data_TlNiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiIr2
_chemical_formula_sum   'Tl1 Ni1 Ir2'
_cell_volume   62.51
_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
  Tl  Tl3  1  0.83  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.42  0.11  0.46  1.0
  Ir  Ir1  1  0.42  0.89  0.46  1.0

data_TlNiIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   106.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiIr2
_chemical_formula_sum   'Tl1 Ni1 Ir2'
_cell_volume   62.51
_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
  Tl  Tl0  1  0.0  0.83  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.46  0.42  0.11  1.0
  Ir  Ir3  1  0.46  0.42  0.89  1.0

Tl Ni Ir Ir
(Ir)2NiTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir cluster and one NiTl cluster. In the Ir cluster, there are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(2) atom. The Ir(1)-Ir(2) bond length is 1.06 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Ir(1) atom. In the NiTl cluster, Ni(1) is bonded in a single-bond geometry to one Tl(1) atom. The Ni(1)-Tl(1) bond length is 0.80 Å. Tl(1) is bonded in a distorted single-bond geometry to one Ni(1) atom.