data_IrC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrC
_chemical_formula_sum   'Ir2 C2'
_cell_volume   42.13
_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  0.46  0.84  0.3  1.0
  Ir  Ir3  1  0.0  0.68  0.43  1.0
  C  C0  1  0.0  0.0  0.87  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_IrC
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrC
_chemical_formula_sum   'Ir2 C2'
_cell_volume   42.13
_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  0.68  0.43  1.0
  Ir  Ir1  1  0.46  0.84  0.3  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.0  0.87  1.0

Ir Ir C C
Ir Ir C C 0 1 o o o 2 3 o o + 
IrC crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 6-coordinate geometry to three equivalent Ir(2) and three equivalent C(2) atoms. There are a spread of Ir(1)-Ir(2) bond distances ranging from 1.40-2.28 Å. There are a spread of Ir(1)-C(2) bond distances ranging from 2.23-2.73 Å. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to three equivalent Ir(1) and one C(1) atom. The Ir(2)-C(1) bond length is 2.65 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Ir(2) and one C(2) atom. The C(1)-C(2) bond length is 0.76 Å. In the second C site, C(2) is bonded in a 1-coordinate geometry to three equivalent Ir(1) and one C(1) atom.