data_[K1Pu1Cd2Br8]
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
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7395]
_cell_length_b [8.6993]
_cell_length_c [6.9940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KPu(CdBr4)2]
_chemical_formula_sum '[K1 Pu1 Cd2 Br8]'
_cell_volume [410.0381]
_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
  Cd  Cd2  2  0.5000  0.2573  0.5000  1
  Br  Br3  4  0.2566  0.2241  0.1698  1
  Br  Br4  2  0.2680  0.0000  0.6638  1
  Br  Br5  2  0.2728  0.5000  0.6319  1
]