data_[Pu16Re8]
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
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [11.7390]
_cell_length_b [11.7390]
_cell_length_c [11.7390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Pu2Re]
_chemical_formula_sum '[Pu16 Re8]'
_cell_volume [1617.6801]
_cell_formula_units_Z [8]
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  16  0.1250  0.1250  0.1250  1
  Re  Re1  8  0.0000  0.0000  0.0000  1
]