data_[Ce12Ir8Pb4]
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 [C2/m]
_cell_length_a [15.5331]
_cell_length_b [4.7117]
_cell_length_c [8.7963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ir2Pb]
_chemical_formula_sum '[Ce12 Ir8 Pb4]'
_cell_volume [604.9524]
_cell_formula_units_Z [4]
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  0.0770  0.0000  0.7018  1
  Ce  Ce1  4  0.0970  0.5000  0.3630  1
  Ce  Ce2  4  0.2413  0.0000  0.2284  1
  Ir  Ir3  4  0.0530  0.0000  0.1555  1
  Ir  Ir4  4  0.1966  0.0000  0.5453  1
  Pb  Pb5  4  0.1108  0.5000  0.9799  1
]