data_Al7Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.7
_cell_length_b   10.7
_cell_length_c   10.7
_cell_angle_alpha   30.98
_cell_angle_beta   30.98
_cell_angle_gamma   30.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al7Sn6
_chemical_formula_sum   'Al7 Sn6'
_cell_volume   287.63
_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  0.56  0.83  0.81  1.0
  Al  Al1  1  0.0  0.34  0.81  1.0
  Al  Al2  1  0.44  0.83  0.81  1.0
  Al  Al3  1  0.44  0.17  0.72  1.0
  Al  Al4  1  0.56  0.17  0.72  1.0
  Al  Al5  1  0.0  0.66  0.72  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  Sn  Sn7  1  0.0  0.0  0.89  1.0
  Sn  Sn8  1  0.0  0.0  0.64  1.0
  Sn  Sn9  1  0.0  0.0  0.16  1.0
  Sn  Sn10  1  0.0  0.0  0.37  1.0
  Sn  Sn11  1  0.0  0.0  0.42  1.0
  Sn  Sn12  1  0.0  0.0  0.11  1.0

data_Al7Sn6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   10.7
_cell_angle_alpha   74.51
_cell_angle_beta   74.51
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al7Sn6
_chemical_formula_sum   'Al7 Sn6'
_cell_volume   287.63
_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  0.17  0.19  0.08  1.0
  Al  Al2  1  0.17  0.19  0.2  1.0
  Al  Al3  1  0.34  0.28  0.38  1.0
  Al  Al4  1  0.66  0.19  0.14  1.0
  Al  Al5  1  0.83  0.28  0.33  1.0
  Al  Al6  1  0.83  0.28  0.45  1.0
  Sn  Sn7  1  0.0  0.11  0.89  1.0
  Sn  Sn8  1  0.0  0.36  0.64  1.0
  Sn  Sn9  1  0.0  0.58  0.42  1.0
  Sn  Sn10  1  0.0  0.63  0.37  1.0
  Sn  Sn11  1  0.0  0.84  0.16  1.0
  Sn  Sn12  1  0.0  0.89  0.11  1.0

Al Al Al Al Al Al Al Sn Sn Sn Sn Sn Sn
Al7Sn6 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Al7Sn6 cluster. There are seven inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Al(3) and one Al(4) atom. The Al(1)-Al(3) bond length is 1.29 Å. The Al(1)-Al(4) bond length is 1.99 Å. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to one Sn(6) atom. The Al(2)-Sn(6) bond length is 1.87 Å. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Al(1) atom. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to one Al(1) and one Al(5) atom. The Al(4)-Al(5) bond length is 1.29 Å. In the fifth Al site, Al(5) is bonded in a 3-coordinate geometry to one Al(4), one Sn(2), and one Sn(5) atom. The Al(5)-Sn(2) bond length is 2.70 Å. The Al(5)-Sn(5) bond length is 2.28 Å. In the sixth Al site, Al(6) is bonded in a 1-coordinate geometry to one Sn(2) and one Sn(5) atom. The Al(6)-Sn(2) bond length is 2.91 Å. The Al(6)-Sn(5) bond length is 1.87 Å. In the seventh Al site, Al(7) is bonded in a linear geometry to one Sn(1) and one Sn(6) atom. The Al(7)-Sn(1) bond length is 1.23 Å. The Al(7)-Sn(6) bond length is 1.16 Å. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Al(7) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.60 Å. In the second Sn site, Sn(2) is bonded in a square co-planar geometry to one Al(5), one Al(6), one Sn(1), and one Sn(5) atom. The Sn(2)-Sn(5) bond length is 2.39 Å. In the third Sn site, Sn(3) is bonded in a single-bond geometry to one Sn(6) atom. The Sn(3)-Sn(6) bond length is 0.55 Å. In the fourth Sn site, Sn(4) is bonded in a single-bond geometry to one Sn(5) atom. The Sn(4)-Sn(5) bond length is 0.55 Å. In the fifth Sn site, Sn(5) is bonded in a 1-coordinate geometry to one Al(5), one Al(6), one Sn(2), and one Sn(4) atom. In the sixth Sn site, Sn(6) is bonded in a distorted linear geometry to one Al(2), one Al(7), and one Sn(3) atom.