data_[Sc8Bi4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [8.4557]
_cell_length_b [7.2767]
_cell_length_c [7.0019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Sc2BiSb]
_chemical_formula_sum '[Sc8 Bi4 Sb4]'
_cell_volume [430.8275]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Sc  Sc0  4  0.1325  0.7500  0.0000  1.0
  Sc  Sc1  4  0.3824  0.2500  0.0000  1.0
  Bi  Bi2  4  0.1249  0.0870  0.2500  1.0
  Sb  Sb3  4  0.3751  0.5802  0.2500  1.0
]