data_Ga2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   7.74
_cell_angle_alpha   104.3
_cell_angle_beta   104.3
_cell_angle_gamma   30.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Sn
_chemical_formula_sum   'Ga4 Sn2'
_cell_volume   146.84
_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
  Ga  Ga0  1  0.03  0.0  0.48  1.0
  Ga  Ga1  1  0.67  0.0  0.99  1.0
  Ga  Ga2  1  0.33  0.0  0.5  1.0
  Ga  Ga3  1  0.89  0.0  0.41  1.0
  Sn  Sn4  1  0.56  0.0  0.93  1.0
  Sn  Sn5  1  0.21  0.0  0.4  1.0

data_Ga2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   6.21
_cell_length_c   7.74
_cell_angle_alpha   104.3
_cell_angle_beta   90.0
_cell_angle_gamma   105.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Sn
_chemical_formula_sum   'Ga4 Sn2'
_cell_volume   146.84
_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
  Ga  Ga0  1  0.0  0.11  0.59  1.0
  Ga  Ga1  1  0.0  0.33  0.01  1.0
  Ga  Ga2  1  0.0  0.67  0.5  1.0
  Ga  Ga3  1  0.0  0.97  0.52  1.0
  Sn  Sn4  1  0.0  0.44  0.07  1.0
  Sn  Sn5  1  0.0  0.79  0.6  1.0

Ga Ga Ga Ga Sn Sn
Ga Ga Ga Ga Sn Sn 0 3 - o o 1 4 o o o 2 5 o o o 
Ga2Sn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ga3Sn cluster and one GaSn cluster. In the Ga3Sn cluster, there are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a bent 120 degrees geometry to one Ga(4) and one Sn(2) atom. The Ga(1)-Ga(4) bond length is 0.86 Å. The Ga(1)-Sn(2) bond length is 1.42 Å. In the second Ga site, Ga(3) is bonded in a single-bond geometry to one Sn(2) atom. The Ga(3)-Sn(2) bond length is 0.95 Å. In the third Ga site, Ga(4) is bonded in a single-bond geometry to one Ga(1) atom. Sn(2) is bonded in a water-like geometry to one Ga(1) and one Ga(3) atom. In the GaSn cluster, Ga(2) is bonded in a single-bond geometry to one Sn(1) atom. The Ga(2)-Sn(1) bond length is 0.73 Å. Sn(1) is bonded in a single-bond geometry to one Ga(2) atom.