data_[Y20Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8313]
_cell_length_b [6.3858]
_cell_length_c [7.3312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y5Ru2]
_chemical_formula_sum '[Y20 Ru8]'
_cell_volume [735.1687]
_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  0.0930  0.3874  0.4145  1.0
  Y  Y1  8  0.2169  0.0766  0.8154  1.0
  Y  Y2  4  0.0000  0.0791  0.7500  1.0
  Ru  Ru3  8  0.1108  0.2138  0.0771  1.0
]