data_Cu2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeIr
_chemical_formula_sum   'Cu2 Te1 Ir1'
_cell_volume   62.49
_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
  Cu  Cu0  1  0.71  0.71  0.42  1.0
  Cu  Cu1  1  0.71  0.71  0.89  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.66  1.0

data_Cu2TeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2TeIr
_chemical_formula_sum   'Cu4 Te2 Ir2'
_cell_volume   124.99
_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
  Cu  Cu0  2  0.21  0.5  0.42  1.0
  Cu  Cu1  2  0.21  0.5  0.89  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.66  1.0

Cu Cu Te Ir
IrCu2Te crystallizes in the monoclinic Cm space group. Ir(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Te(1) atom. The Ir(1)-Cu(1) bond length is 1.86 Å. The Ir(1)-Cu(2) bond length is 1.86 Å. The Ir(1)-Te(1) bond length is 1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Te(1) atom. The Cu(1)-Te(1) bond length is 2.64 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Ir(1) and three equivalent Te(1) atoms. There is one shorter (1.50 Å) and two longer (2.70 Å) Cu(2)-Te(1) bond lengths. Te(1) is bonded in a 5-coordinate geometry to one Ir(1), one Cu(1), and three equivalent Cu(2) atoms.