data_[Ir2Pb1Cl1]
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 [Pm]
_cell_length_a [2.9426]
_cell_length_b [3.5544]
_cell_length_c [8.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ir2PbCl]
_chemical_formula_sum '[Ir2 Pb1 Cl1]'
_cell_volume [85.6052]
_cell_formula_units_Z [1]
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  1  0.4063  0.5000  0.1943  1
  Ir  Ir1  1  0.8356  0.0000  0.0373  1
  Pb  Pb2  1  0.0152  0.0000  0.4366  1
  Cl  Cl3  1  0.7428  0.5000  0.8318  1
]