data_SiTeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTeIr
_chemical_formula_sum   'Si1 Te1 Ir1'
_cell_volume   61.2
_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
  Si  Si1  1  0.0  0.0  0.93  1.0
  Te  Te2  1  0.0  0.3  0.25  1.0
  Ir  Ir0  1  0.99  0.15  0.28  1.0

data_SiTeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   6.89
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiTeIr
_chemical_formula_sum   'Si2 Te2 Ir2'
_cell_volume   122.39
_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
  Si  Si0  2  0.0  0.0  0.93  1.0
  Te  Te1  2  0.3  0.0  0.25  1.0
  Ir  Ir2  2  0.15  0.0  0.28  1.0

Si Te Ir
Si Te Ir 0 1 o o + 0 2 - o + 1 2 - o o 
IrSiTe is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one IrSiTe cluster. Ir(1) is bonded in a 1-coordinate geometry to one Si(1) and one Te(1) atom. The Ir(1)-Si(1) bond length is 1.69 Å. The Ir(1)-Te(1) bond length is 0.59 Å. Si(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. Te(1) is bonded in a single-bond geometry to one Ir(1) atom.