data_InMoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.85
_cell_angle_alpha   99.57
_cell_angle_beta   99.57
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMoIr2
_chemical_formula_sum   'In1 Mo1 Ir2'
_cell_volume   64.78
_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  0.75  0.0  0.71  1.0
  Mo  Mo3  1  0.24  0.0  0.2  1.0
  Ir  Ir1  1  0.23  0.0  0.69  1.0
  Ir  Ir2  1  0.84  0.0  0.34  1.0

data_InMoIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.85
_cell_length_c   4.93
_cell_angle_alpha   99.57
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InMoIr2
_chemical_formula_sum   'In1 Mo1 Ir2'
_cell_volume   64.78
_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  0.71  0.75  1.0
  Mo  Mo1  1  0.0  0.2  0.24  1.0
  Ir  Ir2  1  0.0  0.34  0.84  1.0
  Ir  Ir3  1  0.0  0.69  0.23  1.0

In Mo Ir Ir
In Mo Ir Ir 0 3 o o o 0 2 + o o 0 2 o o o 1 2 o o - 1 2 o o o 1 3 - o o 2 3 - o o 2 2 + - o 
MoIr2In crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to one Ir(2) and two equivalent Ir(1) atoms. The Mo(1)-Ir(2) bond length is 2.23 Å. There is one shorter (2.41 Å) and one longer (2.44 Å) Mo(1)-Ir(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to two equivalent Mo(1), one Ir(2), two equivalent Ir(1), and four equivalent In(1) atoms. The Ir(1)-Ir(2) bond length is 2.34 Å. Both Ir(1)-Ir(1) bond lengths are 2.87 Å. There are a spread of Ir(1)-In(1) bond distances ranging from 2.37-3.24 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Mo(1), one Ir(1), and one In(1) atom. The Ir(2)-In(1) bond length is 1.92 Å. In(1) is bonded in a 1-coordinate geometry to one Ir(2) and four equivalent Ir(1) atoms.