data_[Cs1Pu1H2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3428]
_cell_length_b [7.3486]
_cell_length_c [10.1383]
_cell_angle_alpha [77.7521]
_cell_angle_beta [72.5578]
_cell_angle_gamma [75.9166]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPu(HBr4)2]
_chemical_formula_sum '[Cs1 Pu1 H2 Br8]'
_cell_volume [500.4519]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.2684  0.5663  0.2381  1
  Br  Br3  2  0.2216  0.6477  0.0152  1
  Br  Br4  2  0.2237  0.1108  0.1234  1
  Br  Br5  2  0.2384  0.0983  0.7464  1
  Br  Br6  2  0.2924  0.5059  0.3805  1
]