data_Sb7Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.36
_cell_length_b   8.36
_cell_length_c   8.36
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb7Mo3
_chemical_formula_sum   'Sb14 Mo6'
_cell_volume   449.38
_cell_formula_units_Z   2
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  Sb6  1  0.27  0.27  0.73  1.0
  Sb  Sb7  1  0.55  0.55  0.45  1.0
  Sb  Sb8  1  0.27  0.73  0.27  1.0
  Sb  Sb9  1  0.55  0.45  0.55  1.0
  Sb  Sb10  1  0.0  0.41  0.83  1.0
  Sb  Sb11  1  0.0  0.83  0.41  1.0
  Sb  Sb12  1  0.73  0.27  0.27  1.0
  Sb  Sb13  1  0.27  0.27  0.27  1.0
  Sb  Sb14  1  0.41  0.0  0.83  1.0
  Sb  Sb15  1  0.41  0.83  0.0  1.0
  Sb  Sb16  1  0.45  0.55  0.55  1.0
  Sb  Sb17  1  0.55  0.55  0.55  1.0
  Sb  Sb18  1  0.83  0.0  0.41  1.0
  Sb  Sb19  1  0.83  0.41  0.0  1.0
  Mo  Mo0  1  0.35  0.0  0.0  1.0
  Mo  Mo1  1  0.3  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.35  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.35  1.0
  Mo  Mo4  1  0.0  0.3  0.0  1.0
  Mo  Mo5  1  0.0  0.0  0.3  1.0

data_Sb7Mo3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.65
_cell_length_b   13.65
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sb7Mo3
_chemical_formula_sum   'Sb42 Mo18'
_cell_volume   1348.14
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.0  0.41  0.41  1.0
  Sb  Sb1  9  0.04  0.07  0.52  1.0
  Sb  Sb2  9  0.18  0.36  0.09  1.0
  Sb  Sb3  3  0.0  0.0  0.27  1.0
  Sb  Sb4  3  0.0  0.0  0.55  1.0
  Mo  Mo5  9  0.2  0.1  0.1  1.0
  Mo  Mo6  9  0.22  0.43  0.78  1.0

Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Sb Mo Mo Mo Mo Mo Mo
Mo3Sb7 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Mo3Sb7 clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Mo(2), one Sb(1), and two equivalent Sb(3) atoms. The Mo(1)-Mo(2) bond length is 0.39 Å. The Mo(1)-Sb(1) bond length is 2.71 Å. Both Mo(1)-Sb(3) bond lengths are 1.71 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Mo(1) and one Sb(4) atom. The Mo(2)-Sb(4) bond length is 2.78 Å. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one Mo(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Sb(4) and one Sb(5) atom. The Sb(2)-Sb(4) bond length is 2.22 Å. The Sb(2)-Sb(5) bond length is 0.90 Å. In the third Sb site, Sb(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Sb site, Sb(4) is bonded in a 6-coordinate geometry to three equivalent Mo(2) and three equivalent Sb(2) atoms. In the fifth Sb site, Sb(5) is bonded in a trigonal non-coplanar geometry to three equivalent Sb(2) atoms.