data_[Cs1Pu1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9689]
_cell_length_b [7.3247]
_cell_length_c [9.8415]
_cell_angle_alpha [83.6678]
_cell_angle_beta [85.8752]
_cell_angle_gamma [86.9536]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPu(SnBr4)2]
_chemical_formula_sum '[Cs1 Pu1 Sn2 Br8]'
_cell_volume [497.4815]
_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
  Sn  Sn2  2  0.4799  0.4841  0.7517  1
  Br  Br3  2  0.2347  0.3252  0.9704  1
  Br  Br4  2  0.2507  0.8426  0.7959  1
  Br  Br5  2  0.2588  0.8539  0.2049  1
  Br  Br6  2  0.2605  0.3985  0.5548  1
]