data_Mo2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   145.14
_cell_angle_beta   129.78
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsRu
_chemical_formula_sum   'Mo2 As1 Ru1'
_cell_volume   60.03
_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  Mo1  1  0.0  0.19  0.35  1.0
  Mo  Mo2  1  0.55  0.0  0.07  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.42  1.0

data_Mo2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.39
_cell_length_c   5.17
_cell_angle_alpha   115.11
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2AsRu
_chemical_formula_sum   'Mo2 As1 Ru1'
_cell_volume   60.03
_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  0.48  0.93  0.48  1.0
  Mo  Mo1  1  0.65  0.85  0.85  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.58  0.58  0.58  1.0

Mo Mo As Ru
Mo2RuAs crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2RuAs cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted bent 120 degrees geometry to one Ru(1) and one As(1) atom. The Mo(1)-Ru(1) bond length is 1.33 Å. The Mo(1)-As(1) bond length is 1.12 Å. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to one Ru(1) atom. The Mo(2)-Ru(1) bond length is 1.82 Å. Ru(1) is bonded in a 1-coordinate geometry to one Mo(1) and one Mo(2) atom. As(1) is bonded in a distorted single-bond geometry to one Mo(1) atom.