data_[Ir2Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  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 [8.3681]
_cell_length_b [10.1869]
_cell_length_c [7.1413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1306]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrPbCl6]
_chemical_formula_sum '[Ir2 Pb2 Cl12]'
_cell_volume [541.7716]
_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
[
  Ir  Ir0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl2  8  0.1263  0.1607  0.2632  1.0
  Cl  Cl3  4  0.2466  0.5000  0.0589  1.0
]