data_MgGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa2Sn
_chemical_formula_sum   'Mg1 Ga2 Sn1'
_cell_volume   86.11
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.82  0.82  0.0  1.0
  Ga  Ga1  1  0.82  0.82  0.5  1.0
  Sn  Sn3  1  0.0  0.0  0.25  1.0

data_MgGa2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGa2Sn
_chemical_formula_sum   'Mg2 Ga4 Sn2'
_cell_volume   172.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.32  0.5  0.0  1.0
  Ga  Ga2  2  0.32  0.5  0.5  1.0
  Sn  Sn3  2  0.0  0.0  0.25  1.0

Mg Ga Ga Sn
MgGa2Sn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgGa2Sn clusters. Mg(1) is bonded in a distorted L-shaped geometry to one Ga(1) and one Sn(1) atom. The Mg(1)-Ga(1) bond length is 0.93 Å. The Mg(1)-Sn(1) bond length is 1.65 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Mg(1) and one Sn(1) atom. The Ga(1)-Sn(1) bond length is 1.87 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Sn(1) atom. The Ga(2)-Sn(1) bond length is 1.87 Å. Sn(1) is bonded in a 3-coordinate geometry to one Mg(1), one Ga(1), and one Ga(2) atom.