data_[Pu12In3Sn6Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3221]
_cell_length_b [5.3221]
_cell_length_c [26.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu4InSn2Au]
_chemical_formula_sum '[Pu12 In3 Sn6 Au3]'
_cell_volume [640.7755]
_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  0.1290  1
  Pu  Pu1  6  0.0000  0.0000  0.3803  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  6  0.0000  0.0000  0.2539  1
  Au  Au4  3  -0.0000  -0.0000  0.5000  1
]