data_[Pu6Mg3Ga9Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.7312]
_cell_length_b [9.7312]
_cell_length_c [13.6543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2Mg(GaAu4)3]
_chemical_formula_sum '[Pu6 Mg3 Ga9 Au36]'
_cell_volume [1119.7886]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2944  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Ga  Ga2  9  0.0000  0.5000  0.5000  1
  Au  Au3  18  0.0098  0.5049  0.6972  1
  Au  Au4  18  0.0211  0.5105  0.1021  1
]