data_NiAsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   131.73
_cell_angle_beta   131.73
_cell_angle_gamma   70.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsIr2
_chemical_formula_sum   'Ni1 As1 Ir2'
_cell_volume   56.16
_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  Ni3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.92  0.0  0.91  1.0
  Ir  Ir1  1  0.0  0.0  0.82  1.0
  Ir  Ir2  1  0.0  0.92  0.91  1.0

data_NiAsIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.69
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAsIr2
_chemical_formula_sum   'Ni1 As1 Ir2'
_cell_volume   56.16
_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  Ni0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.09  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.92  0.0  1.0
  Ir  Ir3  1  0.18  0.0  0.18  1.0

Ni As Ir Ir
Ir2NiAs is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir2NiAs cluster. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one Ir(2) and one As(1) atom. The Ir(1)-Ir(2) bond length is 0.74 Å. The Ir(1)-As(1) bond length is 0.74 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ir(1) and one Ni(1) atom. The Ir(2)-Ni(1) bond length is 0.33 Å. Ni(1) is bonded in an L-shaped geometry to one Ir(2) and one As(1) atom. The Ni(1)-As(1) bond length is 0.33 Å. As(1) is bonded in a single-bond geometry to one Ir(1) and one Ni(1) atom.