data_TiBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   5.31
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Te
_chemical_formula_sum   'Ti1 Bi2 Te1'
_cell_volume   107.49
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.65  0.73  1.0
  Bi  Bi1  1  0.85  0.0  0.73  1.0
  Te  Te2  1  0.85  0.65  0.0  1.0

data_TiBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   5.31
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBi2Te
_chemical_formula_sum   'Ti1 Bi2 Te1'
_cell_volume   107.49
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.65  0.73  1.0
  Bi  Bi2  1  0.85  0.0  0.73  1.0
  Te  Te3  1  0.85  0.65  0.0  1.0

Ti Bi Bi Te
Ti Bi Bi Te 0 2 - o - 1 3 - o + 
TiBi2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiBi2Te cluster. Ti(1) is bonded in a distorted L-shaped geometry to one Bi(2) and one Te(1) atom. The Ti(1)-Bi(2) bond length is 1.56 Å. The Ti(1)-Te(1) bond length is 1.92 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The Bi(1)-Te(1) bond length is 1.56 Å. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Ti(1) atom. Te(1) is bonded in a distorted L-shaped geometry to one Ti(1) and one Bi(1) atom.