data_[Pu2Al12Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3908]
_cell_length_b [9.1430]
_cell_length_c [9.4635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pu(AlAg)6]
_chemical_formula_sum '[Pu2 Al12 Ag12]'
_cell_volume [466.4418]
_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
  Al  Al2  4  0.0000  0.2762  0.5000  1
  Ag  Ag3  4  0.0000  0.0000  0.3478  1
  Ag  Ag4  4  0.0000  0.3410  0.0000  1
  Ag  Ag5  4  0.0000  0.5000  0.2995  1
]