species: I Ti

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: n m


species: F V

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-pyramidal

point_group_type_orig: polar

point_group_structure_orig: dihedral

Bravais_lattice_lattice_type_orig: HEX

Bravais_lattice_lattice_variation_type_orig: HEX

Bravais_lattice_lattice_system_orig: hexagonal

Bravais_superlattice_lattice_type_orig: HEX

Bravais_superlattice_lattice_variation_type_orig: HEX

Bravais_superlattice_lattice_system_orig: hexagonal

reciprocal_lattice_type_orig: HEX

reciprocal_lattice_variation_type_orig: HEX

Wyckoff_letters_orig: a b

crystal_family: hexagonal

crystal_system: hexagonal

crystal_class: dihexagonal-pyramidal

point_group_type: polar

point_group_structure: dihedral

Bravais_lattice_lattice_type: HEX

Bravais_lattice_lattice_variation_type: HEX

Bravais_lattice_lattice_system: hexagonal

Bravais_superlattice_lattice_type: HEX

Bravais_superlattice_lattice_variation_type: HEX

Bravais_superlattice_lattice_system: hexagonal

reciprocal_lattice_type: HEX

reciprocal_lattice_variation_type: HEX

Wyckoff_letters: a b


species: Li Ni

crystal_system_orig: trigonal

crystal_class_orig: ditrigonal-scalahedral

point_group_type_orig: centrosymmetric

crystal_system: trigonal

crystal_class: ditrigonal-scalahedral

point_group_type: centrosymmetric

aflow_prototype_params_list_orig: a c/a z2

aflow_prototype_params_list_relax: a c/a z2


species: Cu Mg

Bravais_lattice_orig: CUB

lattice_variation_orig: CUB

lattice_system_orig: cubic

Bravais_lattice_relax: CUB

lattice_variation_relax: CUB

lattice_system_relax: cubic

crystal_family_orig: cubic

crystal_system_orig: cubic

crystal_class_orig: hexoctahedral

Bravais_lattice_lattice_type_orig: CUB

Bravais_lattice_lattice_variation_type_orig: CUB

Bravais_lattice_lattice_system_orig: cubic

Bravais_superlattice_lattice_type_orig: 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

