data_CoCuIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   4.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuIr
_chemical_formula_sum   'Co1 Cu1 Ir1'
_cell_volume   45.25
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.83  0.83  0.83  1.0
  Ir  Ir2  1  0.41  0.41  0.41  1.0

data_CoCuIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoCuIr
_chemical_formula_sum   'Co3 Cu3 Ir3'
_cell_volume   135.74
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  3  0.0  0.0  0.17  1.0
  Ir  Ir2  3  0.0  0.0  0.59  1.0

Co Cu Ir
IrCoCu crystallizes in the trigonal R3m space group. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Cu(1) atoms. All Ir(1)-Co(1) bond lengths are 2.44 Å. All Ir(1)-Cu(1) bond lengths are 2.44 Å. Co(1) is bonded to three equivalent Ir(1) and one Cu(1) atom to form distorted CoCuIr3 tetrahedra that share corners with three equivalent Cu(1)CoIr3 tetrahedra, corners with six equivalent Co(1)CuIr3 tetrahedra, and edges with three equivalent Cu(1)CoIr3 tetrahedra. The Co(1)-Cu(1) bond length is 1.68 Å. Cu(1) is bonded to three equivalent Ir(1) and one Co(1) atom to form distorted CuCoIr3 tetrahedra that share corners with three equivalent Co(1)CuIr3 tetrahedra, corners with six equivalent Cu(1)CoIr3 tetrahedra, and edges with three equivalent Co(1)CuIr3 tetrahedra.