data_MoRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   4.43
_cell_angle_alpha   95.65
_cell_angle_beta   95.65
_cell_angle_gamma   25.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRuCl2
_chemical_formula_sum   'Mo1 Ru1 Cl2'
_cell_volume   87.17
_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  Mo2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.37  0.0  0.2  1.0
  Cl  Cl0  1  0.37  0.0  0.51  1.0
  Cl  Cl1  1  0.36  0.0  0.9  1.0

data_MoRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.43
_cell_length_c   6.76
_cell_angle_alpha   95.65
_cell_angle_beta   102.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRuCl2
_chemical_formula_sum   'Mo1 Ru1 Cl2'
_cell_volume   87.17
_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
  Ru  Ru1  1  0.0  0.2  0.37  1.0
  Cl  Cl2  1  0.0  0.51  0.37  1.0
  Cl  Cl3  1  0.0  0.9  0.36  1.0

Mo Ru Cl Cl
MoRuCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoRuCl2 cluster. Mo(1) is bonded in a distorted single-bond geometry to one Cl(2) atom. The Mo(1)-Cl(2) bond length is 2.54 Å. Ru(1) is bonded in a linear geometry to one Cl(1) and one Cl(2) atom. The Ru(1)-Cl(1) bond length is 1.34 Å. The Ru(1)-Cl(2) bond length is 1.34 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ru(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Mo(1) and one Ru(1) atom.