Wyckoff_letters_orig: a c

crystal_family: cubic

crystal_system: cubic

crystal_class: hexoctahedral

Bravais_lattice_lattice_type: CUB

Bravais_lattice_lattice_variation_type: CUB

Bravais_lattice_lattice_system: cubic

Bravais_superlattice_lattice_type: CUB

Bravais_superlattice_lattice_variation_type: CUB

Bravais_superlattice_lattice_system: cubic

reciprocal_lattice_type: CUB

reciprocal_lattice_variation_type: CUB

Wyckoff_letters: a c


species: Sn Te

species_pp: Sn Te

Bravais_superlattice_lattice_type_orig: BCC

Bravais_superlattice_lattice_variation_type_orig: BCC

Bravais_superlattice_lattice_type: BCC

Bravais_superlattice_lattice_variation_type: BCC


species: Ca Cr

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal

aflow_prototype_params_list_orig: a c/a x2

aflow_prototype_params_list_relax: a c/a x2


species: Ca F

Bravais_lattice_orig: BCT

lattice_system_orig: tetragonal

Bravais_lattice_relax: BCT

lattice_system_relax: tetragonal

crystal_family_orig: tetragonal

crystal_system_orig: tetragonal

crystal_class_orig: ditetragonal-dipyramidal

Bravais_lattice_lattice_type_orig: BCT

Bravais_lattice_lattice_system_orig: tetragonal

Bravais_superlattice_lattice_type_orig: BCT

Bravais_superlattice_lattice_system_orig: tetragonal

reciprocal_lattice_type_orig: BCT

Wyckoff_letters_orig: e e g

crystal_family: tetragonal

crystal_system: tetragonal

crystal_class: ditetragonal-dipyramidal

Bravais_lattice_lattice_type: BCT

Bravais_lattice_lattice_system: tetragonal

Bravais_superlattice_lattice_type: BCT

Bravais_superlattice_lattice_system: tetragonal

reciprocal_lattice_type: BCC

reciprocal_lattice_variation_type: BCC

Wyckoff_letters: e e g


species: O V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: P Y

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

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 f f

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 f f


species: Ni Sc

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: N Re

aflow_prototype_params_list_orig: a c/a

aflow_prototype_params_list_relax: a c/a


species: O Zn

species_pp: O Zn

Bravais_lattice_orig: ORC

lattice_variation_orig: ORC

lattice_system_orig: orthorhombic

Bravais_lattice_relax: ORC

lattice_variation_relax: ORC

lattice_system_relax: orthorhombic

crystal_family_orig: orthorhombic

crystal_system_orig: orthorhombic

crystal_class_orig: orthorhombic-pyramidal

Bravais_lattice_lattice_type_orig: ORC

Bravais_lattice_lattice_variation_type_orig: ORC

Bravais_lattice_lattice_system_orig: orthorhombic

Bravais_superlattice_lattice_type_orig: ORC

Bravais_superlattice_lattice_variation_type_orig: ORC

Bravais_superlattice_lattice_system_orig: orthorhombic

reciprocal_lattice_type_orig: ORC

reciprocal_lattice_variation_type_orig: ORC

Wyckoff_letters_orig: b c e e g

crystal_family: orthorhombic

crystal_system: orthorhombic

crystal_class: orthorhombic-pyramidal

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: b c e e g


reciprocal_lattice_type: BCT


species: Cd O

species_pp: Cd O

Bravais_lattice_orig: ORCC

lattice_variation_orig: ORCC

Bravais_lattice_relax: ORCC

lattice_variation_relax: ORCC

Bravais_lattice_lattice_type_orig: ORCC

Bravais_lattice_lattice_variation_type_orig: ORCC

Bravais_superlattice_lattice_type_orig: ORCC

Bravais_superlattice_lattice_variation_type_orig: ORCC

reciprocal_lattice_type_orig: ORCC

reciprocal_lattice_variation_type_orig: ORCC

Wyckoff_letters_orig: c c c

Bravais_lattice_lattice_type: ORCC

Bravais_lattice_lattice_variation_type: ORCC

Bravais_superlattice_lattice_type: ORCC

Bravais_superlattice_lattice_variation_type: ORCC

reciprocal_lattice_type: ORCC

reciprocal_lattice_variation_type: ORCC

Wyckoff_letters: c c c


species: La Sc

Bravais_lattice_orig: RHL

lattice_system_orig: rhombohedral

Bravais_lattice_relax: RHL

lattice_system_relax: rhombohedral

Bravais_lattice_lattice_type_orig: RHL

Bravais_lattice_lattice_system_orig: rhombohedral

Bravais_superlattice_lattice_type_orig: FCC

Bravais_superlattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: RHL

Wyckoff_letters_orig: b c

Bravais_lattice_lattice_type: RHL

Bravais_lattice_lattice_system: rhombohedral

Bravais_superlattice_lattice_type: RHL

Bravais_superlattice_lattice_system: rhombohedral

reciprocal_lattice_type: RHL

Wyckoff_letters: b c

aflow_prototype_params_list_orig: a c/a x3

aflow_prototype_params_list_relax: a c/a x3


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

sg2:
Pnnm #58
Pnnm #58
Immm #71

Bravais_lattice_relax: ORCI

lattice_variation_relax: ORCI

crystal_class_orig: orthorhombic-bipyramidal

point_group_Hermann_Mauguin_orig: mmm

crystal_class: orthorhombic-bipyramidal

point_group_Hermann_Mauguin: mmm

Bravais_superlattice_lattice_type: ORCI

Bravais_superlattice_lattice_variation_type: ORCI

aflow_prototype_params_list_relax: a b/a c/a x2


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: K Li

Bravais_lattice_orig: TET

lattice_variation_orig: TET

Bravais_lattice_relax: TET

lattice_variation_relax: TET

Bravais_lattice_lattice_type_orig: TET

Bravais_lattice_lattice_variation_type_orig: TET

Bravais_superlattice_lattice_type_orig: TET

Bravais_superlattice_lattice_variation_type_orig: TET

reciprocal_lattice_type_orig: TET

reciprocal_lattice_variation_type_orig: TET

Bravais_lattice_lattice_type: TET

Bravais_lattice_lattice_variation_type: TET

reciprocal_lattice_type: TET

reciprocal_lattice_variation_type: TET


species: I Mn

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr Sc

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Ag Co

species_pp: Ag Co

Bravais_lattice_orig: BCC

lattice_variation_orig: BCC

Bravais_lattice_relax: BCC

lattice_variation_relax: BCC

Bravais_lattice_lattice_type_orig: BCC

Bravais_lattice_lattice_variation_type_orig: BCC

reciprocal_lattice_type_orig: FCC

reciprocal_lattice_variation_type_orig: FCC

Bravais_lattice_lattice_type: BCC

Bravais_lattice_lattice_variation_type: BCC

reciprocal_lattice_type: FCC

reciprocal_lattice_variation_type: FCC


species: Cr Se


species: I Mg


species: La Ni


species: P Rb

Bravais_superlattice_lattice_type_orig: RHL

Bravais_superlattice_lattice_system_orig: rhombohedral


species: As Ti


species: F Mg

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Ni O

crystal_class_orig: orthorhombic-sphenoidal

point_group_type_orig: enantiomorphic

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a a a

crystal_class: orthorhombic-sphenoidal

point_group_type: enantiomorphic

Wyckoff_letters: a a

Wyckoff_letters: a a a a a


species: Br In

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63


species: Nb V

Bravais_lattice_relax: FCC

lattice_variation_relax: FCC

Wyckoff_letters_orig: b d

Bravais_lattice_lattice_type: FCC

Bravais_lattice_lattice_variation_type: FCC


species: O Sc

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_letters: e e e

Wyckoff_letters: e e e e

Wyckoff_site_symmetries: m m m

Wyckoff_site_symmetries: m m m m


species: Cd Hg

species_pp: Cd Hg


species: Ca Co

crystal_class_orig: tetrahedral

point_group_structure_orig: symmetric

crystal_class: tetrahedral

point_group_structure: symmetric


crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Ag Bi


species: Tb Tl

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co F

species_pp: Co F

Bravais_lattice_orig: FCC

lattice_variation_orig: FCC

Bravais_lattice_lattice_type_orig: FCC

Bravais_lattice_lattice_variation_type_orig: FCC

reciprocal_lattice_type_orig: BCC

reciprocal_lattice_variation_type_orig: BCC


species: Cd F

species_pp: Cd F

Wyckoff_letters_orig: c d f

Bravais_superlattice_lattice_type: TET

Bravais_superlattice_lattice_variation_type: TET

Wyckoff_letters: a d e


species: Ca V


species: Fe O


species: O Os

point_group_Schoenflies_orig: T

point_group_structure_orig: alternating

point_group_Schoenflies: T

point_group_structure: alternating


species: Ag Zr


species: O Ti


Wyckoff_letters_orig: a c f

Wyckoff_letters_orig: c f

Wyckoff_letters: a c f

Wyckoff_letters: c f


species: I Ti

Bravais_lattice_orig: MCLC

Bravais_lattice_relax: MCLC

Bravais_lattice_lattice_type_orig: MCLC

Bravais_superlattice_lattice_type_orig: MCLC

reciprocal_lattice_type_orig: MCLC

Wyckoff_letters_orig: f f

Bravais_lattice_lattice_type: MCLC

Bravais_superlattice_lattice_type: MCLC

reciprocal_lattice_type: MCLC

Wyckoff_letters: f f


species: La Os


species: Os Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: F Hg

species_pp: F Hg

Wyckoff_letters_orig: m n

Wyckoff_letters_orig: b c

Wyckoff_site_symmetries_orig: m m


species: Fe Pd


Wyckoff_letters_orig: c c


species: Cd Co

species_pp: Cd Co

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Co O

species_pp: Co O

Wyckoff_letters_orig: f f f k

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters: f f f k

Wyckoff_letters: c d e f k k


Bravais_superlattice_lattice_type: FCC

Bravais_superlattice_lattice_variation_type: FCC


species: Co Ti


species: I O

species_pp: I O

Wyckoff_letters_orig: e e e e e e e e

Wyckoff_letters: e e e e e e e e


species: O V


species: O Zn

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Ni O

Wyckoff_letters_orig: e e e

Wyckoff_site_symmetries: m m


Wyckoff_letters_orig: a e f

Wyckoff_letters: c e f


species: O Zr

sg:
Pmmn #59
Immm #71
Immm #71

sg2:
Pmmn #59
Immm #71
Immm #71

Wyckoff_letters_orig: a e e

Wyckoff_letters: a m

Wyckoff_site_symmetries: mmm .m.


species: F Zn

species_pp: F Zn

Wyckoff_letters: c c


species: F Mn


Bravais_lattice_orig: TRI

lattice_system_orig: triclinic

Bravais_lattice_relax: TRI

lattice_system_relax: triclinic

crystal_family_orig: triclinic

crystal_system_orig: triclinic

crystal_class_orig: triclinic-pedial

point_group_structure_orig: trivial

Bravais_superlattice_lattice_type_orig: TRI

Bravais_superlattice_lattice_system_orig: triclinic

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

crystal_family: triclinic

crystal_system: triclinic

crystal_class: triclinic-pedial

point_group_structure: trivial

Bravais_superlattice_lattice_type: TRI

Bravais_superlattice_lattice_system: triclinic


species: Os Ti


species: Cl In

crystal_class_orig: diploidal

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: b d

crystal_class: diploidal

Wyckoff_letters: a c d

Wyckoff_letters: b d


species: Mg Pb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Rb


species: In Th

Wyckoff_letters_orig: c f g

Wyckoff_letters_orig: c e

Wyckoff_letters: c f g

Wyckoff_letters: c e


species: Mg Nb

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ni Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


Wyckoff_letters_orig: c c


species: Cr Mo


species: Cu Mo


species: Cu Ni


species: Mn Mo

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Mo Ti

Wyckoff_letters: b c


species: Co Mn


species: Co Zn

species_pp: Co Zn


species: Cr Fe


species: Cr Mn

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cu V


species: Fe Ni

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Fe Ti


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo W


species: Ni V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ni W

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ti Zn


species: W Zn


species: F Pb


species: F Ta

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: Hg Ho


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Hg Mg


species: Hg Rb


species: Hg Te

species_pp: Hg Te


Wyckoff_letters_orig: b c

aflow_prototype_params_list_orig: a c/a z3

aflow_prototype_params_list_relax: a c/a z3


species: Ca Ta


species: K Ta


species: Li Ta


species: Mg Ta


species: Cl K


species: F Nb

crystal_class_orig: ditrigonal-pyramidal

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

Wyckoff_letters_orig: c c c c b

crystal_class: ditrigonal-pyramidal

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

Wyckoff_letters: c c c c b


Wyckoff_letters: c c


species: Co Eu

species_pp: Co Eu

Wyckoff_letters_orig: b d


species: Cr Pm


species: Sm Zn


species: O Pm

species_pp: O Pm

crystal_class_orig: rhombohedral

point_group_structure_orig: cyclic

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

point_group_structure: cyclic

Wyckoff_letters: a b c


species: Er V


species: Gd Ho


species: Mn Tb

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Eu Tb


species: Ni Pr


species: Co Mo

Wyckoff_letters_orig: a c


species: O Pb

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: m n

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


species: Cr V

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cr Fe

Wyckoff_letters_orig: d g


species: Ce Pm

species_pp: Ce Pm

Egap_DOS_type: metal


species: Co Ho

Wyckoff_letters_orig: a d


species: Co Sm


species: Cr Nd

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Er Tb

Wyckoff_letters: a d


species: Ho V


species: Pm V


species: I Pb

Egap_DOS_type: insulator


species: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Ba I

Wyckoff_letters_orig: c c


species: Cd I

species_pp: Cd I


species: Cr I

Egap_DOS_type: half-metal

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Cr Ru

sg2:
Pmmn #59
Immm #71
I4/mmm #139

Wyckoff_letters_orig: a e

Wyckoff_letters: a c


species: Hf Tc

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59


species: Hg W

Wyckoff_letters: d g


species: Ir La

species_pp: Ir La

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: La Sc

Wyckoff_letters_orig: c i

Wyckoff_letters: d i

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

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


species: Tc W


species: Ir Mo


species: Ce Pr

species_pp: Ce Pr

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Fe Yb


species: Hg Re


species: Nb Pd


species: Co Er


species: Cu Ru


species: Tc Ti


species: Au Mn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cd W

Wyckoff_letters_orig: b g

Wyckoff_letters: b g


species: Cr Ir


species: Cr Sm

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ru Sc


species: Ta Tc


species: Cd Rh

Wyckoff_letters: a e


species: Mo Sc


species: Ni Re


species: Pd Pt

Wyckoff_letters: c c


species: Y Zr


species: Yb Zn

species_pp: Yb Zn

Wyckoff_letters_orig: b i

Wyckoff_letters: b i


species: Al O

species_pp: Al O

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: Hg Nb

crystal_class_orig: hexoctahedral

crystal_class: hexoctahedral


species: Ag Mn

crystal_class_orig: dihexagonal-dipyramidal

crystal_class: dihexagonal-dipyramidal


species: Hg Y


species: Os Ru

sg:
Cmmm #65
Cmmm #65
Cmmm #65

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Bravais_superlattice_lattice_type_orig: ORCI

Bravais_superlattice_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a b/a c/a

aflow_prototype_params_list_relax: a b/a c/a


species: Fe O

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Fe I


species: I K

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: g h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: g h


species: I Li

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: I Ni

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: a b

Wyckoff_site_symmetries_orig: .m .m

Wyckoff_letters: b b

Wyckoff_letters: a b

Wyckoff_site_symmetries: .m .m


Wyckoff_letters_orig: c c


crystal_class: monoclinic-prismatic

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


species: Be I


species: I Zr

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


Wyckoff_letters_orig: a a a a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a a a a

Wyckoff_letters: a a


species: Ag I

species_pp: Ag I


Wyckoff_letters_orig: f g h h

Wyckoff_letters: f g h h


Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


species: Cd I

crystal_class_orig: monoclinic-domatic

point_group_Hermann_Mauguin_orig: m

reciprocal_lattice_type_orig: ORCI

reciprocal_lattice_variation_type_orig: ORCI

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m

Wyckoff_letters: i a

Wyckoff_letters: i i i


sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Bravais_lattice_orig: ORCI

lattice_variation_orig: ORCI

crystal_class_orig: orthorhombic-bipyramidal

Bravais_lattice_lattice_type_orig: ORCI

Bravais_lattice_lattice_variation_type_orig: ORCI

Bravais_lattice_lattice_type: ORCI

Bravais_lattice_lattice_variation_type: ORCI

reciprocal_lattice_type: ORCF


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: I Pb

Wyckoff_letters_orig: g j

Wyckoff_letters: g j


species: Hf Y

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cu I

crystal_class_orig: orthorhombic-pyramidal


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Al I

species_pp: Al I


species: I Sr


species: Ag Zn

species_pp: Ag Zn


species: Hf Ir

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Au W

Bravais_lattice_orig: ORCF

Bravais_lattice_relax: ORCF

Bravais_lattice_lattice_type_orig: ORCF

Bravais_superlattice_lattice_type_orig: ORCF

crystal_class: orthorhombic-pyramidal

Bravais_lattice_lattice_type: ORCF

Bravais_superlattice_lattice_type: ORCF

reciprocal_lattice_type: ORCI

reciprocal_lattice_variation_type: ORCI


species: Mo Nb

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Rh W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ti Y

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ru Ti

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ru V


species: Zn Zr


species: Hg Sc

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: W Zr


species: Ni Sc

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W

sg:
Cm #8
Cm #8
Cm #8

sg2:
Cm #8
Cm #8
Cm #8

Wyckoff_letters_orig: a a b b b

crystal_class: monoclinic-domatic

point_group_Hermann_Mauguin: m

Wyckoff_letters: a a b b b


species: Ag Ir

species_pp: Ag Ir

sg:
Pnnm #58
Pnnm #58
Immm #71

crystal_class: orthorhombic-bipyramidal


species: Hf W


Wyckoff_letters_orig: b l

Wyckoff_letters: b h

aflow_prototype_params_list_orig: a b/a c/a x3


species: Ba Se

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Hf Os

Wyckoff_letters_orig: b h


species: Hg Zr


species: Li S

Wyckoff_letters_orig: c c


species: Rh Y


species: Rh Zr

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Cd Rh


species: Ag Fe

Wyckoff_letters: c d e


species: Cd Mn


species: Ag Zn

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Fe Hf


species: Ba Te

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Mo Se

aflow_prototype_params_list_orig: a b/a c/a beta y2


species: Nb Pt


species: Ni Y

Wyckoff_letters: c c


species: Ni W


species: Ge S


species: Co Os


species: Co Zn

species_pp: Co Zn


species: Li Ti


species: Co Li

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: F Zr

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: Fe V

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Mo O

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60


species: Cd O

species_pp: Cd O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_site_symmetries_orig: m m 1


