data_[Y2Si6Ru2]
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 [I4mm]
_cell_length_a [4.1626]
_cell_length_b [4.1626]
_cell_length_c [9.9403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [YSi3Ru]
_chemical_formula_sum '[Y2 Si6 Ru2]'
_cell_volume [172.2415]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4235  1.0
  Si  Si1  4  0.0000  0.5000  0.1576  1.0
  Si  Si2  2  0.0000  0.0000  0.0004  1.0
  Ru  Ru3  2  0.0000  0.0000  0.7660  1.0
]