data_Al3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Sb
_chemical_formula_sum   'Al6 Sb2'
_cell_volume   160.32
_cell_formula_units_Z   2
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  0.67  0.72  1.0
  Al  Al1  1  0.61  0.46  0.72  1.0
  Al  Al2  1  0.39  0.46  0.72  1.0
  Al  Al3  1  0.66  0.84  0.24  1.0
  Al  Al4  1  0.45  0.84  0.24  1.0
  Al  Al5  1  0.06  0.62  0.24  1.0
  Sb  Sb6  1  0.06  0.76  0.72  1.0
  Sb  Sb7  1  0.0  0.53  0.24  1.0

data_Al3Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.96
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al3Sb
_chemical_formula_sum   'Al6 Sb2'
_cell_volume   160.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.36  0.31  1.0
  Al  Al1  2  0.24  0.58  0.31  1.0
  Al  Al2  2  0.24  0.97  0.53  1.0
  Sb  Sb3  2  0.24  0.03  0.62  1.0

Al Al Al Al Al Al Sb Sb
Al Al Al Al Al Al Sb Sb 0 6 o o o 1 2 o o o 3 4 o o o 5 7 o o o 