data_Al4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ge3
_chemical_formula_sum   'Al4 Ge3'
_cell_volume   131.41
_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  0.83  1.0
  Al  Al1  1  0.0  0.0  0.26  1.0
  Al  Al2  1  0.0  0.15  0.0  1.0
  Al  Al3  1  0.73  0.58  0.0  1.0
  Ge  Ge4  1  0.36  0.36  0.55  1.0
  Ge  Ge5  1  0.73  0.0  0.55  1.0
  Ge  Ge6  1  0.64  0.36  0.55  1.0

data_Al4Ge3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ge3
_chemical_formula_sum   'Al4 Ge3'
_cell_volume   131.41
_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  0.15  1.0
  Al  Al1  1  0.0  0.73  0.58  1.0
  Al  Al2  1  0.26  0.0  0.0  1.0
  Al  Al3  1  0.83  0.0  0.0  1.0
  Ge  Ge4  1  0.55  0.36  0.36  1.0
  Ge  Ge5  1  0.55  0.64  0.36  1.0
  Ge  Ge6  1  0.55  0.73  0.0  1.0

Al Al Al Al Ge Ge Ge
Al4Ge3 crystallizes in the triclinic P1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Al(3), one Al(4), one Ge(1), and one Ge(2) atom. The Al(1)-Al(3) bond length is 1.18 Å. The Al(1)-Al(4) bond length is 2.20 Å. The Al(1)-Ge(1) bond length is 2.48 Å. The Al(1)-Ge(2) bond length is 2.09 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Al(3), one Al(4), one Ge(1), and one Ge(2) atom. The Al(2)-Al(3) bond length is 1.54 Å. The Al(2)-Al(4) bond length is 2.41 Å. The Al(2)-Ge(1) bond length is 2.48 Å. The Al(2)-Ge(2) bond length is 2.09 Å. In the third Al site, Al(3) is bonded in a distorted water-like geometry to one Al(1) and one Al(2) atom. In the fourth Al site, Al(4) is bonded in a 5-coordinate geometry to one Al(1), one Al(2), one Ge(1), and two equivalent Ge(3) atoms. The Al(4)-Ge(1) bond length is 2.89 Å. There is one shorter (2.52 Å) and one longer (2.95 Å) Al(4)-Ge(3) bond length. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Al(4), and one Ge(3) atom. The Ge(1)-Ge(3) bond length is 1.47 Å. In the second Ge site, Ge(2) is bonded in a distorted L-shaped geometry to one Al(1), one Al(2), and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 2.29 Å. In the third Ge site, Ge(3) is bonded in a 4-coordinate geometry to two equivalent Al(4), one Ge(1), and one Ge(2) atom.