data_[Pu4Br2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.4571]
_cell_length_b [13.4354]
_cell_length_c [4.1481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu2BrO7]
_chemical_formula_sum '[Pu4 Br2 O14]'
_cell_volume [359.8684]
_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  4  0.0000  0.3448  0.5000  1
  Br  Br1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.2205  0.1547  0.5000  1
  O  O3  4  0.0000  0.3432  0.0000  1
  O  O4  2  0.0000  0.5000  0.5000  1
]