data_[Pu4Al12Cu4Au4]
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
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0751]
_cell_length_b [12.7192]
_cell_length_c [5.8695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuAl3CuAu]
_chemical_formula_sum '[Pu4 Al12 Cu4 Au4]'
_cell_volume [453.5344]
_cell_formula_units_Z [4]
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  4  0.0000  0.2913  0.7500  1
  Al  Al1  8  0.2146  0.5000  0.0000  1
  Al  Al2  4  0.0000  0.1333  0.2500  1
  Cu  Cu3  4  0.0000  0.0766  0.7500  1
  Au  Au4  4  0.0000  0.3424  0.2500  1
]