data_Al7Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.0
_cell_length_b   12.0
_cell_length_c   12.0
_cell_angle_alpha   28.0
_cell_angle_beta   28.0
_cell_angle_gamma   28.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al7Te6
_chemical_formula_sum   'Al7 Te6'
_cell_volume   336.32
_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
  Al  Al0  1  0.39  0.19  0.79  1.0
  Al  Al1  1  0.61  0.19  0.79  1.0
  Al  Al2  1  0.0  0.61  0.79  1.0
  Al  Al3  1  0.61  0.81  0.77  1.0
  Al  Al4  1  0.0  0.39  0.77  1.0
  Al  Al5  1  0.39  0.81  0.77  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  Te  Te7  1  0.0  0.0  0.72  1.0
  Te  Te8  1  0.0  0.0  0.85  1.0
  Te  Te9  1  0.0  0.0  0.12  1.0
  Te  Te10  1  0.0  0.0  0.44  1.0
  Te  Te11  1  0.0  0.0  0.9  1.0
  Te  Te12  1  0.0  0.0  0.67  1.0

data_Al7Te6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   12.0
_cell_angle_alpha   76.0
_cell_angle_beta   76.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al7Te6
_chemical_formula_sum   'Al7 Te6'
_cell_volume   336.32
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.19  0.23  0.18  1.0
  Al  Al2  1  0.19  0.23  0.97  1.0
  Al  Al3  1  0.39  0.21  0.4  1.0
  Al  Al4  1  0.61  0.23  0.16  1.0
  Al  Al5  1  0.81  0.21  0.59  1.0
  Al  Al6  1  0.81  0.21  0.38  1.0
  Te  Te7  1  0.0  0.1  0.9  1.0
  Te  Te8  1  0.0  0.15  0.85  1.0
  Te  Te9  1  0.0  0.28  0.72  1.0
  Te  Te10  1  0.0  0.33  0.67  1.0
  Te  Te11  1  0.0  0.56  0.44  1.0
  Te  Te12  1  0.0  0.88  0.12  1.0

Al Al Al Al Al Al Al Te Te Te Te Te Te
Al7Te6 crystallizes in the triclinic P1 space group. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one Al(2), one Al(3), one Al(4), one Al(5), and two equivalent Te(4) atoms. The Al(1)-Al(2) bond length is 2.53 Å. The Al(1)-Al(3) bond length is 2.37 Å. The Al(1)-Al(4) bond length is 2.89 Å. The Al(1)-Al(5) bond length is 3.07 Å. There is one shorter (3.06 Å) and one longer (3.30 Å) Al(1)-Te(4) bond length. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Al(1) and one Te(6) atom. The Al(2)-Te(6) bond length is 2.06 Å. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Al(1), one Al(4), and one Te(4) atom. The Al(3)-Al(4) bond length is 3.07 Å. The Al(3)-Te(4) bond length is 2.19 Å. In the fourth Al site, Al(4) is bonded in a 6-coordinate geometry to one Al(1), one Al(3), one Al(5), one Al(6), and two equivalent Te(3) atoms. The Al(4)-Al(5) bond length is 2.37 Å. The Al(4)-Al(6) bond length is 2.53 Å. There is one shorter (3.06 Å) and one longer (3.30 Å) Al(4)-Te(3) bond length. In the fifth Al site, Al(5) is bonded in a distorted single-bond geometry to one Al(1), one Al(4), and one Te(3) atom. The Al(5)-Te(3) bond length is 2.19 Å. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to one Al(4), one Al(7), one Te(2), and one Te(5) atom. The Al(6)-Al(7) bond length is 2.06 Å. The Al(6)-Te(2) bond length is 2.32 Å. The Al(6)-Te(5) bond length is 2.06 Å. In the seventh Al site, Al(7) is bonded in a linear geometry to one Al(6), one Te(3), and one Te(5) atom. The Al(7)-Te(3) bond length is 1.44 Å. The Al(7)-Te(5) bond length is 1.26 Å. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 2-coordinate geometry to one Te(2) and one Te(6) atom. The Te(1)-Te(2) bond length is 1.55 Å. The Te(1)-Te(6) bond length is 0.60 Å. In the second Te site, Te(2) is bonded in a 2-coordinate geometry to one Al(6), one Te(1), and one Te(5) atom. The Te(2)-Te(5) bond length is 0.60 Å. In the third Te site, Te(3) is bonded in a 2-coordinate geometry to one Al(5), one Al(7), and two equivalent Al(4) atoms. In the fourth Te site, Te(4) is bonded in a distorted single-bond geometry to one Al(3) and two equivalent Al(1) atoms. In the fifth Te site, Te(5) is bonded in a distorted trigonal non-coplanar geometry to one Al(6), one Al(7), and one Te(2) atom. In the sixth Te site, Te(6) is bonded in a water-like geometry to one Al(2) and one Te(1) atom.