data_[K2Pu1Pb1Cl8]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8256]
_cell_length_b [8.8429]
_cell_length_c [7.1186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2PuPbCl8]
_chemical_formula_sum '[K2 Pu1 Pb1 Cl8]'
_cell_volume [429.2470]
_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  2  0.5000  0.2524  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.2081  0.2195  0.8592  1
  Cl  Cl4  2  0.2277  0.0000  0.2999  1
  Cl  Cl5  2  0.2567  0.5000  0.3140  1
]