data_[Pu16Ir6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8377]
_cell_length_b [9.4356]
_cell_length_c [4.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu8Ir3Au2]
_chemical_formula_sum '[Pu16 Ir6 Au4]'
_cell_volume [579.9189]
_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  8  0.1353  0.2919  0.6266  1
  Pu  Pu1  4  0.0468  0.5000  0.7768  1
  Pu  Pu2  4  0.1268  0.0000  0.1092  1
  Ir  Ir3  4  0.0000  0.2296  0.0000  1
  Ir  Ir4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.2350  0.5000  0.2519  1
]