data_[K2Pu2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6390]
_cell_length_b [4.1226]
_cell_length_c [8.7172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPuCl3]
_chemical_formula_sum '[K2 Pu2 Cl6]'
_cell_volume [307.3589]
_cell_formula_units_Z [2]
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  2  0.2139  0.7500  0.3793  1
  Pu  Pu1  2  0.3497  0.7500  0.8601  1
  Cl  Cl2  2  0.0525  0.7500  0.7017  1
  Cl  Cl3  2  0.3105  0.2500  0.0790  1
  Cl  Cl4  2  0.4078  0.2500  0.6478  1
]