data_Ir4PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir4PdRh
_chemical_formula_sum   'Ir4 Pd1 Rh1'
_cell_volume   96.04
_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
  Ir  Ir0  1  0.54  0.54  0.73  1.0
  Ir  Ir1  1  0.54  0.73  0.54  1.0
  Ir  Ir2  1  0.73  0.54  0.54  1.0
  Ir  Ir3  1  0.73  0.73  0.73  1.0
  Pd  Pd4  1  0.45  0.45  0.45  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

data_Ir4PdRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ir4PdRh
_chemical_formula_sum   'Ir12 Pd3 Rh3'
_cell_volume   288.12
_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
  Ir  Ir0  9  0.06  0.12  0.4  1.0
  Ir  Ir1  3  0.0  0.0  0.27  1.0
  Pd  Pd2  3  0.0  0.0  0.55  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Ir Ir Ir Ir Pd Rh
Ir4RhPd crystallizes in the trigonal R3m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one Ir(2), two equivalent Ir(1), two equivalent Rh(1), and two equivalent Pd(1) atoms. The Ir(1)-Ir(2) bond length is 1.61 Å. Both Ir(1)-Ir(1) bond lengths are 0.93 Å. Both Ir(1)-Rh(1) bond lengths are 2.85 Å. There is one shorter (1.99 Å) and one longer (3.33 Å) Ir(1)-Pd(1) bond length. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to three equivalent Ir(1), four equivalent Rh(1), and three equivalent Pd(1) atoms. There are three shorter (3.06 Å) and one longer (3.46 Å) Ir(2)-Rh(1) bond length. All Ir(2)-Pd(1) bond lengths are 3.06 Å. Rh(1) is bonded in a 13-coordinate geometry to four equivalent Ir(2), six equivalent Ir(1), and three equivalent Pd(1) atoms. All Rh(1)-Pd(1) bond lengths are 3.32 Å. Pd(1) is bonded in a 12-coordinate geometry to three equivalent Ir(2), six equivalent Ir(1), and three equivalent Rh(1) atoms.