data_[K4Li4Pu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9033]
_cell_length_b [12.1304]
_cell_length_c [10.1244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiPuCl5]
_chemical_formula_sum '[K4 Li4 Pu4 Cl20]'
_cell_volume [1003.7545]
_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  0.3511  0.2500  1
  Li  Li1  4  0.0000  0.3102  0.7500  1
  Pu  Pu2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.1165  0.1996  0.6187  1
  Cl  Cl4  8  0.1854  0.4354  0.9258  1
  Cl  Cl5  4  0.0000  0.0872  0.2500  1
]