data_[Pu4I4Cl24]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6636]
_cell_length_b [9.5785]
_cell_length_c [11.7750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.6428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuICl6]
_chemical_formula_sum '[Pu4 I4 Cl24]'
_cell_volume [1360.0683]
_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  0.2500  0.2500  0.5000  1
  I  I1  4  0.2500  0.2500  0.0000  1
  Cl  Cl2  8  0.0785  0.1841  0.4345  1
  Cl  Cl3  8  0.1367  0.3151  0.2224  1
  Cl  Cl4  4  0.1732  0.5000  0.8869  1
  Cl  Cl5  4  0.2285  0.5000  0.5756  1
]