data_NiIrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   151.57
_cell_angle_beta   151.57
_cell_angle_gamma   40.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiIrCl
_chemical_formula_sum   'Ni1 Ir1 Cl1'
_cell_volume   45.53
_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
  Ni  Ni2  1  0.0  0.0  0.4  1.0
  Ir  Ir1  1  0.0  0.0  0.47  1.0
  Cl  Cl0  1  0.0  0.0  0.12  1.0

data_NiIrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   110.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiIrCl
_chemical_formula_sum   'Ni2 Ir2 Cl2'
_cell_volume   91.07
_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
  Ni  Ni0  2  0.4  0.0  0.4  1.0
  Ir  Ir1  2  0.47  0.0  0.47  1.0
  Cl  Cl2  2  0.12  0.0  0.12  1.0

Ni Ir Cl
IrNiCl is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrNiCl clusters. Ir(1) is bonded in a single-bond geometry to one Ni(1) atom. The Ir(1)-Ni(1) bond length is 0.39 Å. Ni(1) is bonded in a linear geometry to one Ir(1) and one Cl(1) atom. The Ni(1)-Cl(1) bond length is 1.70 Å. Cl(1) is bonded in a single-bond geometry to one Ni(1) atom.