data_SbTeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeIr2
_chemical_formula_sum   'Sb1 Te1 Ir2'
_cell_volume   86.45
_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
  Sb  Sb2  1  0.0  0.0  0.32  1.0
  Te  Te3  1  0.65  0.65  0.68  1.0
  Ir  Ir0  1  0.0  0.0  0.03  1.0
  Ir  Ir1  1  0.65  0.65  0.91  1.0

data_SbTeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbTeIr2
_chemical_formula_sum   'Sb2 Te2 Ir4'
_cell_volume   172.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sb  Sb0  2  0.0  0.0  0.32  1.0
  Te  Te1  2  0.15  0.5  0.68  1.0
  Ir  Ir2  2  0.0  0.0  0.03  1.0
  Ir  Ir3  2  0.15  0.5  0.91  1.0

Sb Te Ir Ir
Sb Te Ir Ir 0 2 o o o 1 3 o o o 2 3 - - - 
Ir2SbTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ir2SbTe clusters. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one Ir(2) and one Sb(1) atom. The Ir(1)-Ir(2) bond length is 1.91 Å. The Ir(1)-Sb(1) bond length is 2.27 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one Ir(1) and one Te(1) atom. The Ir(2)-Te(1) bond length is 1.82 Å. Sb(1) is bonded in a single-bond geometry to one Ir(1) atom. Te(1) is bonded in a single-bond geometry to one Ir(2) atom.