data_Al4Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ge5
_chemical_formula_sum   'Al8 Ge10'
_cell_volume   326.09
_cell_formula_units_Z   2
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  0.85  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.45  0.51  0.27  1.0
  Al  Al3  1  0.23  0.0  0.27  1.0
  Al  Al4  1  0.38  0.53  0.27  1.0
  Al  Al5  1  0.62  0.53  0.42  1.0
  Al  Al6  1  0.9  0.0  0.42  1.0
  Al  Al7  1  0.55  0.51  0.42  1.0
  Ge  Ge8  1  0.82  0.88  0.27  1.0
  Ge  Ge9  1  0.5  0.0  0.27  1.0
  Ge  Ge10  1  0.75  0.16  0.27  1.0
  Ge  Ge11  1  0.25  0.16  0.42  1.0
  Ge  Ge12  1  0.63  0.0  0.42  1.0
  Ge  Ge13  1  0.18  0.88  0.42  1.0
  Ge  Ge14  1  0.0  0.69  0.85  1.0
  Ge  Ge15  1  0.07  0.35  0.0  1.0
  Ge  Ge16  1  0.07  0.35  0.85  1.0
  Ge  Ge17  1  0.0  0.69  0.0  1.0

data_Al4Ge5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.69
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ge5
_chemical_formula_sum   'Al8 Ge10'
_cell_volume   326.09
_cell_formula_units_Z   2
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  0.27  0.23  0.0  1.0
  Al  Al2  1  0.27  0.38  0.53  1.0
  Al  Al3  1  0.27  0.45  0.51  1.0
  Al  Al4  1  0.42  0.55  0.51  1.0
  Al  Al5  1  0.42  0.62  0.53  1.0
  Al  Al6  1  0.42  0.9  0.0  1.0
  Al  Al7  1  0.85  0.0  0.0  1.0
  Ge  Ge8  1  -0.0  0.0  0.69  1.0
  Ge  Ge9  1  0.0  0.07  0.35  1.0
  Ge  Ge10  1  0.27  0.5  0.0  1.0
  Ge  Ge11  1  0.27  0.75  0.16  1.0
  Ge  Ge12  1  0.27  0.82  0.88  1.0
  Ge  Ge13  1  0.42  0.18  0.88  1.0
  Ge  Ge14  1  0.42  0.25  0.16  1.0
  Ge  Ge15  1  0.42  0.63  0.0  1.0
  Ge  Ge16  1  0.85  0.0  0.69  1.0
  Ge  Ge17  1  0.85  0.07  0.35  1.0

Al Al Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
Al Al Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 1 o o + 2 4 o o o 3 13 o - o 3 11 o o o 5 7 o o o 6 8 o - o 9 12 o o o 10 12 o o o 14 17 o o + 15 16 o o - 
Al4Ge5 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Al4Ge5 cluster. There are eight inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to one Al(2), one Ge(7), and one Ge(9) atom. The Al(1)-Al(2) bond length is 0.87 Å. The Al(1)-Ge(7) bond length is 2.48 Å. The Al(1)-Ge(9) bond length is 2.60 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Al(1) and one Ge(1) atom. The Al(2)-Ge(1) bond length is 2.03 Å. In the third Al site, Al(3) is bonded in a distorted bent 120 degrees geometry to one Al(5) and one Al(8) atom. The Al(3)-Al(5) bond length is 0.63 Å. The Al(3)-Al(8) bond length is 1.19 Å. In the fourth Al site, Al(4) is bonded in a 2-coordinate geometry to one Ge(2), one Ge(4), and one Ge(6) atom. The Al(4)-Ge(2) bond length is 2.17 Å. The Al(4)-Ge(4) bond length is 1.54 Å. The Al(4)-Ge(6) bond length is 1.23 Å. In the fifth Al site, Al(5) is bonded in a distorted single-bond geometry to one Al(3) atom. In the sixth Al site, Al(6) is bonded in a distorted water-like geometry to one Al(8) and one Ge(1) atom. The Al(6)-Al(8) bond length is 0.47 Å. The Al(6)-Ge(1) bond length is 2.60 Å. In the seventh Al site, Al(7) is bonded in a single-bond geometry to one Ge(1), one Ge(3), and one Ge(5) atom. The Al(7)-Ge(1) bond length is 1.24 Å. The Al(7)-Ge(3) bond length is 2.37 Å. The Al(7)-Ge(5) bond length is 2.17 Å. In the eighth Al site, Al(8) is bonded in a distorted bent 120 degrees geometry to one Al(3) and one Al(6) atom. There are ten inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Al(2), one Al(6), and one Al(7) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Al(4), one Ge(3), and one Ge(5) atom. The Ge(2)-Ge(3) bond length is 1.80 Å. The Ge(2)-Ge(5) bond length is 1.39 Å. In the third Ge site, Ge(3) is bonded in a 4-coordinate geometry to one Al(7), one Ge(2), one Ge(5), and one Ge(8) atom. The Ge(3)-Ge(5) bond length is 1.48 Å. The Ge(3)-Ge(8) bond length is 2.71 Å. In the fourth Ge site, Ge(4) is bonded in a distorted single-bond geometry to one Al(4) atom. In the fifth Ge site, Ge(5) is bonded in a 3-coordinate geometry to one Al(7), one Ge(2), and one Ge(3) atom. In the sixth Ge site, Ge(6) is bonded in a single-bond geometry to one Al(4) atom. In the seventh Ge site, Ge(7) is bonded in a 2-coordinate geometry to one Al(1) and one Ge(10) atom. The Ge(7)-Ge(10) bond length is 0.87 Å. In the eighth Ge site, Ge(8) is bonded in a 1-coordinate geometry to one Ge(3) and one Ge(9) atom. The Ge(8)-Ge(9) bond length is 0.87 Å. In the ninth Ge site, Ge(9) is bonded in a distorted L-shaped geometry to one Al(1) and one Ge(8) atom. In the tenth Ge site, Ge(10) is bonded in a 1-coordinate geometry to one Ge(7) atom.