data_In2SbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SbMo
_chemical_formula_sum   'In2 Sb1 Mo1'
_cell_volume   89.07
_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  0.93  0.0  0.32  1.0
  In  In1  1  0.93  0.0  0.07  1.0
  Sb  Sb3  1  0.0  0.0  0.7  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_In2SbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SbMo
_chemical_formula_sum   'In2 Sb1 Mo1'
_cell_volume   89.07
_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  0.93  0.0  0.07  1.0
  In  In1  1  0.93  0.0  0.32  1.0
  Sb  Sb2  1  0.0  0.0  0.7  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

In In Sb Mo
MoIn2Sb crystallizes in the triclinic P1 space group. Mo(1) is bonded in a single-bond geometry to one In(2) and one Sb(1) atom. The Mo(1)-In(2) bond length is 0.66 Å. The Mo(1)-Sb(1) bond length is 2.86 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one In(2), four equivalent In(1), and one Sb(1) atom to form distorted InIn5Sb octahedra that share corners with four equivalent In(1)In5Sb octahedra, edges with four equivalent In(1)In5Sb octahedra, and edges with four equivalent Sb(1)InSb4Mo octahedra. The corner-sharing octahedra are not tilted. The In(1)-In(2) bond length is 2.42 Å. All In(1)-In(1) bond lengths are 3.12 Å. The In(1)-Sb(1) bond length is 3.49 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Mo(1) and one In(1) atom. Sb(1) is bonded to one Mo(1), one In(1), and four equivalent Sb(1) atoms to form distorted SbInSb4Mo octahedra that share corners with four equivalent Sb(1)InSb4Mo octahedra, edges with four equivalent In(1)In5Sb octahedra, and edges with four equivalent Sb(1)InSb4Mo octahedra. The corner-sharing octahedra are not tilted. All Sb(1)-Sb(1) bond lengths are 3.12 Å.