data_[Cs4Sn12Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7550]
_cell_length_b [5.6151]
_cell_length_c [10.2279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSn3Pb2]
_chemical_formula_sum '[Cs4 Sn12 Pb8]'
_cell_volume [888.9813]
_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  0.1568  0.0000  0.0712  1.0
  Sn  Sn1  4  0.0337  0.0000  0.3550  1.0
  Sn  Sn2  4  0.0793  0.5000  0.6483  1.0
  Sn  Sn3  4  0.2084  0.5000  0.4765  1.0
  Pb  Pb4  4  0.0309  0.5000  0.1883  1.0
  Pb  Pb5  4  0.1709  0.0000  0.6853  1.0
]