data_[Pu8Br6F14]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2922]
_cell_length_b [3.9838]
_cell_length_c [10.9416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4Br3F7]
_chemical_formula_sum '[Pu8 Br6 F14]'
_cell_volume [553.2582]
_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  0.1124  0.0000  0.9326  1
  Pu  Pu1  4  0.1494  0.5000  0.5121  1
  Br  Br2  4  0.2082  0.5000  0.2128  1
  Br  Br3  2  0.0000  0.0000  0.5000  1
  F  F4  4  0.0055  0.5000  0.2398  1
  F  F5  4  0.1758  0.0000  0.4208  1
  F  F6  4  0.1913  0.5000  0.9046  1
  F  F7  2  0.0000  0.0000  0.0000  1
]