data_[Pb4Cl8]
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 [C2/m]
_cell_length_a [13.2089]
_cell_length_b [4.0612]
_cell_length_c [7.3488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbCl2]
_chemical_formula_sum '[Pb4 Cl8]'
_cell_volume [380.9734]
_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  0.1074  0.0000  0.8056  1.0
  Cl  Cl1  4  0.2380  0.0000  0.1999  1.0
  Cl  Cl2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  2  0.0000  0.5000  0.5000  1.0
]