data_[Cs4Sn4Bi8]
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 [8.6157]
_cell_length_b [5.6170]
_cell_length_c [14.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsSnBi2]
_chemical_formula_sum '[Cs4 Sn4 Bi8]'
_cell_volume [678.0470]
_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  0.1558  0.2500  0.6257  1.0
  Sn  Sn1  4  0.0187  0.2500  0.1293  1.0
  Bi  Bi2  4  0.1630  0.2500  0.9122  1.0
  Bi  Bi3  4  0.1683  0.2500  0.3356  1.0
]