


species: Sc Ta

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O V

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a a b b

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a b b


species: O Pt

species_pp: O Pt

crystal_class_orig: orthorhombic-bipyramidal


species: Cu O

sg2:
Pmm2 #25
Pmmm #47
Pmmm #47

crystal_class_orig: orthorhombic-pyramidal


species: Ca Ti

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b h

aflow_prototype_params_list_orig: a b/a c/a x4


crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a b d

Wyckoff_letters_orig: a c d

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a b d

Wyckoff_letters: a c d


Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: O Si

Wyckoff_letters_orig: a b c e

crystal_class: monoclinic-prismatic

Wyckoff_letters: a b c e


species: Nb Tc


species: Mg Pb

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: a d

Wyckoff_letters: g f


species: Cr Ni


species: Cr Cu

Wyckoff_letters_orig: c c

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c c


species: Cr Fe


species: Cr Mn


species: Cr Ti

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: a h


species: Cr Zn

crystal_class: tetrahedral


species: Cu Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Cu Mo

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu V

Wyckoff_letters_orig: a d


species: Cu Zn


species: Mn Mo

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Mn Ni


species: Mo V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo Zn


species: Ti V


species: Ti Zn


species: Co Mn


species: Co W

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr V


species: Cu Ni


species: Cu Ti


species: Fe Mo


species: Fe W


species: Mn Ti


species: Mo Ni


species: Ni Ti

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

Wyckoff_letters_orig: b f

Wyckoff_letters: c e


species: Hg K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Se

species_pp: Hg Se


species: F Pb


species: Nb Rb

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Pb Ta


species: Rb Ta


species: F Nb

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: O Pb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a a

Wyckoff_letters: a a


species: Cl K


species: Cl Li


species: Ho O

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c


species: Dy O

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: O Sm

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c d

Wyckoff_letters: a h j

Wyckoff_letters: b h i


species: Ce Tb


species: Dy Pm

crystal_class_orig: ditrigonal-scalahedral


species: Pm V


species: Ge I

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Hf Ta

crystal_class_orig: diploidal


species: Nb Y

crystal_class_orig: dihexagonal-dipyramidal


species: Tc Y


species: Nb Re


species: Cd Ni

Wyckoff_letters: a d


species: Co Ta


species: Co Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Cr La

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf Rh


species: Hg Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Pt Ru

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Ru Zn


species: Cr Pd

crystal_class_orig: monoclinic-prismatic


species: Nb Pd


species: Re V


species: Cr Os


species: Hf Pd

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


species: Os V


Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d


species: Co Eu

species_pp: Co Eu


species: Ag Sc


species: Hf Mo

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Sc Tc

Wyckoff_letters: a f


species: Ag Pt

species_pp: Ag Pt


species: Ca I

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: Co I

species_pp: Co I

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: d c


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


crystal_class: hexagonal-trapezoidal


species: Cr I

Wyckoff_letters_orig: a c k

crystal_class: dihexagonal-dipyramidal

Wyckoff_letters: b f


species: Fe I

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: I Ni

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Be I

crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


species: Ge I


species: Ag I

species_pp: Ag I

crystal_class: ditrigonal-scalahedral


species: Cd I

species_pp: Cd I

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: I Sn


species: Ba I

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b


species: Hg I

species_pp: Hg I


species: I Pb

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


species: Au Os


species: Cd Sc

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu I

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_letters: c b

Wyckoff_letters: a g f j


species: Al I

species_pp: Al I

crystal_class_orig: hexagonal-trapezoidal


species: Ga I

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cs I


species: Ag Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Pt

species_pp: Co Pt

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hg Os

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Ir Mn


species: Cr Os

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Cu Re

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Zn Zr

sg:
Pnma #62
Pnma #62
Pnma #62

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ag Au

species_pp: Ag Au

Wyckoff_letters_orig: b l

Wyckoff_letters: b l

aflow_prototype_params_list_orig: a b/a c/a x3


species: Ir Y


species: Os Tc

aflow_prototype_params_list_orig: a c/a


species: La Y


species: Sc Si


species: Fe I

Wyckoff_letters_orig: a b c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: a b c c c

Wyckoff_letters: c c c c


species: As Sr


species: Au Sc


species: Ta V


species: V Zr

crystal_class_orig: tetrahedral


species: Hf Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Hf Ti


species: Mo Zr


species: Co O

species_pp: Co O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: F Sm

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Au Nb


species: Au Pd


species: Co Si

species_pp: Co Si


species: Fe Se

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Ir W


species: Ir Mo


species: Cd Ru


species: Sn Sr


species: Cu Li

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hf Ir

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Er O