data_CrIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr5
_chemical_formula_sum   'Cr1 Ir5'
_cell_volume   84.57
_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  0.92  0.14  0.92  1.0
  Ir  Ir2  1  0.92  0.16  0.0  1.0
  Ir  Ir3  1  0.92  0.0  0.92  1.0
  Ir  Ir4  1  0.92  0.84  0.0  1.0
  Ir  Ir5  1  0.92  0.86  0.92  1.0

data_CrIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.84
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr5
_chemical_formula_sum   'Cr1 Ir5'
_cell_volume   84.57
_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  0.08  0.08  1.0
  Ir  Ir2  1  0.14  0.08  0.23  1.0
  Ir  Ir3  1  0.16  0.0  0.24  1.0
  Ir  Ir4  1  0.84  0.0  0.93  1.0
  Ir  Ir5  1  0.86  0.08  0.94  1.0

Cr Ir Ir Ir Ir Ir
CrIr5 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrIr5 cluster. Cr(1) is bonded in a distorted single-bond geometry to one Ir(3), one Ir(4), and one Ir(5) atom. The Cr(1)-Ir(3) bond length is 0.59 Å. The Cr(1)-Ir(4) bond length is 0.62 Å. The Cr(1)-Ir(5) bond length is 0.62 Å. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a water-like geometry to one Ir(2) and one Ir(3) atom. The Ir(1)-Ir(2) bond length is 0.31 Å. The Ir(1)-Ir(3) bond length is 0.86 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Ir(1) atom. In the third Ir site, Ir(3) is bonded in a single-bond geometry to one Cr(1) and one Ir(1) atom. In the fourth Ir site, Ir(4) is bonded in a distorted L-shaped geometry to one Cr(1) and one Ir(5) atom. The Ir(4)-Ir(5) bond length is 0.31 Å. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to one Cr(1) and one Ir(4) atom.