data_GaSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   116.99
_cell_angle_beta   116.99
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn3
_chemical_formula_sum   'Ga1 Sn3'
_cell_volume   103.28
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.03  0.08  1.0
  Sn  Sn2  1  0.37  0.48  0.08  1.0
  Sn  Sn3  1  0.63  0.48  0.08  1.0

data_GaSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   116.99
_cell_angle_beta   100.1
_cell_angle_gamma   100.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn3
_chemical_formula_sum   'Ga1 Sn3'
_cell_volume   103.28
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.08  0.08  0.05  1.0
  Sn  Sn2  1  0.08  0.45  0.6  1.0
  Sn  Sn3  1  0.08  0.71  0.6  1.0

Ga Sn Sn Sn
GaSn3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one GaSn3 cluster. Ga(1) is bonded in a single-bond geometry to one Sn(1) and one Sn(2) atom. The Ga(1)-Sn(1) bond length is 0.44 Å. The Ga(1)-Sn(2) bond length is 2.41 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Ga(1) atom. In the second Sn site, Sn(2) is bonded in a distorted water-like geometry to one Ga(1) and one Sn(3) atom. The Sn(2)-Sn(3) bond length is 1.55 Å. In the third Sn site, Sn(3) is bonded in a single-bond geometry to one Sn(2) atom.