data_[Nd4Si8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1494]
_cell_length_b [4.0816]
_cell_length_c [10.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdSi2Ru]
_chemical_formula_sum '[Nd4 Si8 Ru4]'
_cell_volume [296.7138]
_cell_formula_units_Z [4]
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  0.1503  0.7500  0.1240  1.0
  Si  Si1  4  0.1564  0.7500  0.8146  1.0
  Si  Si2  4  0.1867  0.7500  0.4230  1.0
  Ru  Ru3  4  0.0127  0.2500  0.3888  1.0
]