data_[Pu12Re12Si24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [9.4659]
_cell_length_b [10.4941]
_cell_length_c [8.2119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [PuReSi2]
_chemical_formula_sum '[Pu12 Re12 Si24]'
_cell_volume [815.7342]
_cell_formula_units_Z [12]
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  8  0.1739  0.5415  0.2490  1
  Pu  Pu1  4  0.1800  0.8172  0.0000  1
  Re  Re2  8  0.0916  0.2554  0.2445  1
  Si  Si3  8  0.1585  0.8146  0.3522  1
  Re  Re4  4  0.0000  0.0000  0.2521  1
  Si  Si5  4  0.0265  0.3823  0.0000  1
  Si  Si6  4  0.0321  0.3652  0.5000  1
  Si  Si7  4  0.1153  0.1103  0.5000  1
  Si  Si8  4  0.1196  0.0950  0.0000  1
]