data_[Pu8H4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5391]
_cell_length_b [4.0659]
_cell_length_c [10.9713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2HBr3]
_chemical_formula_sum '[Pu8 H4 Br12]'
_cell_volume [649.4595]
_cell_formula_units_Z [4]
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  0.0859  0.5000  0.4547  1
  Pu  Pu1  4  0.1407  0.0000  0.7988  1
  H  H2  4  0.0771  0.5000  0.6630  1
  Br  Br3  4  0.0481  0.0000  0.2374  1
  Br  Br4  4  0.1546  0.5000  0.0068  1
  Br  Br5  4  0.2291  0.0000  0.6203  1
]