data_MoPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   17.26
_cell_angle_beta   17.26
_cell_angle_gamma   17.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPdRu2
_chemical_formula_sum   'Mo1 Pd1 Ru2'
_cell_volume   59.35
_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  0.56  1.0
  Ru  Ru2  1  0.0  0.0  0.28  1.0
  Ru  Ru3  1  0.0  0.0  0.83  1.0

data_MoPdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MoPdRu2
_chemical_formula_sum   'Mo2 Pd2 Ru4'
_cell_volume   118.71
_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  2  0.0  0.0  0.17  1.0
  Pd  Pd2  2  0.0  0.0  0.44  1.0
  Ru  Ru3  2  0.0  0.0  0.72  1.0

Mo Pd Ru Ru
Mo Pd Ru Ru 0 3 o o - 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
MoRu2Pd crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a distorted single-bond geometry to one Ru(1) and one Ru(2) atom. The Mo(1)-Ru(1) bond length is 2.59 Å. The Mo(1)-Ru(2) bond length is 1.52 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Mo(1), six equivalent Ru(1), and one Pd(1) atom to form distorted RuMoPdRu6 hexagonal bipyramids that share corners with six equivalent Ru(1)MoPdRu6 hexagonal bipyramids, edges with six equivalent Pd(1)Pd6Ru2 hexagonal bipyramids, and edges with twelve equivalent Ru(1)MoPdRu6 hexagonal bipyramids. All Ru(1)-Ru(1) bond lengths are 2.75 Å. The Ru(1)-Pd(1) bond length is 2.53 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Mo(1) and one Pd(1) atom. The Ru(2)-Pd(1) bond length is 2.53 Å. Pd(1) is bonded to one Ru(1), one Ru(2), and six equivalent Pd(1) atoms to form distorted PdPd6Ru2 hexagonal bipyramids that share corners with six equivalent Pd(1)Pd6Ru2 hexagonal bipyramids, edges with six equivalent Ru(1)MoPdRu6 hexagonal bipyramids, and edges with twelve equivalent Pd(1)Pd6Ru2 hexagonal bipyramids. All Pd(1)-Pd(1) bond lengths are 2.75 Å.