data_[Na6Pu2Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2302]
_cell_length_b [9.9074]
_cell_length_c [7.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3PuBr7]
_chemical_formula_sum '[Na6 Pu2 Br14]'
_cell_volume [847.4843]
_cell_formula_units_Z [2]
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  4  0.4990  0.2796  0.4863  1
  Na  Na1  2  0.3919  0.0000  0.8078  1
  Pu  Pu2  2  0.0008  0.0000  0.9989  1
  Br  Br3  4  0.1362  0.1978  0.2191  1
  Br  Br4  4  0.3620  0.3028  0.7668  1
  Br  Br5  2  0.1362  0.0000  0.7510  1
  Br  Br6  2  0.3634  0.5000  0.2327  1
  Br  Br7  2  0.4884  0.0000  0.5152  1
]