data_In5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   19.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In5Mo
_chemical_formula_sum   'In5 Mo1'
_cell_volume   140.2
_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  0.5  0.0  0.86  1.0
  In  In1  1  0.5  0.0  0.84  1.0
  In  In2  1  0.5  0.0  0.26  1.0
  In  In3  1  0.0  0.0  0.67  1.0
  In  In4  1  0.0  0.0  0.35  1.0
  Mo  Mo5  1  0.0  0.0  0.97  1.0

data_In5Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.11
_cell_length_b   5.01
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   In5Mo
_chemical_formula_sum   'In5 Mo1'
_cell_volume   140.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.14  0.5  0.14  1.0
  In  In1  1  0.16  0.5  0.16  1.0
  In  In2  1  0.33  0.0  0.33  1.0
  In  In3  1  0.65  0.0  0.65  1.0
  In  In4  1  0.74  0.5  0.74  1.0
  Mo  Mo5  1  0.03  0.0  0.03  1.0

In In In In In Mo
In In In In In Mo 0 1 o o o 0 3 + o o 0 3 o o o 0 5 + o o 0 5 o o o 1 3 + o o 1 3 o o o 1 5 + o o 1 5 o o o 2 4 o o o 2 4 + o o 2 2 o + - 3 3 o + - 3 4 o o o 3 5 o o o 4 4 o + - 5 5 o + - 
MoIn5 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to one In(4), one In(5), and two equivalent In(1) atoms. The Mo(1)-In(4) bond length is 2.67 Å. The Mo(1)-In(5) bond length is 3.51 Å. There is one shorter (2.66 Å) and one longer (2.70 Å) Mo(1)-In(1) bond length. There are five inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to two equivalent Mo(1) and one In(2) atom. The In(1)-In(2) bond length is 0.15 Å. In the second In site, In(2) is bonded in a single-bond geometry to one In(1) atom. In the third In site, In(3) is bonded in a 4-coordinate geometry to two equivalent In(3) and two equivalent In(5) atoms. Both In(3)-In(3) bond lengths are 3.11 Å. There is one shorter (2.61 Å) and one longer (2.65 Å) In(3)-In(5) bond length. In the fourth In site, In(4) is bonded in a distorted single-bond geometry to one Mo(1) and one In(5) atom. The In(4)-In(5) bond length is 2.95 Å. In the fifth In site, In(5) is bonded to one Mo(1), one In(4), two equivalent In(3), and two equivalent In(5) atoms to form distorted corner-sharing InIn5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Both In(5)-In(5) bond lengths are 3.11 Å.