data_[Pu4Pb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [13.8109]
_cell_length_b [12.9753]
_cell_length_c [7.3920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PuPbCl5]
_chemical_formula_sum '[Pu4 Pb4 Cl20]'
_cell_volume [1239.6929]
_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
[
  Pu  Pu0  4  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.0000  0.4291  0.2500  1
  Cl  Cl2  8  0.1186  0.4317  0.6638  1
  Cl  Cl3  8  0.1335  0.0779  0.8378  1
  Cl  Cl4  4  0.0000  0.1572  0.2500  1
]