data_[Pu12Sn4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3224]
_cell_length_b [9.3880]
_cell_length_c [9.3026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pu6Sn2Ru]
_chemical_formula_sum '[Pu12 Sn4 Ru2]'
_cell_volume [417.5242]
_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  4  0.0356  0.6693  0.0489  1
  Pu  Pu1  4  0.2542  0.0991  0.1801  1
  Pu  Pu2  4  0.3819  0.7470  0.8515  1
  Sn  Sn3  4  0.2566  0.0916  0.8224  1
  Ru  Ru4  2  0.5000  0.0000  0.5000  1
]