data_CuIrRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuIrRh4
_chemical_formula_sum   'Cu1 Ir1 Rh4'
_cell_volume   91.41
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.36  0.36  0.36  1.0
  Rh  Rh2  1  0.47  0.68  0.47  1.0
  Rh  Rh3  1  0.68  0.47  0.47  1.0
  Rh  Rh4  1  0.68  0.68  0.68  1.0
  Rh  Rh5  1  0.47  0.47  0.68  1.0

data_CuIrRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuIrRh4
_chemical_formula_sum   'Cu3 Ir3 Rh12'
_cell_volume   274.24
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.64  1.0
  Rh  Rh2  9  0.07  0.14  0.46  1.0
  Rh  Rh3  3  0.0  0.0  0.32  1.0

Cu Ir Rh Rh Rh Rh
IrRh4Cu crystallizes in the trigonal R3m space group. Ir(1) is bonded to three equivalent Rh(2), six equivalent Rh(1), and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing IrCu3Rh9 cuboctahedra. All Ir(1)-Rh(2) bond lengths are 2.93 Å. There are three shorter (2.28 Å) and three longer (3.01 Å) Ir(1)-Rh(1) bond lengths. All Ir(1)-Cu(1) bond lengths are 2.94 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 9-coordinate geometry to three equivalent Ir(1), three equivalent Rh(1), and three equivalent Cu(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.83 Å. All Rh(2)-Cu(1) bond lengths are 2.92 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Ir(1), one Rh(2), two equivalent Rh(1), and three equivalent Cu(1) atoms. Both Rh(1)-Rh(1) bond lengths are 1.06 Å. There are two shorter (3.09 Å) and one longer (3.45 Å) Rh(1)-Cu(1) bond length. Cu(1) is bonded in a 15-coordinate geometry to three equivalent Ir(1), three equivalent Rh(2), and nine equivalent Rh(1) atoms.