data_Sb3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb3Mo
_chemical_formula_sum   'Sb3 Mo1'
_cell_volume   89.8
_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
  Sb  Sb1  1  0.71  0.71  0.57  1.0
  Sb  Sb2  1  0.0  0.0  0.84  1.0
  Sb  Sb3  1  0.71  0.71  0.12  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Sb3Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb3Mo
_chemical_formula_sum   'Sb6 Mo2'
_cell_volume   179.59
_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
  Sb  Sb0  2  0.0  0.0  0.84  1.0
  Sb  Sb1  2  0.21  0.5  0.12  1.0
  Sb  Sb2  2  0.21  0.5  0.57  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Sb Sb Sb Mo
MoSb3 is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoSb3 clusters. Mo(1) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one Sb(3) atom. The Mo(1)-Sb(2) bond length is 1.20 Å. The Mo(1)-Sb(3) bond length is 1.68 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.55 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Mo(1) and one Sb(1) atom. In the third Sb site, Sb(3) is bonded in a distorted single-bond geometry to one Mo(1) atom.