data_[Na2Pu4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.3006]
_cell_length_b [11.2255]
_cell_length_c [5.6993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPu2Br8]
_chemical_formula_sum '[Na2 Pu4 Br16]'
_cell_volume [978.8368]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.2344  0.0000  0.7542  1
  Br  Br2  8  0.1137  0.1790  0.7665  1
  Br  Br3  4  0.0912  0.5000  0.2451  1
  Br  Br4  4  0.2310  0.0000  0.2556  1
]