data_[Pu4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4969]
_cell_length_b [5.5372]
_cell_length_c [13.4609]
_cell_angle_alpha [99.2779]
_cell_angle_beta [97.1672]
_cell_angle_gamma [89.9954]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pu2Cl3]
_chemical_formula_sum '[Pu4 Cl6]'
_cell_volume [255.1703]
_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
[
  Pu  Pu0  2  0.0613  0.3000  0.1273  1
  Pu  Pu1  2  0.4993  0.2493  0.9985  1
  Cl  Cl2  2  0.0786  0.8145  0.1645  1
  Cl  Cl3  2  0.3645  0.6407  0.7187  1
  Cl  Cl4  2  0.4450  0.1549  0.5451  1
]