data_YGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.16
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaRu2
_chemical_formula_sum   'Y1 Ga1 Ru2'
_cell_volume   68.86
_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  0.68  0.0  0.46  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.08  0.46  1.0
  Ru  Ru2  1  0.68  0.08  0.0  1.0

data_YGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.16
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaRu2
_chemical_formula_sum   'Y1 Ga1 Ru2'
_cell_volume   68.86
_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  0.68  0.0  0.46  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.08  0.46  1.0
  Ru  Ru3  1  0.68  0.08  0.0  1.0

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