data_Ga3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Sb
_chemical_formula_sum   'Ga3 Sb1'
_cell_volume   84.91
_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  0.58  0.58  0.91  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.58  0.58  0.57  1.0
  Sb  Sb3  1  0.0  0.0  0.24  1.0

data_Ga3Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga3Sb
_chemical_formula_sum   'Ga6 Sb2'
_cell_volume   169.82
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.08  0.5  0.57  1.0
  Ga  Ga2  2  0.08  0.5  0.91  1.0
  Sb  Sb3  2  0.0  0.0  0.24  1.0

Ga Ga Ga Sb
Ga Ga Ga Sb 0 1 o + + 0 1 + o + 0 1 + + + 0 2 o o o 1 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 2 2 + o o 2 2 o + o 
Ga3Sb crystallizes in the monoclinic Cm space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 5-coordinate geometry to one Ga(3) and four equivalent Ga(2) atoms. The Ga(1)-Ga(3) bond length is 2.92 Å. There are a spread of Ga(1)-Ga(2) bond distances ranging from 2.01-2.70 Å. In the second Ga site, Ga(2) is bonded in a 1-coordinate geometry to four equivalent Ga(1) and one Sb(1) atom. The Ga(2)-Sb(1) bond length is 2.06 Å. In the third Ga site, Ga(3) is bonded to one Ga(1), four equivalent Ga(3), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing GaGa5Sb octahedra. The corner-sharing octahedra are not tilted. All Ga(3)-Ga(3) bond lengths are 3.16 Å. The Ga(3)-Sb(1) bond length is 3.36 Å. Sb(1) is bonded in a single-bond geometry to one Ga(2) and one Ga(3) atom.