data_[Pu16In8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1285]
_cell_length_b [9.9357]
_cell_length_c [17.2149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pu2InAu3]
_chemical_formula_sum '[Pu16 In8 Au24]'
_cell_volume [1048.2366]
_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  0.2431  0.0000  0.0000  1
  Pu  Pu1  8  0.2500  0.2500  0.2500  1
  In  In2  8  0.0000  0.0000  0.3339  1
  Au  Au3  16  0.0000  0.2478  0.4167  1
  Au  Au4  8  0.0000  0.0000  0.1669  1
]