data_ZnTeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnTeIr2
_chemical_formula_sum   'Zn1 Te1 Ir2'
_cell_volume   66.01
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.13  1.0
  Ir  Ir0  1  0.62  0.62  0.41  1.0
  Ir  Ir1  1  0.62  0.62  0.84  1.0

data_ZnTeIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnTeIr2
_chemical_formula_sum   'Zn2 Te2 Ir4'
_cell_volume   132.02
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.13  1.0
  Ir  Ir2  2  0.12  0.5  0.41  1.0
  Ir  Ir3  2  0.12  0.5  0.84  1.0

Zn Te Ir Ir
Ir2ZnTe crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to one Ir(2) and three equivalent Te(1) atoms. The Ir(1)-Ir(2) bond length is 2.70 Å. There is one shorter (2.48 Å) and two longer (2.96 Å) Ir(1)-Te(1) bond lengths. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Ir(1) and one Zn(1) atom. The Ir(2)-Zn(1) bond length is 1.99 Å. Zn(1) is bonded in a distorted single-bond geometry to one Ir(2) and one Te(1) atom. The Zn(1)-Te(1) bond length is 0.80 Å. Te(1) is bonded in a single-bond geometry to three equivalent Ir(1) and one Zn(1) atom.