data_AlGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   145.51
_cell_angle_beta   128.48
_cell_angle_gamma   63.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Sn
_chemical_formula_sum   'Al1 Ga2 Sn1'
_cell_volume   83.41
_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  0.0  1.0
  Ga  Ga1  1  0.0  0.5  0.62  1.0
  Ga  Ga2  1  0.71  0.0  0.27  1.0
  Sn  Sn3  1  0.0  0.0  0.89  1.0

data_AlGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.0
_cell_length_c   5.75
_cell_angle_alpha   115.76
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGa2Sn
_chemical_formula_sum   'Al1 Ga2 Sn1'
_cell_volume   83.41
_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  0.0  1.0
  Ga  Ga1  1  0.38  0.88  0.88  1.0
  Ga  Ga2  1  0.44  0.73  0.44  1.0
  Sn  Sn3  1  0.11  0.11  0.11  1.0

Al Ga Ga Sn
Ga2AlSn crystallizes in the triclinic P1 space group. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 4-coordinate geometry to one Ga(2), two equivalent Al(1), and one Sn(1) atom. The Ga(1)-Ga(2) bond length is 2.38 Å. There is one shorter (1.64 Å) and one longer (2.03 Å) Ga(1)-Al(1) bond length. The Ga(1)-Sn(1) bond length is 1.83 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to one Ga(1), one Al(1), and two equivalent Sn(1) atoms. The Ga(2)-Al(1) bond length is 2.92 Å. There is one shorter (2.86 Å) and one longer (3.20 Å) Ga(2)-Sn(1) bond length. Al(1) is bonded in a distorted single-bond geometry to one Ga(2), two equivalent Ga(1), and one Sn(1) atom. The Al(1)-Sn(1) bond length is 0.62 Å. Sn(1) is bonded in a single-bond geometry to one Ga(1), two equivalent Ga(2), and one Al(1) atom.