data_[Ce4Pu20Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7003]
_cell_length_b [8.7003]
_cell_length_c [13.2795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CePu5Pb3]
_chemical_formula_sum '[Ce4 Pu20 Pb12]'
_cell_volume [1005.1965]
_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  0.0000  0.5000  0.2500  1
  Pu  Pu1  16  0.1922  0.3078  0.3480  1
  Pu  Pu2  4  0.0000  0.0000  0.0000  1
  Pb  Pb3  8  0.1196  0.3804  0.0000  1
  Pb  Pb4  4  0.0000  0.0000  0.2500  1
]