data_[Na9Pu3Tl9I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.4392]
_cell_length_b [9.4392]
_cell_length_c [24.4557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3PuTl3I8]
_chemical_formula_sum '[Na9 Pu3 Tl9 I24]'
_cell_volume [1887.0550]
_cell_formula_units_Z [3]
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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1
  Pu  Pu1  3  -0.0000  -0.0000  0.0000  1
  Tl  Tl2  9  0.0000  0.5000  0.5000  1
  I  I3  18  0.0042  0.5021  0.7402  1
  I  I4  6  0.0000  0.0000  0.2596  1
]