data_[Nd8Pu16Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.5707]
_cell_length_b [9.4060]
_cell_length_c [6.0284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdPu2Ru]
_chemical_formula_sum '[Nd8 Pu16 Ru8]'
_cell_volume [826.1947]
_cell_formula_units_Z [8]
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
[
  Nd  Nd0  4  0.1069  0.2500  0.7404  1
  Nd  Nd1  4  0.1437  0.7500  0.4642  1
  Pu  Pu2  8  0.0369  0.0588  0.2429  1
  Pu  Pu3  8  0.2135  0.5606  0.9488  1
  Ru  Ru4  4  0.0733  0.7500  0.9792  1
  Ru  Ru5  4  0.1763  0.2500  0.2325  1
]