data_[Pb8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [11.7342]
_cell_length_b [11.7342]
_cell_length_c [18.2034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [PbCl2]
_chemical_formula_sum '[Pb8 Cl16]'
_cell_volume [2506.4498]
_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
[
  Pb  Pb0  8  0.0038  0.2390  0.4820  1
  Cl  Cl1  8  0.1410  0.1547  0.5816  1
  Cl  Cl2  4  0.2215  0.2785  0.4058  1
  Cl  Cl3  2  0.0000  0.0000  0.4177  1
  Cl  Cl4  2  0.0000  0.5000  0.5155  1
]