data_TiCu2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.05
_cell_angle_alpha   110.43
_cell_angle_beta   110.43
_cell_angle_gamma   41.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Te
_chemical_formula_sum   'Ti1 Cu2 Te1'
_cell_volume   66.38
_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  0.25  0.0  0.83  1.0
  Cu  Cu1  1  0.86  0.0  0.93  1.0
  Te  Te2  1  0.06  0.0  0.88  1.0

data_TiCu2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.05
_cell_length_c   5.15
_cell_angle_alpha   110.43
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Te
_chemical_formula_sum   'Ti1 Cu2 Te1'
_cell_volume   66.38
_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  Ti0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.83  0.25  1.0
  Cu  Cu2  1  0.0  0.93  0.86  1.0
  Te  Te3  1  0.0  0.88  0.06  1.0

Ti Cu Cu Te
Ti Cu Cu Te 0 2 - o - 0 3 o o - 1 3 o o o 
TiCu2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiCu2Te cluster. Ti(1) is bonded in a water-like geometry to one Cu(2) and one Te(1) atom. The Ti(1)-Cu(2) bond length is 0.67 Å. The Ti(1)-Te(1) bond length is 0.65 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Te(1) atom. The Cu(1)-Te(1) bond length is 1.09 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Ti(1) atom. Te(1) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Cu(1) atom.