data_SiMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiMoCl2
_chemical_formula_sum   'Si1 Mo1 Cl2'
_cell_volume   74.51
_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  0.72  1.0
  Mo  Mo2  1  0.52  0.52  0.24  1.0
  Cl  Cl0  1  0.52  0.52  0.49  1.0
  Cl  Cl1  1  0.0  0.0  0.66  1.0

data_SiMoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiMoCl2
_chemical_formula_sum   'Si2 Mo2 Cl4'
_cell_volume   149.02
_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
  Si  Si0  2  0.0  0.0  0.72  1.0
  Mo  Mo1  2  0.02  0.5  0.24  1.0
  Cl  Cl2  2  0.0  0.0  0.66  1.0
  Cl  Cl3  2  0.02  0.5  0.49  1.0

Si Mo Cl Cl
MoClSiCl is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two chlorosilicon molecules and two MoCl clusters. In each MoCl cluster, Mo(1) is bonded in a single-bond geometry to one Cl(1) atom. The Mo(1)-Cl(1) bond length is 2.04 Å. Cl(1) is bonded in a single-bond geometry to one Mo(1) atom.