data_[Cs12Bi20Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.6921]
_cell_length_b [17.3593]
_cell_length_c [8.0200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3Bi5Sb2]
_chemical_formula_sum '[Cs12 Bi20 Sb8]'
_cell_volume [1767.0077]
_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
[
  Cs  Cs0  8  0.2368  0.3701  0.0000  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2500  1.0
  Bi  Bi2  8  0.0000  0.2379  0.2500  1.0
  Bi  Bi3  8  0.1049  0.3675  0.5000  1.0
  Bi  Bi4  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb5  8  0.1481  0.1531  0.0000  1.0
]