data_[K1Na2Pu1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1997]
_cell_length_b [9.1354]
_cell_length_c [6.4951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KNa2PuCl8]
_chemical_formula_sum '[K1 Na2 Pu1 Cl8]'
_cell_volume [367.2493]
_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
  Na  Na1  2  0.5000  0.2489  0.5000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2342  0.2036  0.8553  1
  Cl  Cl4  2  0.2463  0.5000  0.4583  1
  Cl  Cl5  2  0.2498  0.0000  0.3329  1
]