data_[Ce16Ir4Pb2]
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 [8.4061]
_cell_length_b [13.3405]
_cell_length_c [5.4597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8Ir2Pb]
_chemical_formula_sum '[Ce16 Ir4 Pb2]'
_cell_volume [595.1711]
_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  8  0.1994  0.1075  0.0605  1.0
  Ce  Ce1  4  0.0000  0.2556  0.5000  1.0
  Ce  Ce2  4  0.0789  0.5000  0.3136  1.0
  Ir  Ir3  4  0.0000  0.2930  0.0000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]