data_[Cs2Pu8I16]
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
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [8.4104]
_cell_length_b [8.4104]
_cell_length_c [20.1241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cs(PuI2)4]
_chemical_formula_sum '[Cs2 Pu8 I16]'
_cell_volume [1232.7672]
_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  0.0000  0.0000  1
  Pu  Pu1  6  0.0197  0.5099  0.2500  1
  Pu  Pu2  2  0.0000  0.0000  0.2500  1
  I  I3  12  0.1694  0.3387  0.6484  1
  I  I4  4  0.3333  0.6667  0.1397  1
]