data_[Pu6Pt2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5594]
_cell_length_b [4.1758]
_cell_length_c [11.9270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu3PtBr3]
_chemical_formula_sum '[Pu6 Pt2 Br6]'
_cell_volume [425.7562]
_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  0.0970  0.2500  0.8403  1
  Pu  Pu1  2  0.1717  0.2500  0.3611  1
  Pu  Pu2  2  0.2743  0.7500  0.5969  1
  Pt  Pt3  2  0.0421  0.2500  0.5935  1
  Br  Br4  2  0.1469  0.2500  0.1020  1
  Br  Br5  2  0.3441  0.7500  0.8539  1
  Br  Br6  2  0.4441  0.7500  0.3670  1
]