data_[Cs3Na6Pu3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R3]
_cell_length_a [7.3527]
_cell_length_b [7.3527]
_cell_length_c [20.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2PuCl6]
_chemical_formula_sum '[Cs3 Na6 Pu3 Cl18]'
_cell_volume [950.5631]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.7920  1
  Na  Na1  3  0.0000  0.0000  0.0035  1
  Na  Na2  3  0.0000  0.0000  0.5207  1
  Pu  Pu3  3  0.0000  0.0000  0.3252  1
  Cl  Cl4  9  0.0006  0.3255  0.2580  1
  Cl  Cl5  9  0.1219  0.7679  0.0821  1
]