data_[Y16Al4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9091]
_cell_length_b [13.2560]
_cell_length_c [6.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4AlRu]
_chemical_formula_sum '[Y16 Al4 Ru4]'
_cell_volume [648.5667]
_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  0.1167  0.1740  0.0782  1.0
  Y  Y1  8  0.2139  0.4307  0.3211  1.0
  Al  Al2  4  0.0000  0.3716  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0007  0.2500  1.0
]