data_[Pu2H4Br8]
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 [15.7135]
_cell_length_b [3.7424]
_cell_length_c [7.0876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu(HBr2)2]
_chemical_formula_sum '[Pu2 H4 Br8]'
_cell_volume [415.7680]
_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  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.1566  0.5000  0.7853  1
  Br  Br2  4  0.0785  0.5000  0.2599  1
  Br  Br3  4  0.1576  0.0000  0.7838  1
]