data_YGa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   122.43
_cell_angle_beta   122.43
_cell_angle_gamma   85.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Ru
_chemical_formula_sum   'Y1 Ga2 Ru1'
_cell_volume   69.66
_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
  Ga  Ga0  1  0.0  0.25  0.71  1.0
  Ga  Ga1  1  0.25  0.0  0.71  1.0
  Ru  Ru2  1  0.0  0.0  0.43  1.0

data_YGa2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   132.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YGa2Ru
_chemical_formula_sum   'Y2 Ga4 Ru2'
_cell_volume   139.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.41  0.13  0.54  1.0
  Ru  Ru2  2  0.07  0.5  0.57  1.0

Y Ga Ga Ru