data_YPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPd2Ru
_chemical_formula_sum   'Y1 Pd2 Ru1'
_cell_volume   71.63
_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  0.55  1.0
  Pd  Pd0  1  0.72  0.72  0.1  1.0
  Pd  Pd1  1  0.0  0.0  0.64  1.0
  Ru  Ru2  1  0.72  0.72  0.82  1.0

data_YPd2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YPd2Ru
_chemical_formula_sum   'Y2 Pd4 Ru2'
_cell_volume   143.26
_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  0.55  1.0
  Pd  Pd1  2  0.0  0.0  0.64  1.0
  Pd  Pd2  2  0.22  0.5  0.1  1.0
  Ru  Ru3  2  0.22  0.5  0.82  1.0

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