data_Ir3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C4
_chemical_formula_sum   'Ir3 C4'
_cell_volume   76.88
_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
  Ir  Ir4  1  0.44  0.5  0.34  1.0
  Ir  Ir5  1  0.88  0.0  0.34  1.0
  Ir  Ir6  1  0.56  0.5  0.34  1.0
  C  C0  1  0.0  0.0  0.02  1.0
  C  C1  1  0.0  0.0  0.65  1.0
  C  C2  1  0.0  0.33  0.0  1.0
  C  C3  1  0.88  0.66  0.0  1.0

data_Ir3C4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3C4
_chemical_formula_sum   'Ir3 C4'
_cell_volume   76.88
_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
  Ir  Ir0  1  0.34  0.44  0.5  1.0
  Ir  Ir1  1  0.34  0.56  0.5  1.0
  Ir  Ir2  1  0.34  0.88  0.0  1.0
  C  C3  1  0.0  0.0  0.33  1.0
  C  C4  1  0.0  0.88  0.66  1.0
  C  C5  1  0.02  0.0  0.0  1.0
  C  C6  1  0.65  0.0  0.0  1.0

Ir Ir Ir C C C C
Ir3C4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir3C4 cluster. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Ir(3) and one C(3) atom. The Ir(1)-Ir(3) bond length is 0.68 Å. The Ir(1)-C(3) bond length is 2.40 Å. In the second Ir site, Ir(2) is bonded in a water-like geometry to one C(1), one C(2), and one C(3) atom. The Ir(2)-C(1) bond length is 1.08 Å. The Ir(2)-C(2) bond length is 1.08 Å. The Ir(2)-C(3) bond length is 1.88 Å. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one Ir(1) and one C(4) atom. The Ir(3)-C(4) bond length is 1.85 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Ir(2) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Ir(2) atom. In the third C site, C(3) is bonded in a 2-coordinate geometry to one Ir(1) and one Ir(2) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one Ir(3) atom.