data_[Pu4Ga12Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2757]
_cell_length_b [13.6963]
_cell_length_c [15.7422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuGa3Au5]
_chemical_formula_sum '[Pu4 Ga12 Au20]'
_cell_volume [706.2648]
_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  0.1999  0.2500  1
  Ga  Ga1  8  0.0000  0.3434  0.5344  1
  Ga  Ga2  4  0.0000  0.0874  0.7500  1
  Au  Au3  8  0.0000  0.1752  0.6056  1
  Au  Au4  8  0.0000  0.4725  0.6574  1
  Au  Au5  4  0.0000  0.0000  0.0000  1
]