data_[Ce16Ir8Pb4]
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 [Cmcm]
_cell_length_a [4.2872]
_cell_length_b [13.2398]
_cell_length_c [13.8752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce4Ir2Pb]
_chemical_formula_sum '[Ce16 Ir8 Pb4]'
_cell_volume [787.5832]
_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  0.0000  0.2356  0.6117  1.0
  Ce  Ce1  4  0.0000  0.0702  0.2500  1.0
  Ce  Ce2  4  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  8  0.0000  0.1285  0.0586  1.0
  Pb  Pb4  4  0.0000  0.3872  0.2500  1.0
]