data_[Pu8I8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7283]
_cell_length_b [3.9498]
_cell_length_c [12.1153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2I2O]
_chemical_formula_sum '[Pu8 I8 O4]'
_cell_volume [564.7961]
_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
[
  Pu  Pu0  4  0.0433  0.5000  0.1772  1
  Pu  Pu1  4  0.1869  0.5000  0.5627  1
  I  I2  4  0.0335  0.0000  0.6748  1
  I  I3  4  0.1619  0.0000  0.0839  1
  O  O4  4  0.2122  0.5000  0.3893  1
]