data_[Ir8Pb8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.1393]
_cell_length_b [6.3917]
_cell_length_c [9.2096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [IrPb]
_chemical_formula_sum '[Ir8 Pb8]'
_cell_volume [361.3930]
_cell_formula_units_Z [8]
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  4  0.1492  0.4351  0.1307  1
  Ir  Ir1  4  0.1880  0.1012  0.2710  1
  Pb  Pb2  4  0.0377  0.8748  0.0260  1
  Pb  Pb3  4  0.1159  0.3115  0.8362  1
]