data_[Pu2Sn4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4736]
_cell_length_b [4.9753]
_cell_length_c [8.2797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu(SnAu4)2]
_chemical_formula_sum '[Pu2 Sn4 Au16]'
_cell_volume [455.6343]
_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  0.5000  0.0000  1
  Sn  Sn1  4  0.1910  0.0000  0.7404  1
  Au  Au2  4  0.0503  0.0000  0.3021  1
  Au  Au3  4  0.0733  0.5000  0.7115  1
  Au  Au4  4  0.1658  0.0000  0.0807  1
  Au  Au5  4  0.1841  0.5000  0.4711  1
]