data_[Na6Pu3Tl3F18]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1734]
_cell_length_b [6.1734]
_cell_length_c [16.1306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2PuTlF6]
_chemical_formula_sum '[Na6 Pu3 Tl3 F18]'
_cell_volume [532.3977]
_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  0.4748  1
  Na  Na1  3  0.0000  0.0000  0.9857  1
  Pu  Pu2  3  0.0000  0.0000  0.6855  1
  Tl  Tl3  3  0.0000  0.0000  0.2059  1
  F  F4  9  0.0055  0.3243  0.0750  1
  F  F5  9  0.0351  0.5938  0.2536  1
]