data_[Pb4Cl12]
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 [Cm]
_cell_length_a [15.9342]
_cell_length_b [4.0788]
_cell_length_c [8.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PbCl3]
_chemical_formula_sum '[Pb4 Cl12]'
_cell_volume [536.9759]
_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  2  0.1371  0.0000  0.3298  1.0
  Pb  Pb1  2  0.3994  0.5000  0.6662  1.0
  Cl  Cl2  2  0.0599  0.0000  0.8127  1.0
  Cl  Cl3  2  0.1148  0.5000  0.1159  1.0
  Cl  Cl4  2  0.1615  0.5000  0.5505  1.0
  Cl  Cl5  2  0.2972  0.0000  0.3444  1.0
  Cl  Cl6  2  0.3547  0.0000  0.8480  1.0
  Cl  Cl7  2  0.4800  0.5000  0.3326  1.0
]