data_YAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   3.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ru
_chemical_formula_sum   'Y1 Al2 Ru1'
_cell_volume   72.16
_cell_formula_units_Z   1
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  Y3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.42  0.92  0.66  1.0
  Al  Al1  1  0.42  0.08  0.66  1.0
  Ru  Ru2  1  0.84  0.0  0.0  1.0

data_YAl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   107.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ru
_chemical_formula_sum   'Y1 Al2 Ru1'
_cell_volume   72.16
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.66  0.42  0.08  1.0
  Al  Al2  1  0.66  0.42  0.92  1.0
  Ru  Ru3  1  -0.0  0.84  0.0  1.0

Y Al Al Ru
Y Al Al Ru 0 3 - o o 1 2 o + o 