data_[Cs12Sn4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.0481]
_cell_length_b [5.5278]
_cell_length_c [15.7089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs3SnBi2]
_chemical_formula_sum '[Cs12 Sn4 Bi8]'
_cell_volume [1306.7156]
_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  4  0.0728  0.2500  0.6113  1
  Cs  Cs1  4  0.1233  0.7500  0.0638  1
  Cs  Cs2  4  0.1698  0.2500  0.3020  1
  Sn  Sn3  4  0.1443  0.2500  0.8660  1
  Bi  Bi4  4  0.0713  0.7500  0.8171  1
  Bi  Bi5  4  0.2028  0.7500  0.4758  1
]