data_[Pu36Os3Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7675]
_cell_length_b [10.7675]
_cell_length_c [11.1374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12OsRu6]
_chemical_formula_sum '[Pu36 Os3 Ru18]'
_cell_volume [1118.2594]
_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  18  0.0569  0.8728  0.7855  1
  Pu  Pu1  18  0.0597  0.2428  0.4171  1
  Ru  Ru2  18  0.0552  0.5981  0.7044  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]