data_[Pb4I8Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6982]
_cell_length_b [9.6060]
_cell_length_c [13.8089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pb(ICl4)2]
_chemical_formula_sum '[Pb4 I8 Cl32]'
_cell_volume [1650.2825]
_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
[
  Pb  Pb0  4  0.0000  0.2714  0.2500  1
  I  I1  8  0.2395  0.0112  0.0526  1
  Cl  Cl2  8  0.1119  0.1677  0.0852  1
  Cl  Cl3  8  0.1187  0.3562  0.4733  1
  Cl  Cl4  8  0.1313  0.0159  0.8568  1
  Cl  Cl5  8  0.1379  0.4895  0.2441  1
]