data_[Na24Pu6Cl36]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.2824]
_cell_length_b [12.2824]
_cell_length_c [14.6034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Na4PuCl6]
_chemical_formula_sum '[Na24 Pu6 Cl36]'
_cell_volume [1907.8937]
_cell_formula_units_Z [6]
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  18  0.0000  0.3295  0.7500  1
  Na  Na1  6  0.0000  0.0000  0.2500  1
  Pu  Pu2  6  0.0000  0.0000  0.0000  1
  Cl  Cl3  36  0.0483  0.2004  0.8847  1
]