data_MoPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   130.26
_cell_angle_beta   130.26
_cell_angle_gamma   73.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPdRu2
_chemical_formula_sum   'Mo1 Pd1 Ru2'
_cell_volume   58.72
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.77  1.0
  Ru  Ru2  1  0.97  0.0  0.89  1.0
  Ru  Ru3  1  0.0  0.97  0.89  1.0

data_MoPdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   126.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoPdRu2
_chemical_formula_sum   'Mo2 Pd2 Ru4'
_cell_volume   117.44
_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
  Mo  Mo0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.1  0.01  0.09  1.0
  Pd  Pd2  2  0.23  0.0  0.23  1.0

Mo Pd Ru Ru
Mo Pd Ru Ru 0 2 - o - 0 3 o - - 1 2 - o o 1 3 o - o 2 3 + - o 