data_[Cs40Pb24Cl96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [19.9815]
_cell_length_b [19.9815]
_cell_length_c [19.9815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Cs5(PbCl4)3]
_chemical_formula_sum '[Cs40 Pb24 Cl96]'
_cell_volume [7977.8031]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Cs  Cs1  16  0.0000  0.0000  0.0000  1
  Pb  Pb2  24  0.0000  0.2500  0.1250  1
  Cl  Cl3  96  0.0278  0.0399  0.3378  1
]