data_[Cs12Sn8Pb16]
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/c]
_cell_length_a [17.0395]
_cell_length_b [12.2600]
_cell_length_c [8.0004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(SnPb2)2]
_chemical_formula_sum '[Cs12 Sn8 Pb16]'
_cell_volume [1610.7149]
_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  0.1069  0.1113  0.6388  1.0
  Cs  Cs1  4  0.0000  0.4829  0.2500  1.0
  Sn  Sn2  8  0.2126  0.3731  0.9442  1.0
  Pb  Pb3  8  0.1374  0.2178  0.1730  1.0
  Pb  Pb4  8  0.2053  0.3796  0.5507  1.0
]