data_NaIrRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrRh4
_chemical_formula_sum   'Na1 Ir1 Rh4'
_cell_volume   95.59
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.44  0.44  0.44  1.0
  Rh  Rh2  1  0.54  0.54  0.72  1.0
  Rh  Rh3  1  0.54  0.72  0.54  1.0
  Rh  Rh4  1  0.72  0.54  0.54  1.0
  Rh  Rh5  1  0.72  0.72  0.72  1.0

data_NaIrRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaIrRh4
_chemical_formula_sum   'Na3 Ir3 Rh12'
_cell_volume   286.78
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Ir  Ir1  3  0.0  0.0  0.56  1.0
  Rh  Rh2  9  0.06  0.12  0.4  1.0
  Rh  Rh3  3  0.0  0.0  0.28  1.0

Na Ir Rh Rh Rh Rh
NaIrRh4 crystallizes in the trigonal R3m space group. Na(1) is bonded in a 13-coordinate geometry to three equivalent Ir(1), four equivalent Rh(2), and six equivalent Rh(1) atoms. All Na(1)-Ir(1) bond lengths are 3.27 Å. There are three shorter (3.04 Å) and one longer (3.50 Å) Na(1)-Rh(2) bond length. All Na(1)-Rh(1) bond lengths are 2.86 Å. Ir(1) is bonded in a 12-coordinate geometry to three equivalent Na(1), three equivalent Rh(2), and six equivalent Rh(1) atoms. All Ir(1)-Rh(2) bond lengths are 3.04 Å. There are three shorter (2.02 Å) and three longer (3.30 Å) Ir(1)-Rh(1) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Ir(1), and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 1.64 Å. In the second Rh site, Rh(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), two equivalent Ir(1), one Rh(2), and two equivalent Rh(1) atoms. Both Rh(1)-Rh(1) bond lengths are 0.95 Å.