data_TiCuTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti1 Cu1 Te2'
_cell_volume   81.38
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.4  0.4  0.0  1.0
  Te  Te1  1  0.4  0.0  0.77  1.0
  Te  Te2  1  0.0  0.4  0.77  1.0

data_TiCuTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCuTe2
_chemical_formula_sum   'Ti2 Cu2 Te4'
_cell_volume   162.76
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.4  0.0  -0.0  1.0
  Te  Te2  4  0.2  0.2  0.77  1.0

Ti Cu Te Te
TiCuTe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiCuTe2 clusters. Ti(1) is bonded in a 2-coordinate geometry to two equivalent Te(1) atoms. Both Ti(1)-Te(1) bond lengths are 2.07 Å. Cu(1) is bonded in a 2-coordinate geometry to two equivalent Te(1) atoms. Both Cu(1)-Te(1) bond lengths are 2.07 Å. Te(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Cu(1) atom.