data_[Pb4I2Cl6]
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 [Pnc2]
_cell_length_a [21.5978]
_cell_length_b [8.4868]
_cell_length_c [8.2936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Pb2ICl3]
_chemical_formula_sum '[Pb4 I2 Cl6]'
_cell_volume [1520.1867]
_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  4  0.0676  0.2229  0.7324  1
  I  I1  2  0.0000  0.0000  0.0393  1
  Cl  Cl2  4  0.1527  0.2225  0.5002  1
  Cl  Cl3  2  0.0000  0.0000  0.5425  1
]