data_TeIr3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIr3Rh
_chemical_formula_sum   'Te1 Ir3 Rh1'
_cell_volume   111.39
_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
  Te  Te4  1  0.41  0.41  0.41  1.0
  Ir  Ir1  1  0.41  0.0  0.41  1.0
  Ir  Ir2  1  0.41  0.41  0.0  1.0
  Ir  Ir3  1  0.0  0.41  0.41  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_TeIr3Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TeIr3Rh
_chemical_formula_sum   'Te3 Ir9 Rh3'
_cell_volume   334.18
_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
  Te  Te0  3  0.0  0.0  0.41  1.0
  Ir  Ir1  9  0.06  0.53  0.94  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0

Te Ir Ir Ir Rh
Te Ir Ir Ir Rh 0 3 o o o 0 1 o o o 0 2 o o o 0 4 o o o 1 4 o o o 2 4 o o o 3 4 o o o 
Ir3RhTe crystallizes in the trigonal R3m space group. Ir(1) is bonded in a distorted single-bond geometry to three equivalent Rh(1) and two equivalent Te(1) atoms. There is one shorter (2.76 Å) and two longer (3.46 Å) Ir(1)-Rh(1) bond lengths. There is one shorter (1.95 Å) and one longer (2.86 Å) Ir(1)-Te(1) bond length. Rh(1) is bonded in a 9-coordinate geometry to nine equivalent Ir(1) atoms. Te(1) is bonded to six equivalent Ir(1) atoms to form distorted corner-sharing TeIr6 octahedra. The corner-sharing octahedra are not tilted.