data_[Pu4Ag8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2508]
_cell_length_b [14.3598]
_cell_length_c [7.8188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu(AgI3)2]
_chemical_formula_sum '[Pu4 Ag8 I24]'
_cell_volume [1702.6972]
_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  0.0000  0.0824  0.7500  1
  Ag  Ag1  8  0.0650  0.4074  0.6557  1
  I  I2  8  0.1139  0.0689  0.1575  1
  I  I3  8  0.1210  0.2196  0.6703  1
  I  I4  8  0.1236  0.4271  0.0478  1
]