data_[Li4Pu2I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [I-4m2]
_cell_length_a [6.2781]
_cell_length_b [6.2781]
_cell_length_c [7.4598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Li2PuIO8]
_chemical_formula_sum '[Li4 Pu2 I2 O16]'
_cell_volume [294.0279]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.2500  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  I  I3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.0000  0.2100  0.6929  1
  O  O5  8  0.0000  0.3011  0.0324  1
]