data_InCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   116.73
_cell_angle_beta   116.73
_cell_angle_gamma   95.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuTe2
_chemical_formula_sum   'In1 Cu1 Te2'
_cell_volume   99.75
_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
  In  In1  1  0.0  0.0  0.44  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.69  0.72  1.0
  Te  Te3  1  0.69  0.0  0.72  1.0

data_InCuTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   7.61
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   132.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InCuTe2
_chemical_formula_sum   'In2 Cu2 Te4'
_cell_volume   199.5
_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
  In  In0  2  0.0  0.0  0.56  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.15  0.15  0.28  1.0

In Cu Te Te
CuInTe2 crystallizes in the monoclinic Cm space group. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one In(1) and two equivalent Te(1) atoms. The Cu(1)-In(1) bond length is 2.27 Å. Both Cu(1)-Te(1) bond lengths are 1.59 Å. In(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Te(1) atoms. There are two shorter (2.57 Å) and two longer (3.17 Å) In(1)-Te(1) bond lengths. Te(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent In(1) atoms.