data_[Cs4Pu4In4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9203]
_cell_length_b [13.5147]
_cell_length_c [10.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsPuInCl5]
_chemical_formula_sum '[Cs4 Pu4 In4 Cl20]'
_cell_volume [1204.6111]
_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
[
  Cs  Cs0  4  0.0000  0.3517  0.7500  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.3332  0.2500  1
  Cl  Cl3  8  0.1110  0.1791  0.0937  1
  Cl  Cl4  8  0.2090  0.4430  0.4942  1
  Cl  Cl5  4  0.0000  0.0829  0.7500  1
]