data_[Pu2U2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.7387]
_cell_length_b [4.3562]
_cell_length_c [12.8393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7860]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuUBr5]
_chemical_formula_sum '[Pu2 U2 Br10]'
_cell_volume [526.6541]
_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  0.0860  0.2500  0.3551  1
  U  U1  2  0.1686  0.7500  0.7701  1
  Br  Br2  2  0.0276  0.7500  0.1890  1
  Br  Br3  2  0.1564  0.7500  0.5230  1
  Br  Br4  2  0.2880  0.7500  0.9818  1
  Br  Br5  2  0.3524  0.2500  0.7480  1
  Br  Br6  2  0.3641  0.2500  0.3700  1
]