data_[Pu36Tc3Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tc  1.9000  1.3500  0.7417
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7730]
_cell_length_b [10.7730]
_cell_length_c [11.1146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12TcRu6]
_chemical_formula_sum '[Pu36 Tc3 Ru18]'
_cell_volume [1117.1143]
_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  0.0570  0.8728  0.7866  1
  Pu  Pu1  18  0.0599  0.2421  0.4166  1
  Tc  Tc2  3  0.0000  0.0000  0.0000  1
  Ru  Ru3  18  0.0536  0.5981  0.7041  1
]