data_[Cs1Na1Pu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2985]
_cell_length_b [9.0485]
_cell_length_c [7.4113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNaPu2Br8]
_chemical_formula_sum '[Cs1 Na1 Pu2 Br8]'
_cell_volume [487.1111]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Na  Na1  1  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.5000  0.2425  0.5000  1
  Br  Br3  4  0.2786  0.2165  0.1674  1
  Br  Br4  2  0.2799  0.0000  0.6273  1
  Br  Br5  2  0.2849  0.5000  0.6078  1
]