data_Al2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   18.41
_cell_angle_beta   18.41
_cell_angle_gamma   18.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2GaSb
_chemical_formula_sum   'Al2 Ga1 Sb1'
_cell_volume   82.39
_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
  Al  Al0  1  0.0  0.0  0.43  1.0
  Al  Al1  1  0.0  0.0  0.51  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.47  1.0

data_Al2GaSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   3.14
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2GaSb
_chemical_formula_sum   'Al4 Ga2 Sb2'
_cell_volume   164.78
_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
  Al  Al0  2  -0.0  0.0  0.57  1.0
  Al  Al1  2  -0.0  0.0  0.49  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  -0.0  0.0  0.53  1.0

Al Al Ga Sb
Al Al Ga Sb 0 3 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 