species: O Tc


species: Ca Tc

Wyckoff_letters_orig: a i

Wyckoff_letters: a f

aflow_prototype_params_list_relax: a b/a c/a x3


crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f


species: Co O

species_pp: Co O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: O Si

species_pp: O Si

reciprocal_lattice_type_orig: ORCF

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Li Mn

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Cu K

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Nb

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: As Zn

species_pp: As Zn

sg:
Pbca #61
Pbca #61
Pbca #61

sg2:
Pbca #61
Pbca #61
Pbca #61


species: O Ru

sg:
Pnma #62
Pnma #62
Cmcm #63

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Br Hg

species_pp: Br Hg

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: Nb Tc

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: O Tb

crystal_class_orig: tetragonal-trapezoidal


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: d c e


species: Cu O

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: F Fe

Wyckoff_letters_orig: c c


species: Au Os

crystal_class_orig: tetragonal-dipyramidal


species: Al Si

species_pp: Al Si

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: O Ti

aflow_prototype_params_list_orig: a b/a c/a x2


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: d d d d d d

Wyckoff_letters_orig: c d d

Wyckoff_letters: d d d d d d


species: Mn W

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ca Fe


species: Cd O


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: C Si

species_pp: C Si


species: Cu F


species: Fe O


species: Co V


species: Au Mn

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Cr O


species: Nb O

sg:
Pm #6
Pm #6
Pm #6

sg2:
Pm #6
Pm #6
Pm #6

Wyckoff_letters_orig: a a a b b b b b b

Wyckoff_letters_orig: a a a a a a a a a

Wyckoff_site_symmetries_orig: m m m m m m m m m

Wyckoff_letters: a a a b b b b b b

Wyckoff_letters: a a a a a a a a a

Wyckoff_site_symmetries: m m m m m m m m m


species: Al Cu


species: Ca Tc

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


Wyckoff_letters_orig: a c d

Wyckoff_letters: a h j

Wyckoff_letters: b h i


species: F Mn


species: Au O

species_pp: Au O

sg:
Cccm #66
Cccm #66
Cccm #66

sg2:
Cccm #66
Cccm #66
Cccm #66

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: O W

Wyckoff_letters_orig: i i i i i

Wyckoff_letters_orig: i i i

Wyckoff_site_symmetries_orig: m m m m m

Wyckoff_letters: i i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: m m m m m


species: Br Nb

Wyckoff_letters_orig: c c d d d d

Wyckoff_letters: c c d d d d


species: Ca Mn


species: Ca I


species: Cr Os


crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a b c c c c

Wyckoff_letters_orig: b c c c c c c c

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a b c c c c

Wyckoff_letters: b c c c c c c c


species: F Ti

Wyckoff_letters_orig: a f

Wyckoff_letters: a d


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Sn

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: O Sr

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a b


species: Er Si


species: Fe O

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c

Wyckoff_letters: c c c c


species: Pb Te

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: c b d d

crystal_class: trigonal-pyramidal

Wyckoff_letters: c b d d


species: Te Zn

species_pp: Te Zn

Wyckoff_letters_orig: j j

Wyckoff_letters: j j


species: Cd O


species: V Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a h


species: Cr O


species: Ca F

Wyckoff_letters_orig: a c d

Wyckoff_letters_orig: c d d d d

Wyckoff_letters: a c d

Wyckoff_letters: c d d d d


species: O Tc

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Pb S

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: O Pr

species_pp: O Pr


species: Sc Tc


Wyckoff_letters_orig: e e


species: Ir Ru

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Cu Y

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mg O

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Ca Co

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Cr F

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: F Mn

Wyckoff_letters_orig: h h

Wyckoff_letters: h h


species: Cr Mg

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: F Ti

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Co O

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


species: Li Ni

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Bi O

Wyckoff_letters_orig: a b


species: C O

species_pp: C O

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: a e g

Wyckoff_letters: b c

Wyckoff_letters: a e g


species: Ca Cl

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: e g i

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: e g i


Wyckoff_letters_orig: b e

Wyckoff_letters_orig: a c f l

Wyckoff_letters: b g

Wyckoff_letters: a c h p

Wyckoff_site_symmetries: mmm mmm 2mm ..m


species: Ir V


species: Ca V


species: Co Ru


species: Rh Y

sg:
Pnnm #58
Pnnm #58
Pnnm #58

sg2:
Pnnm #58
Pnnm #58
Pnnm #58


species: Co Cr

crystal_class_orig: hexoctahedral


species: O Y

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d c e f k k

Wyckoff_letters_orig: f f f k

Wyckoff_letters: c d e f k k

Wyckoff_letters: f f f k


species: Mg Ru

crystal_class_orig: gyroidal

point_group_Schoenflies_orig: O

crystal_class: gyroidal

point_group_Schoenflies: O


species: Ho Ni

sg:
Pnma #62
Pnma #62
Pnma #62

sg2:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: O Ti

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: F Ge


species: F Tb


species: Ca Cr

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co O

Wyckoff_letters_orig: e e


species: Be Ru

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a b b

Wyckoff_letters: a a a b b


species: F Sr

crystal_class_orig: orthorhombic-bipyramidal


species: O Sr


species: O W


species: Mn Zn

crystal_class_orig: ditetragonal-dipyramidal


species: Co Mn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


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

Wyckoff_letters_orig: a a a a

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

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

Wyckoff_letters: a a a a

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


species: Nb Zr

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Rh S

Wyckoff_letters_orig: a c f m

Wyckoff_letters_orig: e i j

crystal_class: hexoctahedral

Wyckoff_letters: a c f m

Wyckoff_letters: e i j


crystal_class: dihexagonal-dipyramidal


species: O Sn

crystal_class_orig: ditrigonal-scalahedral

crystal_class: ditrigonal-scalahedral


species: O V

Wyckoff_letters_orig: e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e


species: O Ta

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: a b

Wyckoff_letters: a e

Wyckoff_letters: a b


species: Cd Zr

crystal_class_orig: tetrahedral


species: Cu Ta


species: Ni Ti

Wyckoff_letters_orig: b h

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b h


species: Bi Nd


species: Co Li


aflow_prototype_params_list_orig: a b/a c/a y2


species: Co Ir

species_pp: Co Ir

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Li O


species: Hg Sm


species: Mn O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a


species: Ni Si


species: Mg Se


species: Fe Hg

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: B Mn


species: Ca N

Wyckoff_letters_orig: b f

Wyckoff_letters: b f

aflow_prototype_params_list_orig: a c/a z4

aflow_prototype_params_list_relax: a c/a z4


species: I Mg


species: Ca Tc


species: Ca O


species: Au N

species_pp: Au N


species: Li Mn


sg2:
Pnma #62
Pnma #62
Cmcm #63

aflow_prototype_params_list_relax: a b/a c/a y2


species: Ca K

sg:
Pmmm #47
Pmmm #47
Pmmm #47

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: H Li

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ca Pb


Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cs Pb

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Pb Rb


species: Mg Pb


species: Co Cr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Ti

Wyckoff_letters_orig: c i

crystal_class: orthorhombic-bipyramidal


species: Cr W

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Fe Ni


species: Mn W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: b e j


species: Mo Ti


species: Ni W


species: Cr Mo


species: Cu Fe

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Cu Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Fe Mn

Wyckoff_letters_orig: a b

crystal_class: orthorhombic-pyramidal


species: Fe W


Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: V Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: a c


species: Hg Se

species_pp: Hg Se


species: Hg Te

species_pp: Hg Te

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: F Nb


species: Ca Cs


species: Cs Li


species: Mg Rb


species: F Ta

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

crystal_class: trigonal-trapezoidal

Wyckoff_letters: c c c

Wyckoff_letters: a a


species: Dy V

Wyckoff_letters: a c


species: Nd O

species_pp: Nd O

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: a h

Wyckoff_letters: h h


species: Cu Er


species: O Pb

sg:
Pnnn #48
Pnnn #48
Pnnn #48

sg2:
Pnnn #48
Pnnn #48
Pnnn #48

Wyckoff_letters_orig: e g h i

Wyckoff_letters: e g h i


species: Ce Cr


species: Cr Yb


species: Cu Ho


species: Er Ho


species: Er Mn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Er Sm


species: Fe Ho

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Fe Pr


species: Pm Tb


species: Pm Zn

species_pp: Pm Zn


species: I Ni


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: d e g

Wyckoff_letters: d e g


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: I Sn

species_pp: I Sn

Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: a i

Wyckoff_letters: i i i

Wyckoff_letters: a i


species: Au Hf


species: Cd Y


species: Cu Eu


species: Fe Zr


species: Ir Ni

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ag Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Hf La


species: Os Rh

Wyckoff_letters_orig: c d e

crystal_class: tetrahedral

Wyckoff_letters: c e d


species: Ta Ti


species: Tc Y


species: Cd Os

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Au Cd

species_pp: Au Cd

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Hg Nb


Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Al O

species_pp: Al O


crystal_class_orig: triclinic-pinacoidal

point_group_orbifold_orig: x

Bravais_lattice_lattice_type_orig: TRI

Bravais_lattice_lattice_system_orig: triclinic

reciprocal_lattice_type_orig: TRI

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

point_group_orbifold: x

Bravais_lattice_lattice_type: TRI

Bravais_lattice_lattice_system: triclinic

reciprocal_lattice_type: TRI

Wyckoff_letters: i i


species: Au Tc


species: Cu Os


species: Nb Ta


species: Ag Rh

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Co Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Nb Zr

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ca I

crystal_class_orig: monoclinic-prismatic


species: Co I

species_pp: Co I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: b c

Wyckoff_letters_orig: c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: b c

