data_Zr2InIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   146.79
_cell_angle_beta   132.66
_cell_angle_gamma   59.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InIr
_chemical_formula_sum   'Zr2 In1 Ir1'
_cell_volume   81.86
_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
  Zr  Zr2  1  0.0  0.0  0.8  1.0
  Zr  Zr3  1  0.0  0.37  0.51  1.0
  In  In0  1  0.0  0.0  0.31  1.0
  Ir  Ir1  1  0.68  0.0  0.63  1.0

data_Zr2InIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.73
_cell_length_c   5.9
_cell_angle_alpha   113.67
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InIr
_chemical_formula_sum   'Zr2 In1 Ir1'
_cell_volume   81.86
_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
  Zr  Zr0  1  0.2  0.2  0.2  1.0
  Zr  Zr1  1  0.49  0.85  0.85  1.0
  In  In2  1  0.69  0.69  0.69  1.0
  Ir  Ir3  1  0.06  0.37  0.06  1.0

Zr Zr In Ir
ZrIrZrIn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrIn cluster and one ZrIr cluster. In the ZrIn cluster, Zr(2) is bonded in a distorted single-bond geometry to one In(1) atom. The Zr(2)-In(1) bond length is 1.35 Å. In(1) is bonded in a distorted single-bond geometry to one Zr(2) atom. In the ZrIr cluster, Zr(1) is bonded in a single-bond geometry to one Ir(1) atom. The Zr(1)-Ir(1) bond length is 1.38 Å. Ir(1) is bonded in a single-bond geometry to one Zr(1) atom.