data_[Pu2Al8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.2542]
_cell_length_b [9.2542]
_cell_length_c [5.5237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pu(AlAu2)4]
_chemical_formula_sum '[Pu2 Al8 Au16]'
_cell_volume [473.0500]
_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  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.2500  0.2500  0.2500  1
  Au  Au2  8  0.0000  0.2187  0.5000  1
  Au  Au3  8  0.0000  0.3288  0.0000  1
]