data_[Pu4I4Cl2O2]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9773]
_cell_length_b [12.2029]
_cell_length_c [7.6387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Pu2I2ClO]
_chemical_formula_sum '[Pu4 I4 Cl2 O2]'
_cell_volume [370.7415]
_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
[
  Pu  Pu0  2  0.0000  0.2986  0.2402  1
  Pu  Pu1  2  0.5000  0.4359  0.8595  1
  I  I2  2  0.0000  0.2267  0.8525  1
  I  I3  2  0.5000  0.1190  0.3692  1
  Cl  Cl4  2  0.0000  0.4363  0.5393  1
  O  O5  2  0.5000  0.3941  0.1848  1
]