data_[Pu6Ga2Au6]
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 [Imm2]
_cell_length_a [3.1613]
_cell_length_b [4.8683]
_cell_length_c [20.1265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pu3GaAu3]
_chemical_formula_sum '[Pu6 Ga2 Au6]'
_cell_volume [309.7564]
_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  0.1980  1
  Pu  Pu1  2  0.0000  0.0000  0.8016  1
  Pu  Pu2  2  0.0000  0.5000  0.9999  1
  Ga  Ga3  2  0.0000  0.5000  0.5684  1
  Au  Au4  2  0.0000  0.0000  0.3553  1
  Au  Au5  2  0.0000  0.0000  0.6403  1
  Au  Au6  2  0.0000  0.5000  0.4365  1
]