data_[Ir3Pb6Cl3]
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 [R3m]
_cell_length_a [3.4064]
_cell_length_b [3.4064]
_cell_length_c [28.8390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [IrPb2Cl]
_chemical_formula_sum '[Ir3 Pb6 Cl3]'
_cell_volume [289.7993]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7521  1
  Pb  Pb1  3  0.0000  0.0000  0.0184  1
  Pb  Pb2  3  0.0000  0.0000  0.2395  1
  Cl  Cl3  3  0.0000  0.0000  0.4899  1
]