data_CrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   146.64
_cell_angle_beta   132.6
_cell_angle_gamma   59.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2
_chemical_formula_sum   'Cr1 Ir2'
_cell_volume   40.96
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.38  1.0
  Ir  Ir2  1  0.0  0.0  0.75  1.0

data_CrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   3.76
_cell_length_c   4.67
_cell_angle_alpha   113.7
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2
_chemical_formula_sum   'Cr1 Ir2'
_cell_volume   40.96
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.38  0.38  1.0
  Ir  Ir2  1  0.0  0.75  0.75  1.0

Cr Ir Ir
CrIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrIr2 cluster. Cr(1) is bonded in a distorted linear geometry to one Ir(1) and one Ir(2) atom. The Cr(1)-Ir(1) bond length is 1.78 Å. The Cr(1)-Ir(2) bond length is 1.19 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Cr(1) atom. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Cr(1) atom.