data_[Ce4Pu2Cl12]
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 [15.1902]
_cell_length_b [3.9605]
_cell_length_c [10.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2PuCl6]
_chemical_formula_sum '[Ce4 Pu2 Cl12]'
_cell_volume [579.7272]
_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  4  0.1742  0.5000  0.3463  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.0272  0.0000  0.2846  1
  Cl  Cl3  4  0.1407  0.5000  0.0540  1
  Cl  Cl4  4  0.1840  0.5000  0.6279  1
]