data_Ir2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.85
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2C
_chemical_formula_sum   'Ir4 C2'
_cell_volume   74.02
_cell_formula_units_Z   2
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  Ir2  1  0.64  0.62  0.0  1.0
  Ir  Ir3  1  0.11  0.23  0.0  1.0
  Ir  Ir4  1  0.73  0.19  0.61  1.0
  Ir  Ir5  1  0.02  0.66  0.61  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.38  0.43  0.61  1.0

data_Ir2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.75
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2C
_chemical_formula_sum   'Ir4 C2'
_cell_volume   74.02
_cell_formula_units_Z   2
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  0.0  0.64  0.62  1.0
  Ir  Ir1  1  0.0  0.11  0.23  1.0
  Ir  Ir2  1  0.61  0.02  0.66  1.0
  Ir  Ir3  1  0.61  0.73  0.19  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.61  0.38  0.43  1.0

Ir Ir Ir Ir C C
Ir Ir Ir Ir C C 0 5 o o - 0 5 o o o 0 2 o o - 0 3 + o - 0 3 + o o 0 4 + + o 1 4 o o o 1 2 - o - 1 3 o o - 1 5 o o - 2 5 o o o 2 4 + o o 2 4 + o + 3 4 o + o 3 4 o + + 3 5 o o o 
Ir2C crystallizes in the triclinic P1 space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 1-coordinate geometry to two equivalent C(2) atoms. There is one shorter (2.03 Å) and one longer (2.51 Å) Ir(1)-C(2) bond length. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one C(1) and two equivalent C(2) atoms. The Ir(2)-C(1) bond length is 1.24 Å. There is one shorter (2.03 Å) and one longer (2.51 Å) Ir(2)-C(2) bond length. In the third Ir site, Ir(3) is bonded in a 2-coordinate geometry to one C(1) and one C(2) atom. The Ir(3)-C(1) bond length is 2.03 Å. The Ir(3)-C(2) bond length is 2.04 Å. In the fourth Ir site, Ir(4) is bonded in a 2-coordinate geometry to one C(1) and one C(2) atom. The Ir(4)-C(1) bond length is 2.08 Å. The Ir(4)-C(2) bond length is 2.04 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 1-coordinate geometry to one Ir(2), one Ir(3), and one Ir(4) atom. In the second C site, C(2) is bonded to one Ir(3), one Ir(4), two equivalent Ir(1), and two equivalent Ir(2) atoms to form distorted edge-sharing CIr6 octahedra.