data_[Cs2Pu2I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [14.8637]
_cell_length_b [5.8722]
_cell_length_c [6.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5183]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPu(IO4)2]
_chemical_formula_sum '[Cs2 Pu2 I4 O16]'
_cell_volume [481.8835]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.5000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.2178  0.0000  0.6523  1
  O  O3  8  0.0849  0.2211  0.9762  1
  O  O4  4  0.0866  0.0000  0.4435  1
  O  O5  4  0.2192  0.5000  0.5555  1
]