data_[Cs4Sn12Bi8]
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 [C2/m]
_cell_length_a [19.9950]
_cell_length_b [5.4778]
_cell_length_c [10.0251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSn3Bi2]
_chemical_formula_sum '[Cs4 Sn12 Bi8]'
_cell_volume [950.1081]
_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  0.1456  0.0000  0.0508  1.0
  Sn  Sn1  4  0.0321  0.0000  0.3770  1.0
  Sn  Sn2  4  0.0723  0.5000  0.6567  1.0
  Sn  Sn3  4  0.1974  0.5000  0.4923  1.0
  Bi  Bi4  4  0.0400  0.5000  0.2018  1.0
  Bi  Bi5  4  0.1887  0.0000  0.6583  1.0
]