data_[Y4Si8Ru4]
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 [Pnma]
_cell_length_a [7.0324]
_cell_length_b [4.0006]
_cell_length_c [10.0023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YSi2Ru]
_chemical_formula_sum '[Y4 Si8 Ru4]'
_cell_volume [281.4052]
_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  4  0.1502  0.7500  0.1259  1.0
  Si  Si1  4  0.1505  0.7500  0.8168  1.0
  Si  Si2  4  0.1972  0.7500  0.4257  1.0
  Ru  Ru3  4  0.0142  0.2500  0.3886  1.0
]