data_[Y4Si12Ru20]
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 [Cmcm]
_cell_length_a [3.0117]
_cell_length_b [13.1689]
_cell_length_c [13.9341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YSi3Ru5]
_chemical_formula_sum '[Y4 Si12 Ru20]'
_cell_volume [552.6357]
_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  0.0000  0.1554  0.2500  1
  Si  Si1  8  0.0000  0.3679  0.5527  1
  Si  Si2  4  0.0000  0.1392  0.7500  1
  Ru  Ru3  8  0.0000  0.1932  0.5812  1
  Ru  Ru4  8  0.0000  0.4708  0.1551  1
  Ru  Ru5  4  0.0000  0.0000  0.0000  1
]