data_[Ce2Pu4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4797]
_cell_length_b [12.4753]
_cell_length_c [5.4688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePu2Cl8]
_chemical_formula_sum '[Ce2 Pu4 Cl16]'
_cell_volume [558.2802]
_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  2  0.0000  0.0000  0.5000  1
  Pu  Pu1  4  0.0000  0.3170  0.0000  1
  Cl  Cl2  8  0.1942  0.1286  0.0945  1
  Cl  Cl3  4  0.0000  0.2299  0.5000  1
  Cl  Cl4  4  0.1402  0.5000  0.3173  1
]