data_[Pu16Ag16Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.2404]
_cell_length_b [8.6879]
_cell_length_c [19.6665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [PuAgBi]
_chemical_formula_sum '[Pu16 Ag16 Bi16]'
_cell_volume [1407.9669]
_cell_formula_units_Z [16]
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  0.0000  0.0000  0.1233  1
  Ag  Ag1  16  0.1250  0.1250  0.6250  1
  Bi  Bi2  16  0.0000  0.2443  0.0000  1
]