data_CdSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSbIr2
_chemical_formula_sum   'Cd1 Sb1 Ir2'
_cell_volume   71.92
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.95  0.95  0.95  1.0
  Ir  Ir1  1  0.3  0.3  0.3  1.0
  Ir  Ir2  1  0.65  0.65  0.65  1.0

data_CdSbIr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSbIr2
_chemical_formula_sum   'Cd3 Sb3 Ir6'
_cell_volume   215.76
_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
  Cd  Cd0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.05  1.0
  Ir  Ir2  3  0.0  0.0  0.35  1.0
  Ir  Ir3  3  0.0  0.0  0.7  1.0

Cd Sb Ir Ir
Cd Sb Ir Ir 0 1 - - - 0 2 o o - 0 2 o - o 0 2 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 + + o 1 2 + o + 1 2 o + + 1 3 + o o 1 3 o + o 1 3 o o + 2 3 - o o 2 3 o - o 2 3 o o - 
Ir2CdSb crystallizes in the trigonal R3m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted q6 geometry to three equivalent Ir(2), four equivalent Cd(1), and three equivalent Sb(1) atoms. All Ir(1)-Ir(2) bond lengths are 2.70 Å. There are three shorter (2.72 Å) and one longer (3.44 Å) Ir(1)-Cd(1) bond length. All Ir(1)-Sb(1) bond lengths are 2.70 Å. In the second Ir site, Ir(2) is bonded in a distorted q6 geometry to three equivalent Ir(1); three equivalent Cd(1); and four Sb(1,1) atoms. All Ir(2)-Cd(1) bond lengths are 2.70 Å. There are three shorter (2.72 Å) and one longer (3.44 Å) Ir(2)-Sb(1,1) bond length. Cd(1) is bonded in a single-bond geometry to three equivalent Ir(2), four equivalent Ir(1), and one Sb(1) atom. The Cd(1)-Sb(1) bond length is 0.56 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to three equivalent Ir(1), four equivalent Ir(2), and one Cd(1) atom. All Sb(1)-Ir(1) bond lengths are 2.70 Å. The Sb(1)-Cd(1) bond length is 0.56 Å. In the second Sb site, Sb(1) is bonded in a single-bond geometry to three equivalent Ir(1), four equivalent Ir(2), and one Cd(1) atom.