data_[Cs8Sn20Pb12]
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 [Ibam]
_cell_length_a [13.6598]
_cell_length_b [15.0425]
_cell_length_c [7.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Sn5Pb3]
_chemical_formula_sum '[Cs8 Sn20 Pb12]'
_cell_volume [1520.6580]
_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  0.2498  0.1235  0.0000  1.0
  Sn  Sn1  8  0.0000  0.2485  0.2500  1.0
  Sn  Sn2  8  0.1239  0.1301  0.5000  1.0
  Sn  Sn3  4  0.0000  0.5000  0.2500  1.0
  Pb  Pb4  8  0.1299  0.3743  0.0000  1.0
  Pb  Pb5  4  0.0000  0.0000  0.2500  1.0
]