data_[Y8Si8Ru4]
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/m]
_cell_length_a [10.6524]
_cell_length_b [4.2260]
_cell_length_c [10.0797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Si2Ru]
_chemical_formula_sum '[Y8 Si8 Ru4]'
_cell_volume [397.2843]
_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  0.0052  0.0000  0.6770  1.0
  Y  Y1  4  0.1857  0.0000  0.1087  1.0
  Si  Si2  4  0.0035  0.5000  0.8766  1.0
  Si  Si3  4  0.1471  0.5000  0.5626  1.0
  Ru  Ru4  4  0.2294  0.5000  0.3748  1.0
]