data_[Pu16Al8Hg24]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.2289]
_cell_length_b [10.1027]
_cell_length_c [17.5564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pu2AlHg3]
_chemical_formula_sum '[Pu16 Al8 Hg24]'
_cell_volume [1104.8048]
_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  8  0.2419  0.0000  0.0000  1
  Pu  Pu1  8  0.2500  0.2500  0.2500  1
  Al  Al2  8  0.0000  0.0000  0.3339  1
  Hg  Hg3  16  0.0000  0.2409  0.4148  1
  Hg  Hg4  8  0.0000  0.0000  0.1708  1
]