data_[Pb4Br6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [7.8676]
_cell_length_b [8.8607]
_cell_length_c [18.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Pb2Br3Cl]
_chemical_formula_sum '[Pb4 Br6 Cl2]'
_cell_volume [1281.9704]
_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  0.2500  0.2500  0.4813  1
  Br  Br1  4  0.0000  0.2646  0.5959  1
  Br  Br2  2  0.0000  0.5000  0.4116  1
  Cl  Cl3  2  0.0000  0.0000  0.4341  1
]