data_Y2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   26.88
_cell_angle_beta   26.88
_cell_angle_gamma   26.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2PdRu
_chemical_formula_sum   'Y2 Pd1 Ru1'
_cell_volume   90.9
_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  Y2  1  0.0  0.0  0.83  1.0
  Y  Y3  1  0.0  0.0  0.18  1.0
  Pd  Pd0  1  0.0  0.0  0.5  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Y2PdRu
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.41
_cell_length_b   3.7
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Y2PdRu
_chemical_formula_sum   'Y4 Pd2 Ru2'
_cell_volume   181.81
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  -0.0  0.0  0.32  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.0  0.0  0.5  1.0

Y Y Pd Ru
Y Y Pd Ru 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o o 