data_[Y8Sn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.3469]
_cell_length_b [12.7710]
_cell_length_c [6.2164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Y2Sn2Ru]
_chemical_formula_sum '[Y8 Sn8 Ru4]'
_cell_volume [503.8735]
_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  0.2073  0.3397  0.5000  1.0
  Sn  Sn1  8  0.1866  0.0849  0.5000  1.0
  Ru  Ru2  4  0.0000  0.5000  0.2500  1.0
]