data_CuIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   149.87
_cell_angle_beta   125.33
_cell_angle_gamma   63.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr2Cl
_chemical_formula_sum   'Cu1 Ir2 Cl1'
_cell_volume   59.57
_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
  Cu  Cu1  1  0.0  0.0  0.48  1.0
  Ir  Ir2  1  0.37  0.0  0.21  1.0
  Ir  Ir3  1  0.0  0.42  0.28  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CuIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.85
_cell_length_c   5.28
_cell_angle_alpha   117.33
_cell_angle_beta   105.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIr2Cl
_chemical_formula_sum   'Cu1 Ir2 Cl1'
_cell_volume   59.57
_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
  Cu  Cu0  1  0.52  0.52  0.52  1.0
  Ir  Ir1  1  0.17  0.79  0.17  1.0
  Ir  Ir2  1  0.72  0.15  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cu Ir Ir Cl
Ir2CuCl crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Cu(1) and one Cl(1) atom. The Ir(1)-Cu(1) bond length is 2.74 Å. The Ir(1)-Cl(1) bond length is 1.60 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to two equivalent Cu(1) and two equivalent Cl(1) atoms. There is one shorter (2.18 Å) and one longer (2.52 Å) Ir(2)-Cu(1) bond length. There is one shorter (1.21 Å) and one longer (1.93 Å) Ir(2)-Cl(1) bond length. Cu(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Cl(1) atom. The Cu(1)-Cl(1) bond length is 2.55 Å. Cl(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Cu(1) atom.