Wyckoff_letters: c c


crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: I K


species: I Li

crystal_class_orig: hexoctahedral


species: I Mg


Wyckoff_letters_orig: b a f

Wyckoff_letters_orig: d c


crystal_class_orig: dihexagonal-dipyramidal


species: Ag I

species_pp: Ag I


species: Cd I

species_pp: Cd I


species: I Sn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: d d

Wyckoff_letters_orig: a c b


species: I Sb

species_pp: I Sb


species: Hg I

species_pp: Hg I


species: Co Nb


species: Cr La

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Cu I


species: I Zn

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


species: Al I

species_pp: Al I

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: f g

Wyckoff_letters: f g


species: Ga I


species: Nb Re


species: Pt W


species: Cd Pd


species: Cu Hg


species: Ir Zn

species_pp: Ir Zn


species: Co Hf

Wyckoff_letters_orig: c d e


species: Sc V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Y

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Sc Y


species: Fe Sc


species: Hf Zr


species: Mo Nb

crystal_class_orig: diploidal


species: Mo Zr


species: Nb W


species: Ta W


species: W Zr

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: As Cr

Wyckoff_letters_orig: i i


species: Ta Ti


species: Ag Hf

Wyckoff_letters: a d


species: Au Pd

Wyckoff_letters_orig: a b


species: Au Ru

Wyckoff_letters_orig: a c


species: Nb Re


species: Ni Ta


species: Pt Sc


species: La Sc

crystal_class_orig: orthorhombic-bipyramidal


species: Ag Nb


species: Rh Sc

crystal_class_orig: ditetragonal-dipyramidal


species: Mo Y


species: Eu Zn

species_pp: Eu Zn


species: Sr Zn


species: I Nb


species: O Re


species: Co Li

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ni O

Wyckoff_letters_orig: a f

Wyckoff_letters_orig: e f f

Wyckoff_letters: a f

Wyckoff_letters: e f f


species: Sc Tc

Wyckoff_letters_orig: b d


species: Nb Sc


species: Li O

Wyckoff_letters_orig: d e f

Wyckoff_letters_orig: c c

Wyckoff_letters: d e f


crystal_class_orig: ditrigonal-scalahedral


species: Ag Ni


species: Mg O


species: Fe Th

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: b c c


species: Nb O


species: Cd O

species_pp: Cd O


species: F Ni


species: O V

Wyckoff_letters_orig: g h i

Wyckoff_letters_orig: g h


species: O Ti

Wyckoff_letters_orig: b b

Wyckoff_letters: b b

Wyckoff_letters: a b


species: Cu Hf


Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: c c c


species: I La

species_pp: I La


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Cu Mo


species: Cr Ta

Wyckoff_letters: c c


species: O Sr


species: Mo Pd


crystal_class_orig: orthorhombic-pyramidal


crystal_class_orig: ditetragonal-pyramidal

crystal_class: ditetragonal-pyramidal


species: Al O

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e

Wyckoff_letters: e e e e e e


species: O Sc

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a c f l

Wyckoff_letters_orig: b e

Wyckoff_letters: a c h p

Wyckoff_letters: b g


species: F Mg

Wyckoff_letters_orig: a b


species: Nb Sn

sg:
Immm #71
Immm #71
Immm #71

sg2:
Immm #71
Immm #71
Immm #71

Wyckoff_letters_orig: e g k l

Wyckoff_letters_orig: f g h l

Wyckoff_letters: e g k l

Wyckoff_letters: f g h l


species: Ca Ti


species: O W

crystal_class: hexoctahedral


species: Ca Cr

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


crystal_class: dihexagonal-dipyramidal


species: Ca Tc

sg:
Pnma #62
Pnma #62
Imma #74

sg2:
Pnma #62
Pnma #62
Imma #74


species: Co K


species: Nb O

crystal_class: diploidal


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: W Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Ho O

sg:
Cmcm #63
Cmcm #63
Cmcm #63

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca F

crystal_class: ditetragonal-dipyramidal


species: O Ti

Wyckoff_letters_orig: a d

crystal_class: ditrigonal-scalahedral

Wyckoff_letters: a d


species: La Zn

species_pp: La Zn

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cs Pb

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: O Tl

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: a b b


species: Cr Pt


species: Fe Os

sg:
Pmmn #59
Pmmn #59
Pmmn #59

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b e


species: F Sb

species_pp: F Sb

crystal_class_orig: trigonal-trapezoidal

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


crystal_class_orig: monoclinic-prismatic


species: F Ni

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

Wyckoff_letters_orig: a f

Wyckoff_letters: a f


species: Ti V

crystal_class_orig: tetragonal-dipyramidal

crystal_class: tetragonal-dipyramidal


species: Se Sn

species_pp: Se Sn


species: F Li


species: Cr F


species: F V

crystal_class: orthorhombic-pyramidal


species: C N

species_pp: C N

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c m n

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c m n


species: Al Ni


species: O Ru

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i i


Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: f f

Wyckoff_letters: c e


species: N Zr

Wyckoff_letters: a e


species: Fe Mg

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O Tc

crystal_class_orig: hexoctahedral


species: Ca V


species: Co Li


species: Cr O

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_site_symmetries_orig: 2/m m m

Wyckoff_letters: a i i

Wyckoff_letters: d i i

Wyckoff_site_symmetries: 2/m m m


species: O Sc


species: Co Fe

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: O Ti

Wyckoff_letters_orig: a c g i

Wyckoff_letters_orig: l l l

crystal_class: trigonal-trapezoidal

Wyckoff_letters: a c g i

Wyckoff_letters: l l l


species: Cd Nb


species: Ni O


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: c c c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: c c c c

Wyckoff_letters: c c


species: B V


species: Ta W


species: Pb Pd


species: Ni Sb

crystal_class_orig: diploidal


species: Cu Ta

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Tc Y

crystal_class_orig: orthorhombic-bipyramidal


species: Ca O

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Sc W

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Hf Zn

Wyckoff_letters_orig: c c


species: Cu O

crystal_class_orig: ditrigonal-scalahedral


species: F Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Fe I


species: Se Sn


species: I V

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


species: Sn Te

species_pp: Sn Te

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Nb Ti


species: Rh W

crystal_class_orig: ditetragonal-dipyramidal


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: B Mo


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Gd O

species_pp: Gd O


species: Mo Re

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Nb Sc

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ir Tc


species: Bi Ti


species: O Os

Wyckoff_letters_orig: e e e


species: Cr Sb


species: Ca F

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Tl

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Mn O

sg:
Pbcn #60
Pbcn #60
P4/ncc #130

Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


species: Nb O


species: Fe O

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: O Tc

Wyckoff_letters_orig: e e


species: Hg Ir

species_pp: Hg Ir


species: Sc Zr

Wyckoff_letters_orig: a c


species: Ca Ti


species: N Pd


Wyckoff_letters_orig: i i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i i


species: O Ru

Wyckoff_letters_orig: a b b


species: Ni O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f f


species: Br Ca


species: Li Mg

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ca Zn

crystal_class_orig: dihexagonal-pyramidal


species: O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Li Mn


species: O Zr

Wyckoff_letters_orig: f i l

Wyckoff_letters: f i l


species: Ag Zr

Wyckoff_letters_orig: a d


species: Co Hg

species_pp: Co Hg


species: Ca O

Wyckoff_letters: a b b


species: Li Tc


species: O V

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

Wyckoff_letters_orig: a c i i i i i i i i

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

Wyckoff_letters: a c i i i i i i i i


species: As Ta


species: Cd O


Wyckoff_letters_orig: a b


species: O Sn


species: La Ti


Wyckoff_letters_orig: c g

Wyckoff_letters: c g


crystal_class_orig: trigonal-pyramidal

crystal_class: trigonal-pyramidal


species: Li Ni

Wyckoff_letters: a d


species: Ti Zn


species: Ca Ti


species: As Ca

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


crystal_class_orig: tetragonal-trapezoidal

crystal_class: tetragonal-trapezoidal


Wyckoff_letters_orig: a a

Wyckoff_letters: a a


species: K Pb

Wyckoff_letters: e e


species: O Rb


species: O Ta


species: Co Cr

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: a e

crystal_class: tetrahedral

Wyckoff_letters: a e


species: Cr Mn


species: Cr Mo

Wyckoff_letters: a c


species: Cu Mn


species: Fe Ni


species: Fe V


species: Mo Ni


species: Mo Ti

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Mo V


species: Ni V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ti V


species: W Zn

crystal_class_orig: monoclinic-prismatic


species: Co Cu

crystal_class: dihexagonal-dipyramidal


species: Co Mn


species: Co Ti

crystal_class: hexoctahedral


species: Co W


species: Cr Ti

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Zn


species: Mn Ni


species: Mo Zn


species: Ni Ti


species: Ni Zn


species: Hg Ho


species: Hg In

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


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Hg K


species: Hg Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Hg S

species_pp: Hg S


species: Cs K

Wyckoff_letters: a b


species: Cs Mg


species: Li Nb


species: Nb Pb


species: Rb Ta


crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: F Nb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: ditetragonal-dipyramidal


species: Cl Pb

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cl Rb


species: Cl Nb

Wyckoff_letters_orig: g i i

Wyckoff_site_symmetries_orig: 2 m m

Wyckoff_letters: g i i

Wyckoff_site_symmetries: 2 m m


species: Er O

crystal_class_orig: trigonal-trapezoidal


species: Eu O

species_pp: Eu O

crystal_class_orig: hexagonal-dipyramidal

crystal_class: hexagonal-dipyramidal


species: Cu Tb

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Dy Pm

crystal_class: ditrigonal-scalahedral


species: Er V

Wyckoff_letters_orig: b d


species: Co Nd

species_pp: Co Nd


species: Dy Ni


species: Ho V


crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i i


species: F Ta

Wyckoff_letters_orig: l l l

Wyckoff_letters_orig: a c g i

Wyckoff_letters: l l l

Wyckoff_letters: a c g i


species: Ti W

Wyckoff_letters: a c


species: Cu Dy

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ce Sm


species: Cu Nd


species: Ho Mn

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Nd Ni


species: Ni Pr

Wyckoff_letters_orig: a d

Wyckoff_letters_orig: g f

Wyckoff_letters: a d

Wyckoff_letters: g f


species: I In

crystal_class: orthorhombic-bipyramidal


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: I Sn

species_pp: I Sn

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cu Sc


species: Hf W


species: Ni Pd


species: Y Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Sc Zn


species: Au Y


species: Nb Y

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c


species: Au Cr

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: c c c

Wyckoff_letters: a h

Wyckoff_letters: c c c


species: Hf Ti


species: Ir Ta

crystal_class_orig: orthorhombic-bipyramidal


species: Fe Nb


species: Os Zr


species: Ru V


species: Hf V

crystal_class_orig: diploidal

crystal_class: diploidal


species: Co Ta


species: Cu Zr

Wyckoff_letters_orig: b l

Wyckoff_letters: b h


species: Hf Ta


species: Ag Mn


species: Au Zr

crystal_class_orig: ditetragonal-dipyramidal


species: Ca I

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: f f

Wyckoff_letters: c e f f f


species: Fe I

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a


species: I K

Wyckoff_letters_orig: i i i i

Wyckoff_letters_orig: i i

crystal_class: monoclinic-prismatic

Wyckoff_letters: i i i i

Wyckoff_letters: i i


species: I Li

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: b b


species: I Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


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

Wyckoff_letters_orig: a b l

Wyckoff_site_symmetries_orig: mmm mmm 2mm

Wyckoff_letters: a b l

Wyckoff_site_symmetries: mmm mmm 2mm

aflow_prototype_params_list_orig: a b/a c/a x4

aflow_prototype_params_list_relax: a b/a c/a x4


Wyckoff_letters: e e


species: I Ni

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters_orig: a a a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a a a a a

