data_MgGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaSb2
_chemical_formula_sum   'Mg1 Ga1 Sb2'
_cell_volume   96.3
_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  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.64  1.0
  Sb  Sb2  1  0.82  0.82  0.81  1.0
  Sb  Sb3  1  0.82  0.82  0.46  1.0

data_MgGaSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   7.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaSb2
_chemical_formula_sum   'Mg2 Ga2 Sb4'
_cell_volume   192.6
_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  0.0  0.0  0.64  1.0
  Sb  Sb2  2  0.32  0.5  0.46  1.0
  Sb  Sb3  2  0.32  0.5  0.81  1.0

Mg Ga Sb Sb
MgGaSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgGaSb2 clusters. Mg(1) is bonded in a single-bond geometry to one Sb(1) atom. The Mg(1)-Sb(1) bond length is 1.65 Å. Ga(1) is bonded in a water-like geometry to one Sb(1) and one Sb(2) atom. The Ga(1)-Sb(1) bond length is 1.58 Å. The Ga(1)-Sb(2) bond length is 1.58 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a water-like geometry to one Mg(1) and one Ga(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Ga(1) atom.