data_[Cs4Pu2Br8Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4523]
_cell_length_b [7.9252]
_cell_length_c [6.5579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pu(Br2Cl)2]
_chemical_formula_sum '[Cs4 Pu2 Br8 Cl4]'
_cell_volume [698.5634]
_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
[
  Cs  Cs0  4  0.1683  0.5000  0.7604  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0868  0.2510  0.2717  1
  Cl  Cl3  4  0.1584  0.0000  0.7379  1
]