data_[Ce12Ir2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.2208]
_cell_length_b [11.4824]
_cell_length_c [5.6334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Ce6IrPb3]
_chemical_formula_sum '[Ce12 Ir2 Pb6]'
_cell_volume [596.4452]
_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
[
  Ce  Ce0  4  0.0022  0.7740  0.0000  1
  Ce  Ce1  4  0.1463  0.9528  0.5000  1
  Ce  Ce2  4  0.1768  0.5461  0.5000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  4  0.1566  0.2505  0.5000  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]