data_[Ce16Pu2Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5879]
_cell_length_b [9.0958]
_cell_length_c [11.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce8PuSb2]
_chemical_formula_sum '[Ce16 Pu2 Sb4]'
_cell_volume [602.0032]
_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  0.0000  0.1935  0.3518  1
  Ce  Ce1  4  0.0000  0.0000  0.1305  1
  Ce  Ce2  4  0.0000  0.2771  0.0000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Sb  Sb4  4  0.0000  0.5000  0.2158  1
]