Wyckoff_letters: a a a a


species: Be I


species: I Si

species_pp: I Si


species: I In

Wyckoff_letters_orig: d e


species: Ba I


species: Ag Zr


species: Fe Zr

Wyckoff_letters: a c


species: Ta Y

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: c d d

Wyckoff_letters_orig: a d

Wyckoff_letters: c d d

Wyckoff_letters: a d


species: Cu I


sg:
Pbam #55
Pbam #55
Pbam #55

sg2:
Pbam #55
Pbam #55
Pbam #55

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: h g

Wyckoff_letters: a h

Wyckoff_letters: h g


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a b b

Wyckoff_letters: a b b


species: Al I

species_pp: Al I


species: Re Sc

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Os Pd


species: Pd Ti


species: Hf Ta

Wyckoff_letters_orig: a c


species: Ir Pt

species_pp: Ir Pt

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Ir W

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Cd Ir

species_pp: Cd Ir

Wyckoff_letters_orig: c i

Wyckoff_letters: d i


species: Nb Zn


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Cr Os

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Hf Mo


species: Ta V


species: Mo Zr


species: Ca Co


species: Hf Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Nb


species: Ta Ti


species: Rh Ru


species: Cr Rh


species: Ir Os


species: Re Y


species: Ag Ru

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: La Tc


species: Sc Y


species: F Sm


species: Mn Pt


species: Re W


species: Rh W


species: O Zr

sg:
Pbcn #60
Pbcn #60
Pbcn #60

sg2:
Pbcn #60
Pbcn #60
Pbcn #60

Wyckoff_letters_orig: d d d

Wyckoff_letters_orig: c c d

Wyckoff_letters: d d d

Wyckoff_letters: c c d


species: Fe Li


species: Ga Ni


species: O Sr


species: Cu Li

crystal_class_orig: dihexagonal-pyramidal


species: Cr Mn

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pb Se

crystal_class_orig: tetrahedral


species: Sc Ti

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Li Ni


species: Ca Fe


species: Cu F

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

sg2:
Fmmm #69
Fmmm #69
I4/mmm #139


species: F Mn

Wyckoff_letters_orig: a d

Wyckoff_letters: a c


species: Ca Li

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: O W

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e


species: Pb Sr


species: La Pt

species_pp: La Pt


species: Ni W


species: Ca Mg

Wyckoff_letters_orig: a f

Wyckoff_letters: a e


species: Co O

species_pp: Co O


species: I K


species: Cd O

species_pp: Cd O

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: f f f f

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: f f

Wyckoff_letters: f f f f


species: K Mg


species: O Os

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: b a d d

Wyckoff_letters_orig: c d

Wyckoff_letters: b a d d

Wyckoff_letters: c d


species: Ca Mn


species: O Sb

species_pp: O Sb

Wyckoff_letters: a d


species: Au Fe


species: Ca Zn

Wyckoff_letters: c e d


species: Nb O

aflow_prototype_params_list_relax: a c/a x1


species: Cr K


species: Co Zr


species: V Zn

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Co K

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Ca O


species: Fe Ni


species: Re Si


species: Sn Te

species_pp: Sn Te

crystal_class_orig: monoclinic-prismatic


species: Pb Se

crystal_class_orig: hexagonal-trapezoidal

Wyckoff_letters_orig: j l l m

Wyckoff_letters: j l l m


species: Li V

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr O

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: a a a

crystal_class: trigonal-trapezoidal


species: Cd Fe


species: Pb S


species: Ag Se

species_pp: Ag Se

Wyckoff_letters: c c


species: F Fe

crystal_class_orig: ditrigonal-pyramidal


species: F Mg


species: O Sc

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_letters: a i i i i

Wyckoff_letters: i i i

Wyckoff_site_symmetries: 2/m m m m m


species: O Ti

Wyckoff_letters_orig: f g j

Wyckoff_letters: f g j


species: O Sr

Wyckoff_letters_orig: f f f

Wyckoff_letters: f f f


species: Ce Ni


species: Ir Ru


species: O Yb

species_pp: O Yb

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mg N


species: F Mn


species: C Ni

Wyckoff_letters_orig: a c f h

Wyckoff_letters: a c f h


species: Mn Mo


species: Ca Fe


species: La O

species_pp: La O

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: g j

Wyckoff_letters: h p


species: F Zn

species_pp: F Zn

sg:
Pbcn #60
Pbcn #60
Pbcm #57

Wyckoff_letters_orig: d d

Wyckoff_letters: d d


species: S Si

species_pp: S Si

Wyckoff_letters: e e


species: In O

crystal_class_orig: tetragonal-scalenoidal

Wyckoff_letters_orig: a b c

crystal_class: tetragonal-scalenoidal

Wyckoff_letters: a b c


species: Nb Sc

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Au Cu

crystal_class_orig: dihexagonal-dipyramidal


species: Ru Sc


species: F Ti

Wyckoff_letters_orig: b f i

Wyckoff_letters: b c k


species: Pb Te

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j

Wyckoff_letters: g i

Wyckoff_letters: i i j

Wyckoff_site_symmetries: m m 1


species: Fe Te


species: Li O

crystal_class: hexagonal-trapezoidal


species: O Tc


species: Gd Sb

species_pp: Gd Sb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Pd Re


species: Cd Nb

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Al Ge


species: Mo P


species: Li Zn


species: Mn W

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo O

crystal_class_orig: trigonal-trapezoidal


species: O Sr

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: c i i i

Wyckoff_site_symmetries_orig: 2/m m m m

Wyckoff_letters: a i

Wyckoff_letters: c i i i

Wyckoff_site_symmetries: 2/m m m m


species: Mn O

sg:
Ibam #72
Ibam #72
Ibam #72

sg2:
Ibam #72
Ibam #72
Ibam #72

Wyckoff_letters_orig: j j j

Wyckoff_letters: j j j


species: F Mg


species: Li V


species: O Pt

species_pp: O Pt

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: Ag Bi


species: Ag Zn

species_pp: Ag Zn


species: Ni O


species: Li Mn

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: N O

species_pp: N O

crystal_class_orig: diploidal


species: Mg O

Wyckoff_letters_orig: a e


species: Ta Y

crystal_class_orig: orthorhombic-bipyramidal


crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cl Si

species_pp: Cl Si

Wyckoff_letters_orig: e h

Wyckoff_letters_orig: a b e

crystal_class: tetrahedral

Wyckoff_letters: e h

Wyckoff_letters: a b e


species: Pd Re


species: Cr W

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ga O


species: Co O

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: Nb Pd

crystal_class_orig: ditrigonal-scalahedral


species: Bi O


species: Ag Pd


species: B Pt

crystal_class: dihexagonal-dipyramidal


species: Br O

species_pp: Br O

crystal_class_orig: orthorhombic-pyramidal


species: Mo Ti


Wyckoff_letters_orig: g g g g

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

Wyckoff_letters: g g g g

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


species: Mo O

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ca F

Wyckoff_letters_orig: a c

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c


species: Cr F

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cl In

Wyckoff_letters_orig: e f g g g g g g

Wyckoff_letters_orig: a d

Wyckoff_letters: e f g g g g g g

Wyckoff_letters: a d


species: Ca Tc


species: Ni O


species: Mg Te


species: F Zn

Wyckoff_letters: c c c


species: Li Tc

crystal_class: hexoctahedral


species: Er O

Wyckoff_letters_orig: a b


species: Ca Cr


species: Gd H

species_pp: Gd H

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b c c

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b c c


species: O Sn

species_pp: O Sn

crystal_class: ditetragonal-dipyramidal


species: Nb O

aflow_prototype_params_list_relax: a b/a c/a beta y2


species: I Pt

species_pp: I Pt

Wyckoff_letters_orig: f f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f f

Wyckoff_letters: a e


species: Ag Bi


species: Y Zr


species: Ag Sc


species: K O

Wyckoff_letters_orig: c f

Wyckoff_letters_orig: c f f

Wyckoff_letters: c f

Wyckoff_letters: c f f


species: Cd Co

species_pp: Cd Co


species: F Mn

sg:
Pnma #62
Pnma #62
Pnma #62

Wyckoff_letters_orig: c c c c

Wyckoff_letters: c c c c


species: Cr O


species: O Ta

crystal_class_orig: rhombohedral

crystal_class: rhombohedral


crystal_class: ditrigonal-scalahedral


species: Pb Rb

Wyckoff_letters_orig: d g

Wyckoff_letters_orig: b g

Wyckoff_letters: d g

Wyckoff_letters: b g


species: Cr Mn

sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: b l


species: Co V

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Cr Zn


species: Cu Mo


species: Cu Zn

crystal_class_orig: tetragonal-dipyramidal


species: Mn Ti

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Mn Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Mo Ni

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo V

crystal_class_orig: tetrahedral


species: Ni Zn


species: V Zn

crystal_class_orig: ditrigonal-dipyramidal

Wyckoff_letters_orig: g f

crystal_class: ditrigonal-dipyramidal

Wyckoff_letters: g f


species: Co Fe

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co Mo


species: Co Zn

species_pp: Co Zn

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Cr Ti


species: Cr V


species: Cr W


species: Cu W


species: Fe Ni


Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: F Nb

crystal_class_orig: monoclinic-prismatic


species: Hg Yb

species_pp: Hg Yb


species: Hg In


species: Hg Rb


species: Hg S

species_pp: Hg S


species: Ca Rb


species: K Ta


species: Li Nb


species: Li Ta


Wyckoff_letters_orig: c c

Wyckoff_letters: c c


Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Hg Li


species: Ca F


species: Cl Mg

Wyckoff_letters_orig: a a b b

Wyckoff_letters_orig: b b

Wyckoff_letters: a a b b

Wyckoff_letters: b b


species: Cl Nb

Wyckoff_letters_orig: e e


species: Cl K


species: Cl Pb

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ho O

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: g j

Wyckoff_letters: g h

Wyckoff_letters: g j


species: Gd O

species_pp: Gd O

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Pm Ti


species: Pr V


species: Eu Ho


species: Fe Nd

Wyckoff_letters_orig: b d


species: Ce V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


sg2:
Pnnm #58
Immm #71
I4/mmm #139


species: Cr W


species: Mg Pb


species: Co Ti

crystal_class_orig: ditetragonal-pyramidal

Wyckoff_letters_orig: a b d

crystal_class: ditetragonal-pyramidal

Wyckoff_letters: a b d


species: Ti Zn

Wyckoff_letters_orig: a h


crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: a c k

Wyckoff_letters: a c k


species: Cr Tb


species: Ho Mn


species: Ce Co

species_pp: Ce Co

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Co Nd

species_pp: Co Nd


species: Dy V

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Mn Yb


species: Ni Pr


species: Sm Ti


species: V Yb


species: Be I

crystal_class: monoclinic-prismatic


species: I Pb


species: Ga I

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Rb


species: I Sb

species_pp: I Sb


species: Au La

species_pp: Au La


species: Cd Fe

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Co Pd


species: Nb Y


species: Ni Os


species: Hg Mn


species: Mo Zr

Wyckoff_letters_orig: a l

Wyckoff_letters: a l


species: Sc Zr


species: Rh V

crystal_class: diploidal


species: Ru W


species: Mg O


species: Ag O

species_pp: Ag O

Wyckoff_letters_orig: a b


species: Cr Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Sc Zn


species: Mo Ta

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Ca I

sg:
Pnma #62
Cmce #64
Cmce #64

sg2:
Pnma #62
Pnma #62
Cmce #64

Wyckoff_letters_orig: c c


Wyckoff_letters_orig: d d d

Wyckoff_letters: d d d


crystal_class_orig: trigonal-trapezoidal


species: Co I

species_pp: Co I


Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cr I


species: Fe I


species: I Mg

Wyckoff_letters: c c


sg2:
Pnma #62
Immm #71
Immm #71


species: I Ni


species: I Rb


Wyckoff_letters: a b


species: Ag I

species_pp: Ag I

sg2:
Pnma #62
Pnma #62
Pnma #62


species: I In

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: I Sn

species_pp: I Sn


Wyckoff_letters_orig: f f f f f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f f f f f

