data_Pd2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34
_cell_length_b   11.34
_cell_length_c   11.34
_cell_angle_alpha   13.82
_cell_angle_beta   13.82
_cell_angle_gamma   13.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Ru3
_chemical_formula_sum   'Pd2 Ru3'
_cell_volume   72.47
_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
  Pd  Pd0  1  0.0  0.0  0.47  1.0
  Pd  Pd1  1  0.0  0.0  0.22  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.64  1.0
  Ru  Ru4  1  0.0  0.0  0.05  1.0

data_Pd2Ru3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   97.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pd2Ru3
_chemical_formula_sum   'Pd4 Ru6'
_cell_volume   144.95
_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
  Pd  Pd0  2  -0.0  0.0  0.53  1.0
  Ru  Ru1  2  -0.0  0.0  0.0  1.0
  Pd  Pd2  2  -0.0  0.0  0.78  1.0
  Ru  Ru3  2  -0.0  0.0  0.95  1.0
  Ru  Ru4  2  -0.0  0.0  0.36  1.0

Pd Pd Ru Ru Ru