data_[Pu8P2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0451]
_cell_length_b [4.0379]
_cell_length_c [8.3858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4PBr5]
_chemical_formula_sum '[Pu8 P2 Br10]'
_cell_volume [598.1139]
_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  0.0007  0.0000  0.2298  1
  Pu  Pu1  4  0.1578  0.5000  0.0685  1
  P  P2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1674  0.0000  0.3299  1
  Br  Br4  4  0.1699  0.0000  0.8137  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]