Wyckoff_letters: f f


species: Ba I


species: Cu I


Wyckoff_letters_orig: i i i

Wyckoff_letters_orig: i i i i i

Wyckoff_letters: i i i

Wyckoff_letters: i i i i i


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

Wyckoff_letters: e e

Wyckoff_letters: a e


species: Ga I

Wyckoff_letters_orig: f j

Wyckoff_letters: f j


species: I Sr


species: Ag Pt

species_pp: Ag Pt


species: Hg Os

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Cd Zr


species: Co Hf


species: Ag W

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: La Ru

Wyckoff_letters: a d


species: Cu Ta


species: Pd Ta

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Ru Zn

sg:
Immm #71
Immm #71
Immm #71


species: Hf W


species: Mo Nb

Wyckoff_letters_orig: a d


species: Hf Zr

Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo Zr


species: Nb W

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


species: Ti Zr

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


species: Sc V

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Au Mo


species: Os Ru

Wyckoff_letters_orig: c d


species: Nd V


species: Ag Fe


species: Cd Ni


species: Fe Si

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Se Zn

species_pp: Se Zn

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a b b

crystal_class: trigonal-pyramidal

Wyckoff_letters: a b b


species: Cd O

species_pp: Cd O


species: I V

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Sr


species: Au Rh


species: O Rh


species: Li Ti


species: O V

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Cu Li


species: Fe K

crystal_class_orig: hexoctahedral


species: I Mn

Wyckoff_letters_orig: a i i

Wyckoff_letters_orig: c i i

Wyckoff_letters: a i i

Wyckoff_letters: c i i


species: F V


species: Ca K


species: O W

crystal_class_orig: tetragonal-trapezoidal


species: O Zn

species_pp: O Zn

crystal_class_orig: tetragonal-pyramidal

Wyckoff_letters_orig: b b b b

Wyckoff_letters_orig: b b

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: j j


species: F Te

species_pp: F Te

crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: c c d d

Wyckoff_letters: c c d d


species: Cu K


species: O Sn

species_pp: O Sn

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Cu Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cr F

crystal_class_orig: ditetragonal-dipyramidal


species: Ca Fe

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Pr Sb

species_pp: Pr Sb

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Nb W

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ce Zn

species_pp: Ce Zn

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Mo Pd

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Co O

species_pp: Co O

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a c c

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a c c


species: Cu O

crystal_class_orig: hexagonal-trapezoidal

crystal_class: hexagonal-trapezoidal


species: H Y

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Tb


species: K O


species: Cd O


species: Ni O

crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Cu F


Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Pb


species: Co F

species_pp: Co F

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: O Sr


species: Ge Os

Wyckoff_letters_orig: i i

Wyckoff_letters: i i


species: Rh Ru

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: Cr O

Wyckoff_letters_orig: b b

Wyckoff_letters_orig: b b b b


species: Ti W

sg:
Pnma #62
Cmmm #65
Cmmm #65

sg2:
Pnma #62
Cmmm #65
Cmmm #65


species: F Ni

Wyckoff_letters_orig: b f i

Wyckoff_letters: a d j


species: Bi O

Wyckoff_letters_orig: e f f

Wyckoff_letters: e f f


Wyckoff_letters_orig: i i i

Wyckoff_letters: d a


Wyckoff_letters_orig: b b b


species: C Dy


Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Mo Pt


species: Ni Te


species: Ca Cr


species: K O


species: Pd Y


species: I V


species: N Zr

Wyckoff_letters_orig: a i i

Wyckoff_letters: a i i


species: Mg O

crystal_class_orig: monoclinic-domatic

Wyckoff_letters_orig: a a a a a

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: c a b

Wyckoff_letters: a c b


species: Co K

crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ni O

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Ta Tc


species: Hf V

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Ir Os

Wyckoff_letters_orig: a i

Wyckoff_letters: a i


species: Cr O

sg:
Pc #7
Pc #7
Pc #7

sg2:
Pc #7
Pc #7
Pc #7

Wyckoff_letters_orig: a a a a

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a


species: Ca Mn

crystal_class_orig: tetragonal-dipyramidal


species: I Tc

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Fe Tc

Wyckoff_letters_orig: e e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: e e


species: Mn O


Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Ti V

Wyckoff_letters_orig: c f

crystal_class: hexoctahedral

Wyckoff_letters: c f


species: I Mn

sg:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: a c f

Wyckoff_letters: a c f


species: Cr K

crystal_class_orig: tetrahedral

crystal_class: tetrahedral


species: Ca Cr

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O W

crystal_class: ditrigonal-scalahedral


species: Co P

species_pp: Co P

crystal_class_orig: diploidal


species: Cu Mg

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Cu Os


species: O Zr

Wyckoff_letters_orig: e g

Wyckoff_letters: e g


species: Cr Mg

crystal_class: orthorhombic-bipyramidal


species: Cr Li


crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: f f

Wyckoff_letters_orig: a e

Wyckoff_letters: f f

Wyckoff_letters: c e


species: Fe Sc


species: Dy Tl

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Li Mg


species: Ag V

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Pt Sc

crystal_class_orig: hexoctahedral


species: Ca Si


sg:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters: a e


species: Mg Pt

Wyckoff_letters_orig: e f

crystal_class: monoclinic-prismatic

Wyckoff_letters: e f


species: Ca Zn


species: Ir Nb


species: Cr F


species: Bi Ge

Wyckoff_letters_orig: b c d e e i i i i

Wyckoff_letters: b c d e e i i i i


species: Ca I


species: Fe Hg


species: Ca V


species: Cd Nb


species: Mn Ru


species: Cu Mg


species: F Mg

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Nb Ru


species: I Tc

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

sg2:
Pmmm #47
Pmmm #47
Pmmm #47


species: Co O


species: Fe Nb


species: Cr O


sg:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: O Rh


species: O V

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


species: I Nb

crystal_class_orig: tetragonal-scalenoidal

crystal_class: tetragonal-scalenoidal


species: Nb O

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: O Si

species_pp: O Si

Wyckoff_letters_orig: j k

Wyckoff_letters: j k


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: F Ni


species: Mn O

Wyckoff_letters_orig: i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: i i

Wyckoff_letters: i i i


species: Ag Ir

species_pp: Ag Ir

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ta


species: Hf Y


species: La O

species_pp: La O

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: O Sr

Wyckoff_letters_orig: a b b

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a b b


species: Cu F

crystal_class: diploidal


species: Rh V


species: Sc Zn


species: Au O

species_pp: Au O

Wyckoff_letters_orig: a c


species: Sn Te

species_pp: Sn Te

sg2:
Pbca #61
Pbca #61
Pbca #61


species: Cd O

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Co Mg

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Pd Ta

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Ti


species: O Sb

species_pp: O Sb

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: O Re


species: Co Pt

species_pp: Co Pt


species: K Li

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: O Pb


species: Cu K

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ir Re


species: Li Ti


species: Mg Nb

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


crystal_class_orig: orthorhombic-bipyramidal

Wyckoff_letters_orig: a e h

Wyckoff_letters_orig: b j

Wyckoff_letters: a e h

Wyckoff_letters: b j


species: Mg Pb

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: O Rb


species: Co Ti

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cr W


species: Cu Fe


species: Co Cr


species: Co Mn

Wyckoff_letters_orig: b d

Wyckoff_letters: b d


species: Co W

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


Wyckoff_letters: c e d


species: Cu Ti

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Fe Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Fe W


species: Mo Zn


species: Ni Zn


species: Cr Fe

sg2:
Cmcm #63
Cmcm #63
Cmcm #63

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Cu Zn


species: Fe Zn


species: Mo V

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h

Wyckoff_letters: a c


species: Ni V


species: Ti V

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Ti W


species: Cl Nb

sg:
Pnnm #58
Immm #71
Immm #71

sg2:
Pnnm #58
Immm #71
Immm #71


species: Ba Hg

Wyckoff_letters_orig: c c c c c c

Wyckoff_letters: c c c c c c


species: Hg In


species: Hg Rb


species: F Nb

crystal_class_orig: orthorhombic-sphenoidal

Wyckoff_letters_orig: a a


species: Ca Rb


species: Li Nb


species: Nb Pb


species: Rb Ta

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Pb Ta


species: O Sm

crystal_class_orig: rhombohedral

Wyckoff_letters_orig: a b c

crystal_class: rhombohedral

Wyckoff_letters: a b c


species: Ce Mn


species: Ho Tb


species: O Pb

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Ca Cl

crystal_class_orig: triclinic-pedial

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a a a

crystal_class: triclinic-pedial

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a a a


species: F Ta

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Co Sm

crystal_class_orig: ditrigonal-scalahedral

Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Dy Ho

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Ho Ti


species: Nd Ti


species: Pr Zn

species_pp: Pr Zn


species: I In

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: I Zn

species_pp: I Zn

sg2:
Fddd #70
Fddd #70
Fddd #70

Wyckoff_letters_orig: e e h h h

Wyckoff_letters_orig: h h

Wyckoff_letters: e e h h h

Wyckoff_letters: h h


species: Co Pd


species: Cu Zr


species: F Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Mo Os


species: Mo Ta

Wyckoff_letters_orig: a c


species: Os Sc

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: V Zr


species: Cu Pt


species: Rh Ti

Wyckoff_letters_orig: b h

Wyckoff_letters: b h


species: Ag Y


species: Ir Zn

species_pp: Ir Zn


species: Au Hf

sg2:
Pmmn #59
Pmmn #59
Pmmn #59

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Cu Sc


species: Li Te


species: Re Ta


species: Tc W

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Ir Pt

species_pp: Ir Pt


species: Rh Ta


species: La Sc


species: Al O

species_pp: Al O

Wyckoff_letters_orig: e f

Wyckoff_letters: e f


species: Ag Os


species: Cd La

species_pp: Cd La


species: Au Mn

crystal_class: tetragonal-dipyramidal


species: Mn Tc

crystal_class: dihexagonal-dipyramidal


species: Co I

species_pp: Co I

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: a b

crystal_class: dihexagonal-pyramidal

Wyckoff_letters: a b


species: Cr I


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

Wyckoff_letters: a a


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

Wyckoff_letters_orig: a b l

Wyckoff_letters: a b l


crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: c d


species: Fe I


species: I Li

Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: I Mg

Wyckoff_letters_orig: a d


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: I Ni

Wyckoff_letters: a c


species: Be I

crystal_class_orig: ditrigonal-pyramidal

Wyckoff_letters_orig: a a a b

Wyckoff_letters_orig: a b b b c c c c

crystal_class: ditrigonal-pyramidal

Wyckoff_letters: a a a b

Wyckoff_letters: a b b b c c c c


species: I Zr

Wyckoff_letters_orig: f f f f

Wyckoff_letters: f f f f


species: Ba I

Wyckoff_letters_orig: e e e

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters: e e e

Wyckoff_letters: e e e e e e


Wyckoff_letters: b a


species: I Pb


species: Cd Sc

Wyckoff_letters_orig: g f

Wyckoff_letters: g f

Wyckoff_letters: a d


species: Cu Zr


species: Cu I

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: I Sr

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

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: As Cr


species: Ir Tc

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: Cr Re


species: Ir Zr

Wyckoff_letters_orig: b d

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: b d


species: La Y


species: La Zr

Wyckoff_letters_orig: g h

Wyckoff_letters_orig: a c

Wyckoff_letters: g h


species: V Zr


species: La Sc

crystal_class: hexoctahedral


species: Mo Zr


species: Os Y

crystal_class_orig: tetrahedral

Wyckoff_letters_orig: c e

crystal_class: tetrahedral

Wyckoff_letters: c e


species: Ni Ru


species: Os Tc

crystal_class: ditrigonal-scalahedral


species: Ag Mo

Wyckoff_letters_orig: f g h

Wyckoff_letters_orig: e f

Wyckoff_letters: f g h

Wyckoff_letters: e f


species: Pd W

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Ag Fe

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Ag S


species: F Sm

Wyckoff_letters_orig: a d


species: Hf W


species: Hf Zr


species: Nb W


species: W Zr


species: Cd Ni

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Fe Sc


species: Mo Nb

Wyckoff_letters_orig: c d e

Wyckoff_letters: c e d


Wyckoff_letters: a c


Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Ta Zr

crystal_class: orthorhombic-bipyramidal


species: Cd Sc


species: I Mg

crystal_class_orig: triclinic-pinacoidal

Wyckoff_letters_orig: i i

crystal_class: triclinic-pinacoidal

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


species: Mo Re

sg2:
Immm #71
Immm #71
Immm #71


species: Fe Ru

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: Mo Si

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: e e e e

Wyckoff_letters_orig: e e e e e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e e e

