data_Ir2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2Rh
_chemical_formula_sum   'Ir4 Rh2'
_cell_volume   94.73
_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  0.52  0.71  0.71  1.0
  Ir  Ir1  1  0.71  0.52  0.71  1.0
  Ir  Ir2  1  0.71  0.71  0.52  1.0
  Ir  Ir3  1  0.52  0.52  0.52  1.0
  Rh  Rh4  1  0.81  0.81  0.81  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

data_Ir2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ir2Rh
_chemical_formula_sum   'Ir12 Rh6'
_cell_volume   284.2
_cell_formula_units_Z   6
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  0.13  0.06  0.35  1.0
  Ir  Ir1  3  0.0  0.0  0.48  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.19  1.0

Ir Ir Ir Ir Rh Rh
Ir Ir Ir Ir Rh Rh 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 5 o + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o + 2 3 o o o 2 4 o o o 2 5 + + o 4 5 + + + 
Ir2Rh crystallizes in the trigonal R3m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 5-coordinate geometry to one Ir(2), two equivalent Ir(1), one Rh(1), and one Rh(2) atom. The Ir(1)-Ir(2) bond length is 1.69 Å. Both Ir(1)-Ir(1) bond lengths are 0.98 Å. The Ir(1)-Rh(1) bond length is 2.07 Å. The Ir(1)-Rh(2) bond length is 2.40 Å. In the second Ir site, Ir(2) is bonded in a 6-coordinate geometry to three equivalent Ir(1) and three equivalent Rh(1) atoms. All Ir(2)-Rh(1) bond lengths are 3.01 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 7-coordinate geometry to three equivalent Ir(1), three equivalent Ir(2), and one Rh(2) atom. The Rh(1)-Rh(2) bond length is 2.39 Å. In the second Rh site, Rh(2) is bonded in a trigonal pyramidal geometry to three equivalent Ir(1) and one Rh(1) atom.