data_[Cd24Bi8Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6639]
_cell_length_b [7.4202]
_cell_length_c [12.8876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd3BiSb]
_chemical_formula_sum '[Cd24 Bi8 Sb8]'
_cell_volume [1179.4718]
_cell_formula_units_Z [8]
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
[
  Cd  Cd0  8  0.0617  0.1247  0.0800  1.0
  Cd  Cd1  8  0.1847  0.0363  0.7994  1.0
  Cd  Cd2  8  0.1927  0.3864  0.4169  1.0
  Bi  Bi3  8  0.1021  0.3022  0.6235  1.0
  Sb  Sb4  4  0.0000  0.3195  0.2500  1.0
  Sb  Sb5  4  0.2500  0.2500  0.0000  1.0
]