data_SiMo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.48
_cell_angle_alpha   115.05
_cell_angle_beta   115.05
_cell_angle_gamma   37.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2Au
_chemical_formula_sum   'Si1 Mo2 Au1'
_cell_volume   61.86
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.48  0.0  0.92  1.0
  Mo  Mo2  1  0.06  0.0  0.09  1.0
  Au  Au0  1  0.77  0.0  0.0  1.0

data_SiMo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.48
_cell_length_c   5.04
_cell_angle_alpha   115.05
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMo2Au
_chemical_formula_sum   'Si1 Mo2 Au1'
_cell_volume   61.86
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.09  0.06  1.0
  Mo  Mo2  1  0.0  0.92  0.48  1.0
  Au  Au3  1  0.0  0.0  0.77  1.0

Si Mo Mo Au
Mo2AuSi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2AuSi cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Au(1) atom. The Mo(1)-Au(1) bond length is 1.33 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Si(1) atom. The Mo(2)-Si(1) bond length is 0.37 Å. Au(1) is bonded in a distorted linear geometry to one Mo(1) and one Si(1) atom. The Au(1)-Si(1) bond length is 1.16 Å. Si(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Au(1) atom.