data_[Pu8Ga8Au4]
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 [C2/m]
_cell_length_a [10.3588]
_cell_length_b [4.7507]
_cell_length_c [8.9854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1635]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ga2Au]
_chemical_formula_sum '[Pu8 Ga8 Au4]'
_cell_volume [426.7857]
_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  0.0470  0.5000  0.3557  1
  Pu  Pu1  4  0.1695  0.5000  0.0714  1
  Ga  Ga2  4  0.0164  0.0000  0.8620  1
  Ga  Ga3  4  0.1323  0.0000  0.5956  1
  Au  Au4  4  0.2395  0.0000  0.3160  1
]