data_[Nd36Ag18Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1193]
_cell_length_b [12.1193]
_cell_length_c [13.5692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Ag6Ru]
_chemical_formula_sum '[Nd36 Ag18 Ru3]'
_cell_volume [1725.9919]
_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
[
  Nd  Nd0  18  0.0356  0.8426  0.8737  1
  Nd  Nd1  18  0.0436  0.1951  0.3899  1
  Ag  Ag2  18  0.0000  0.5990  0.7407  1
  Ru  Ru3  3  0.0000  0.0000  0.0000  1
]