data_[Pb4Cl6]
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 [Pmma]
_cell_length_a [11.5199]
_cell_length_b [3.8776]
_cell_length_c [20.9209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Pb2Cl3]
_chemical_formula_sum '[Pb4 Cl6]'
_cell_volume [934.5328]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Pb  Pb1  2  0.2500  0.0000  0.6415  1
  Cl  Cl2  4  0.0092  0.0000  0.6034  1
  Cl  Cl3  2  0.2500  0.5000  0.5147  1
]