data_[Ce16Ir4Pb4]
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/c]
_cell_length_a [8.1893]
_cell_length_b [14.3282]
_cell_length_c [5.8628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce4IrPb]
_chemical_formula_sum '[Ce16 Ir4 Pb4]'
_cell_volume [639.8105]
_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  8  0.0848  0.1902  0.5873  1.0
  Ce  Ce1  8  0.2121  0.4218  0.8490  1.0
  Ir  Ir2  4  0.0000  0.0144  0.2500  1.0
  Pb  Pb3  4  0.0000  0.3783  0.2500  1.0
]