data_[Na6Pu3Tl3Br18]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6169]
_cell_length_b [7.6169]
_cell_length_c [21.1443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2PuTlBr6]
_chemical_formula_sum '[Na6 Pu3 Tl3 Br18]'
_cell_volume [1062.3786]
_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  3  0.0000  0.0000  0.4821  1
  Na  Na1  3  0.0000  0.0000  0.9956  1
  Pu  Pu2  3  0.0000  0.0000  0.6746  1
  Tl  Tl3  3  0.0000  0.0000  0.1909  1
  Br  Br4  9  0.0046  0.3480  0.4127  1
  Br  Br5  9  0.0232  0.6200  0.2524  1
]