data_[K4Pu4F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3436]
_cell_length_b [7.5296]
_cell_length_c [8.9201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KPuF5]
_chemical_formula_sum '[K4 Pu4 F20]'
_cell_volume [632.7700]
_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  0.4731  0.7500  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  F  F2  8  0.0098  0.2804  0.4758  1
  F  F3  8  0.2225  0.0147  0.1096  1
  F  F4  4  0.0000  0.0567  0.7500  1
]