Wyckoff_letters: e e e e e


species: Au Sc


species: Au Rh

Wyckoff_letters: c d e


species: Co O

species_pp: Co O

Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Os Rh

aflow_prototype_params_list_relax: a c/a z2


species: O Ru

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Cd Zn

species_pp: Cd Zn


species: Mn O

Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: Cu Li

crystal_class_orig: dihexagonal-dipyramidal

Wyckoff_letters: a d


Wyckoff_letters_orig: c c d e

Wyckoff_letters: c c d e


species: Ca Co

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: F Fe

Wyckoff_letters_orig: f f f f

Wyckoff_letters_orig: f f

Wyckoff_letters: f f f f

Wyckoff_letters: f f


species: Ba Zn

Wyckoff_letters_orig: c e g

Wyckoff_letters: c e g


species: Ca K


species: V Y


species: Pb Se

crystal_class_orig: tetragonal-trapezoidal

Wyckoff_letters_orig: a b

Wyckoff_letters_orig: b b b

crystal_class: tetragonal-trapezoidal

Wyckoff_letters: a b

Wyckoff_letters: b b b


species: Fe Li


species: I Ti

crystal_class_orig: gyroidal

Wyckoff_letters_orig: a c e

Wyckoff_letters_orig: b c d

crystal_class: gyroidal

Wyckoff_letters: a c e

Wyckoff_letters: b c d


species: Cr 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

crystal_class: monoclinic-domatic

Wyckoff_letters: a a a a a a b b


species: O Ti

Wyckoff_letters_orig: c c

Wyckoff_letters_orig: b c

Wyckoff_letters: c c

Wyckoff_letters: b c


species: O Sn

species_pp: O Sn

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: a a a a a

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: a a a a a


species: O Rh


species: Li Mg

crystal_class_orig: hexoctahedral


species: Co Li


species: Co O


species: Ni O


species: Se Th

crystal_class_orig: orthorhombic-bipyramidal


species: Nd Te

species_pp: Nd Te

Wyckoff_letters_orig: c c c

Wyckoff_letters: c c c


species: O Zn

species_pp: O Zn


species: Co V

crystal_class_orig: ditetragonal-dipyramidal


species: Mn O


crystal_class_orig: orthorhombic-sphenoidal

crystal_class: hexagonal-trapezoidal

aflow_prototype_params_list_relax: a c/a x2


species: Al C

species_pp: Al C

crystal_class_orig: ditrigonal-scalahedral


species: Fe Os


species: O W

crystal_class_orig: dihexagonal-pyramidal

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hf O


species: Cu Mg


Wyckoff_letters_orig: a i i i i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i i i i

Wyckoff_letters: i i i


species: Re Tc


species: Ca Li


species: Au Zn

species_pp: Au Zn


species: Pd Sn


species: O V

Wyckoff_letters_orig: a a a

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-sphenoidal

Wyckoff_letters: a a a

Wyckoff_letters: a a


species: I V

Wyckoff_letters_orig: a e f f f

Wyckoff_letters: c e f f f


species: Bi O

crystal_class_orig: orthorhombic-pyramidal


species: Ca V


species: F Mg


species: Co Mg


species: Ge S


species: I Ti

sg:
Pbca #61
Pbca #61
Pbca #61


species: Er O

Wyckoff_letters_orig: b e

Wyckoff_letters: b e


species: Li Mn


species: Al F

species_pp: Al F

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: O Rh


species: O Zr

crystal_class_orig: trigonal-trapezoidal

crystal_class: trigonal-trapezoidal


species: Br Se

species_pp: Br Se

crystal_class: orthorhombic-pyramidal


species: Tc Zn

Wyckoff_letters_orig: a h

Wyckoff_letters: a h


species: Cr O

Wyckoff_letters_orig: a e

Wyckoff_letters_orig: e e

Wyckoff_letters: a e

Wyckoff_letters: e e


species: Hf O


species: O Sn

Wyckoff_letters_orig: a a b c

Wyckoff_letters: a a b c


crystal_class: dihexagonal-dipyramidal


Wyckoff_letters_orig: d e

crystal_class: ditetragonal-dipyramidal

Wyckoff_letters: d e


species: Sn Te

species_pp: Sn Te

crystal_class_orig: tetrahedral


species: Ca N

Wyckoff_letters_orig: a f i i

Wyckoff_letters_orig: f g i

Wyckoff_letters: a f i i

Wyckoff_letters: f g i


species: S Si

species_pp: S Si

Wyckoff_letters_orig: e e e e e e

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e e e e

Wyckoff_letters: e e e


species: V Zn

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Os

Wyckoff_letters_orig: a a a a a a

crystal_class: hexoctahedral


species: Fe I

crystal_class_orig: triclinic-pinacoidal

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


species: O W

Wyckoff_letters_orig: c c d

Wyckoff_letters_orig: c c

Wyckoff_letters: c c d

Wyckoff_letters: c c


species: Pb Se

crystal_class_orig: monoclinic-prismatic

Wyckoff_letters_orig: a i

Wyckoff_letters_orig: i i i

Wyckoff_letters: a i

Wyckoff_letters: i i i


species: K Se

crystal_class_orig: dihexagonal-dipyramidal


species: Ca O


species: Au Yb

species_pp: Au Yb


species: Ca Ti


species: Ca Li

Wyckoff_letters_orig: i i


species: Ge S


species: O V

sg:
Pnna #52
Pnna #52
Pnna #52

sg2:
Pnna #52
Pnna #52
Pnna #52

Wyckoff_letters_orig: c c c d e

Wyckoff_letters: c c c d e


species: Cr K


species: Br Ta


species: Co Nb


species: I V

Wyckoff_letters_orig: b d h

Wyckoff_letters: b d h


species: Ga Ti

Wyckoff_letters_orig: b c

Wyckoff_letters: b c


species: Ca Mn


species: Fe Ti


species: Mn O

Wyckoff_letters_orig: g h k

Wyckoff_letters: g h k


species: Mn Ni

crystal_class: tetrahedral


species: O Pd


Wyckoff_letters_orig: e d

Wyckoff_letters_orig: a b d f

Wyckoff_letters: e d

Wyckoff_letters: a b d f


species: Ca Co


species: Te Zn

species_pp: Te Zn


species: Nb O

crystal_class: ditrigonal-scalahedral


species: H Ta

Wyckoff_letters_orig: e f f f f

Wyckoff_letters_orig: a f

crystal_class: orthorhombic-bipyramidal

Wyckoff_letters: c f


species: O Sr

sg:
Pccn #56
Pccn #56
Pccn #56

sg2:
Pccn #56
Pccn #56
Pccn #56

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Ca Cr


species: Ag La

species_pp: Ag La


species: Cu O

Wyckoff_letters_orig: a a


species: Cu Mg


species: Dy Pd

Wyckoff_letters_orig: c f g

Wyckoff_letters: c f g


species: O V

Wyckoff_letters_orig: g h

Wyckoff_letters: g h


species: Ag Cr


species: N Y


species: Ca Mn


species: Co Rh


species: O Y


species: Ni O

Wyckoff_letters_orig: g i

Wyckoff_letters_orig: i i j


species: Fe O


species: Ag Ru

Wyckoff_letters_orig: a c


Wyckoff_letters_orig: a a a a

Wyckoff_letters_orig: a a a a a a

Wyckoff_letters: a a a a

Wyckoff_letters: a a a a a a


species: H Zn

species_pp: H Zn


species: Cu K


species: K O

Wyckoff_letters_orig: c c


species: Mn Y

Wyckoff_letters: a c


Wyckoff_letters_orig: a c c

Wyckoff_letters: a c c


species: Nd Sn

species_pp: Nd Sn


species: Cr Ni


species: O Ru

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: Ca Ni


species: O Tc

crystal_class_orig: tetragonal-dipyramidal

Wyckoff_letters_orig: h h

crystal_class: tetragonal-dipyramidal

Wyckoff_letters: h h


species: In Mg

sg:
Pmma #51
Pmma #51
Pmma #51

sg2:
Pmma #51
Pmma #51
Pmma #51


species: Nb O

Wyckoff_letters: c e d


species: F Zn

species_pp: F Zn

Wyckoff_letters: c c


species: O Zn

Wyckoff_letters_orig: e e

Wyckoff_letters_orig: a e

crystal_class: monoclinic-prismatic

Wyckoff_letters: e e

Wyckoff_letters: a e


species: B Tb

Wyckoff_letters_orig: e h j

Wyckoff_letters: e h j


species: F Fe

sg:
Pnma #62
Pnma #62
Pnma #62


Wyckoff_letters_orig: h i

Wyckoff_letters: h i


species: Mo O


species: I Mn


species: O W

Wyckoff_letters: d d


species: Co O

species_pp: Co O

Wyckoff_letters_orig: a b b

crystal_class: diploidal

Wyckoff_letters: a d


species: O Rb


species: H Tb

Wyckoff_letters_orig: a d g

Wyckoff_letters: a d g


species: Mo W


species: Co V


species: Co Zn

species_pp: Co Zn


species: Cr Mo


species: Cu Zn


species: Fe V


species: Mo Ti


species: Co Cr

Wyckoff_letters_orig: a d


species: Co Mn

crystal_class_orig: ditrigonal-dipyramidal

crystal_class: ditrigonal-dipyramidal


species: Cr Cu


species: Cr Ti

Wyckoff_letters_orig: d e

Wyckoff_letters: d e


species: Cu Mn


species: Cu Mo


species: Fe Zn

sg2:
Cmmm #65
Cmmm #65
Cmmm #65

Wyckoff_letters_orig: a h

Wyckoff_letters_orig: b e j

Wyckoff_letters: a h

Wyckoff_letters: b e j


Wyckoff_letters_orig: c d e


species: Mn Ni


species: Mn Ti


species: Mn V


species: Ti W

Wyckoff_letters_orig: a c


species: Hg Mg


sg:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Hg S

species_pp: Hg S

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Hg Te

species_pp: Hg Te


species: Hg Yb

species_pp: Hg Yb

Wyckoff_letters_orig: c c


species: Ca Cl


species: Cl Ta

Wyckoff_letters_orig: e e e

Wyckoff_letters: e e e


species: Ca Rb

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: K Rb


Wyckoff_letters_orig: c f

Wyckoff_letters: c f


species: Nb O

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

Wyckoff_letters_orig: a a a a a a a a a a a a a a a a a a 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_site_symmetries_orig: m m m m m m m m m m m m m m m m m 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: Dy V

