data_[Y8Si4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1450]
_cell_length_b [5.5011]
_cell_length_c [7.3167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2SiRu2]
_chemical_formula_sum '[Y8 Si4 Ru8]'
_cell_volume [398.5334]
_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
[
  Y  Y0  8  0.1424  0.3582  0.1419  1.0
  Si  Si1  4  0.0000  0.0954  0.7500  1.0
  Ru  Ru2  8  0.1331  0.1438  0.5128  1.0
]