data_In2Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58
_cell_length_b   11.58
_cell_length_c   11.58
_cell_angle_alpha   15.22
_cell_angle_beta   15.22
_cell_angle_gamma   15.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2Mo3
_chemical_formula_sum   'In2 Mo3'
_cell_volume   93.17
_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
  In  In0  1  0.0  0.0  0.78  1.0
  In  In1  1  0.0  0.0  0.54  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.69  1.0
  Mo  Mo4  1  0.0  0.0  0.63  1.0

data_In2Mo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.07
_cell_length_c   11.58
_cell_angle_alpha   90.0
_cell_angle_beta   98.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2Mo3
_chemical_formula_sum   'In4 Mo6'
_cell_volume   186.35
_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
  In  In0  2  0.0  0.0  0.22  1.0
  In  In1  2  0.0  0.0  0.46  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.31  1.0
  Mo  Mo4  2  0.0  0.0  0.37  1.0

In In Mo Mo Mo
Mo3In2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo3In2 clusters. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one In(1) atom. The Mo(1)-In(1) bond length is 2.55 Å. In the second Mo site, Mo(2) is bonded in a linear geometry to one Mo(3) and one In(1) atom. The Mo(2)-Mo(3) bond length is 0.75 Å. The Mo(2)-In(1) bond length is 1.02 Å. In the third Mo site, Mo(3) is bonded in a linear geometry to one Mo(2) and one In(2) atom. The Mo(3)-In(2) bond length is 1.02 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Mo(1) and one Mo(2) atom. In the second In site, In(2) is bonded in a single-bond geometry to one Mo(3) atom.