data_InIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   147.08
_cell_angle_beta   125.67
_cell_angle_gamma   65.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrCl2
_chemical_formula_sum   'In1 Ir1 Cl2'
_cell_volume   99.49
_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  In2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.15  1.0
  Cl  Cl0  1  0.73  0.0  0.54  1.0
  Cl  Cl1  1  0.0  0.79  0.61  1.0

data_InIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.58
_cell_length_c   6.11
_cell_angle_alpha   117.16
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIrCl2
_chemical_formula_sum   'In1 Ir1 Cl2'
_cell_volume   99.49
_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  0.0  1.0
  Ir  Ir1  1  0.85  0.85  0.85  1.0
  Cl  Cl2  1  0.19  0.46  0.19  1.0
  Cl  Cl3  1  0.39  0.18  0.18  1.0

In Ir Cl Cl
IrInCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrInCl2 cluster. Ir(1) is bonded in a single-bond geometry to one In(1) atom. The Ir(1)-In(1) bond length is 0.93 Å. In(1) is bonded in a distorted bent 150 degrees geometry to one Ir(1), one Cl(1), and one Cl(2) atom. The In(1)-Cl(1) bond length is 2.28 Å. The In(1)-Cl(2) bond length is 1.46 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one In(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.70 Å. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one In(1) and one Cl(1) atom.