data_Bi3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   145.11
_cell_angle_beta   130.32
_cell_angle_gamma   62.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Te
_chemical_formula_sum   'Bi3 Te1'
_cell_volume   124.07
_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
  Bi  Bi0  1  0.0  0.77  0.76  1.0
  Bi  Bi1  1  0.98  0.0  0.89  1.0
  Bi  Bi2  1  0.0  0.0  0.65  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Bi3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   5.55
_cell_length_c   6.6
_cell_angle_alpha   114.84
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi3Te
_chemical_formula_sum   'Bi3 Te1'
_cell_volume   124.07
_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
  Bi  Bi0  1  0.0  0.65  0.65  1.0
  Bi  Bi1  1  0.0  0.89  0.91  1.0
  Bi  Bi2  1  0.23  0.99  0.99  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Bi Bi Bi Te
Bi3Te is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Bi3Te cluster. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 2-coordinate geometry to one Bi(2) and one Te(1) atom. The Bi(1)-Bi(2) bond length is 0.92 Å. The Bi(1)-Te(1) bond length is 0.92 Å. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one Te(1) atom. The Bi(2)-Bi(3) bond length is 1.67 Å. The Bi(2)-Te(1) bond length is 0.63 Å. In the third Bi site, Bi(3) is bonded in a single-bond geometry to one Bi(2) atom. Te(1) is bonded in a distorted single-bond geometry to one Bi(1) and one Bi(2) atom.