data_[K1Pu1Sn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2/m]
_cell_length_a [6.9432]
_cell_length_b [9.0910]
_cell_length_c [7.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KPu(SnBr4)2]
_chemical_formula_sum '[K1 Pu1 Sn2 Br8]'
_cell_volume [455.2754]
_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
[
  K  K0  1  0.0000  0.5000  0.0000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  2  0.5000  0.2529  0.5000  1
  Br  Br3  4  0.2472  0.2239  0.1575  1
  Br  Br4  2  0.2445  0.0000  0.6770  1
  Br  Br5  2  0.2740  0.5000  0.6330  1
]