Wyckoff_letters_orig: b d

Wyckoff_letters: b c


species: Dy Zn


species: Er Gd


species: Ti Zn


species: Nd Zn

species_pp: Nd Zn

Wyckoff_letters: a c


species: Ce Sm


species: Co Dy

Wyckoff_letters_orig: g h

Wyckoff_letters: g h

aflow_prototype_params_list_relax: a c/a x4


species: Co Sm


species: Cu Pr


species: Fe Yb


species: Gd Pm

species_pp: Gd Pm


species: Ho Mn


species: Ho Pm


species: Pm Tb


species: Tb Yb


species: Co I

species_pp: Co I


species: I Rb


species: I Sb

species_pp: I Sb

Wyckoff_letters_orig: i i i

crystal_class: triclinic-pinacoidal

Wyckoff_letters: i i i


species: Cr I

Wyckoff_letters_orig: a a

Wyckoff_letters_orig: c c c

Wyckoff_letters: a a

Wyckoff_letters: c c c


species: Ag La

Wyckoff_letters_orig: a h


species: Hg Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_relax: a c/a


species: W Zr

Wyckoff_letters_orig: d g

Wyckoff_letters: d g


species: Fe Pd

Wyckoff_letters: b d


species: Pd Sc


species: Ir W


species: Cd Zn

species_pp: Cd Zn

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: La W

Wyckoff_letters_orig: a c


species: Au Os


Wyckoff_letters: a h


species: O Pb


species: Pt Tc


species: Ag Pt

species_pp: Ag Pt

crystal_class_orig: diploidal


species: Ba Si


species: Mn Pr


species: Ni Y


species: Pd Y

Wyckoff_letters_orig: c d d

Wyckoff_letters: c d d


species: Pt Ti


species: Ag Zr

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cd Ta

sg:
Pnnm #58
Pnnm #58
Immm #71

sg2:
Pnnm #58
Pnnm #58
Immm #71


species: Mo Rh


species: Ca I


species: Co I

Wyckoff_letters_orig: a h i

Wyckoff_letters_orig: i i j

Wyckoff_letters: a h i

Wyckoff_letters: i i j


species: Cr I

sg2:
Pnma #62
Pnma #62
Pmmn #59


species: Fe I


species: I K

Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: I Li


crystal_class: dihexagonal-pyramidal


species: I Ni


species: I Zr

Wyckoff_letters_orig: a b c d e

Wyckoff_letters: c a


species: Ag I

species_pp: Ag I


species: I In

Wyckoff_letters_orig: i j

Wyckoff_letters: i j


species: Ba I


species: Hg I

species_pp: Hg I

Wyckoff_letters_orig: e e e e

Wyckoff_letters: e e e e


species: Cd Mo


species: Mo Zr

sg2:
Pnma #62
Pnma #62
Pnma #62


species: Cu I

sg:
Pbcn #60
Pbcn #60
Ibam #72

sg2:
Pbcn #60
Pbcn #60
Ibam #72


species: I Zn

species_pp: I Zn

Wyckoff_letters_orig: a e e

Wyckoff_letters: a e e


species: Cd V

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


species: Mn Re

Wyckoff_letters_orig: b f

Wyckoff_letters: b f


species: Ti Zr

sg2:
Pmmm #47
Pmmm #47
Pmmm #47

Wyckoff_letters_orig: b l

Wyckoff_letters: b l


species: Ir Ru


species: Nb Tc

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Fe Pr

Wyckoff_letters_orig: g h

Wyckoff_letters: a c

Wyckoff_letters: g h


species: Mo Pt


species: Fe Os

Wyckoff_letters_orig: a d

Wyckoff_letters: a d

aflow_prototype_params_list_relax: a c/a x3


species: Hf Re


species: O Rh

Wyckoff_letters_orig: a a a a a

Wyckoff_letters_orig: a a

Wyckoff_letters: a a a a a

Wyckoff_letters: a a


species: Ru Zr

Wyckoff_letters_orig: c g

Wyckoff_letters: c g


species: O Ti


species: Mo Ta


species: Hf Ti


species: Mo Zr


species: V Zr

Wyckoff_letters_orig: c c c

Wyckoff_letters_orig: a h

Wyckoff_letters: c c c

Wyckoff_letters: a h


species: Nb Ta

Wyckoff_letters_orig: c e

Wyckoff_letters: c e


species: Cd Zr


species: La Ru


species: Mg P


species: Mo Ru

Wyckoff_letters_orig: a b

Wyckoff_letters: a b


species: Ru Ta

Wyckoff_letters_orig: b g

Wyckoff_letters_orig: d g

Wyckoff_letters: b g

Wyckoff_letters: d g


species: Cu Re


species: Fe Tc


species: La Y


species: Er Zn

Wyckoff_letters_orig: c d e

Wyckoff_letters: c d e


species: Ir Nb


species: Os Zr


species: Au Cr


species: Pr V


species: Dy Fe

Wyckoff_letters_orig: g f

Wyckoff_letters: g f


species: Er Tb

Wyckoff_letters_orig: a c


species: O Zn

species_pp: O Zn

Wyckoff_letters_orig: a b c

Wyckoff_letters: a b c


species: La N

species_pp: La N


species: Ca Mg


species: I O

species_pp: I O

Wyckoff_letters_orig: c b

Wyckoff_letters_orig: a g f j

Wyckoff_site_symmetries_orig: mmm mmm

Wyckoff_site_symmetries_orig: mmm mmm mmm 2mm

Wyckoff_letters: c b e m

aflow_prototype_params_list_orig: a b/a c/a x6

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


species: F V


species: Fe Zn

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Ca Zn


species: Mn Ru

Wyckoff_letters_orig: a d


species: Co Os


species: Sm Zn


species: Pb Te

crystal_class_orig: tetragonal-disphenoidal

Wyckoff_letters_orig: a d g

Wyckoff_letters_orig: h h

crystal_class: tetragonal-scalenoidal


species: I Ti


species: Cu Mg


species: Fe K

aflow_prototype_params_list_orig: a c/a z2


species: Cu F

Wyckoff_letters_orig: a a


species: Nb Zr


species: La Mn


species: Re Ti


species: Li Mg

Wyckoff_letters_orig: a h


Wyckoff_letters_orig: e e

Wyckoff_letters: e e


species: Hg Sc


species: In Te

Wyckoff_letters_orig: a b


species: Ce Cu

Wyckoff_letters: a d


species: Fe Mg


species: K Mg

aflow_prototype_params_list_orig: a c/a x2


species: Bi O

Wyckoff_letters_orig: f f

Wyckoff_letters: f f


species: O W

Wyckoff_letters_orig: e e e e e

Wyckoff_letters: e e e e e


species: Cr F

Wyckoff_letters_orig: c c c

Wyckoff_letters: a c


species: O V

Wyckoff_letters_orig: b b b

Wyckoff_letters: b b b


species: Au In

crystal_class_orig: hexagonal-dipyramidal

Wyckoff_letters_orig: c h h h

crystal_class: hexagonal-dipyramidal

Wyckoff_letters: c h h h


species: Mn O

Wyckoff_letters_orig: f f f f


species: Ir Nb

Wyckoff_letters_orig: c c

Wyckoff_letters: c c


species: Os Sc

Wyckoff_letters_orig: c d

Wyckoff_letters: c d


species: Cu Y


species: Ca O


species: Fe O

crystal_class_orig: trigonal-pyramidal

Wyckoff_letters_orig: a a a

Wyckoff_letters: c a


species: Pb S

crystal_class_orig: gyroidal

Wyckoff_letters_orig: h i

crystal_class: gyroidal

Wyckoff_letters: h i


species: Fe Mo


species: O Zr

crystal_class_orig: hexoctahedral

Wyckoff_letters_orig: a c d f

Wyckoff_letters: a c d f


species: Cr Zr

Wyckoff_letters: a b


species: Bi Ti


species: O Te

species_pp: O Te

Wyckoff_letters_orig: e e e e

Wyckoff_site_symmetries_orig: m m m m

Wyckoff_site_symmetries_orig: m m

Wyckoff_letters: e e e e


species: F Sr

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: Ca Mg

Wyckoff_letters_orig: e f

Wyckoff_letters_orig: f g h

Wyckoff_letters: e f

Wyckoff_letters: f g h


species: Fe Ni


species: O Zn

sg:
Immm #71
Immm #71
Immm #71

crystal_class_orig: orthorhombic-bipyramidal


species: Rh Sr


species: O Sr


Wyckoff_letters_orig: a i

Wyckoff_letters: a f


species: Ge Te

crystal_class: trigonal-trapezoidal


species: O Sm


species: I Mn

crystal_class_orig: ditetragonal-dipyramidal

Wyckoff_letters_orig: a e

Wyckoff_letters: a e


species: Nb O


species: Cr F


species: I Tc

crystal_class_orig: monoclinic-sphenoidal

Wyckoff_letters_orig: b a e e e

Wyckoff_letters_orig: e e

crystal_class: monoclinic-sphenoidal

Wyckoff_letters: b a e e e

Wyckoff_letters: e e


species: Ca Ti

crystal_class_orig: ditrigonal-scalahedral


crystal_class_orig: orthorhombic-pyramidal

Wyckoff_letters_orig: a a

crystal_class: orthorhombic-pyramidal

Wyckoff_letters: a a


species: Dy S

crystal_class_orig: tetrahedral


species: Co F

species_pp: Co F


Wyckoff_letters_orig: a d

Wyckoff_letters: a d


species: Li Zn

Wyckoff_letters: c c


species: Sc Ti

Wyckoff_letters_orig: a c

Wyckoff_letters: a c


species: O Sn

species_pp: O Sn

sg:
Pcca #54
Pcca #54
Pcca #54

sg2:
Pcca #54
Pcca #54
Pcca #54

Wyckoff_letters_orig: a b c d

Wyckoff_letters: a b c d