data_MoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.5
_cell_angle_alpha   103.46
_cell_angle_beta   103.46
_cell_angle_gamma   30.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu2
_chemical_formula_sum   'Mo2 Ru4'
_cell_volume   87.03
_cell_formula_units_Z   2
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  0.42  0.0  0.27  1.0
  Mo  Mo1  1  0.17  0.0  0.12  1.0
  Ru  Ru2  1  0.45  0.0  0.76  1.0
  Ru  Ru3  1  0.59  0.0  0.86  1.0
  Ru  Ru4  1  0.28  0.0  0.21  1.0
  Ru  Ru5  1  0.76  0.0  0.95  1.0

data_MoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.19
_cell_length_c   6.5
_cell_angle_alpha   103.46
_cell_angle_beta   90.0
_cell_angle_gamma   105.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRu2
_chemical_formula_sum   'Mo2 Ru4'
_cell_volume   87.03
_cell_formula_units_Z   2
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  0.58  0.73  1.0
  Mo  Mo1  1  0.0  0.83  0.88  1.0
  Ru  Ru2  1  0.0  0.24  0.05  1.0
  Ru  Ru3  1  0.0  0.41  0.14  1.0
  Ru  Ru4  1  0.0  0.55  0.24  1.0
  Ru  Ru5  1  0.0  0.72  0.79  1.0

Mo Mo Ru Ru Ru Ru
Mo Mo Ru Ru Ru Ru 0 4 o o o 1 4 o o o 2 3 o o o 3 5 o o o 
MoRu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoRu2 cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Ru(3) atom. The Mo(1)-Ru(3) bond length is 0.71 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Ru(3) and one Ru(4) atom. The Mo(2)-Ru(3) bond length is 0.72 Å. The Mo(2)-Ru(4) bond length is 2.19 Å. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Ru(2) atom. The Ru(1)-Ru(2) bond length is 0.84 Å. In the second Ru site, Ru(2) is bonded in a linear geometry to one Ru(1) and one Ru(4) atom. The Ru(2)-Ru(4) bond length is 0.93 Å. In the third Ru site, Ru(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(2) atom. In the fourth Ru site, Ru(4) is bonded in a distorted linear geometry to one Mo(2) and one Ru(2) atom.