data_[K8Na4Pu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Cmc2_1]
_cell_length_a [4.4742]
_cell_length_b [19.0186]
_cell_length_c [15.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaPuBr5]
_chemical_formula_sum '[K8 Na4 Pu4 Br20]'
_cell_volume [1276.4605]
_cell_formula_units_Z [4]
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  4  0.0000  0.0865  0.6614  1
  K  K1  4  0.0000  0.1300  0.2978  1
  Na  Na2  4  0.0000  0.4580  0.4509  1
  Pu  Pu3  4  0.0000  0.2261  0.0261  1
  Br  Br4  4  0.0000  0.0713  0.0612  1
  Br  Br5  4  0.0000  0.2634  0.6635  1
  Br  Br6  4  0.0000  0.2967  0.3954  1
  Br  Br7  4  0.0000  0.3811  0.9941  1
  Br  Br8  4  0.0000  0.4986  0.7737  1
]