data_Al2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   6.79
_cell_angle_alpha   100.17
_cell_angle_beta   100.17
_cell_angle_gamma   37.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Sb
_chemical_formula_sum   'Al4 Sb2'
_cell_volume   130.67
_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  0.43  0.0  0.31  1.0
  Al  Al1  1  0.77  0.0  0.15  1.0
  Al  Al2  1  0.28  0.0  0.05  1.0
  Al  Al3  1  0.96  0.0  0.88  1.0
  Sb  Sb4  1  0.28  0.0  0.09  1.0
  Sb  Sb5  1  0.1  0.0  0.43  1.0

data_Al2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   5.7
_cell_length_c   6.79
_cell_angle_alpha   100.17
_cell_angle_beta   90.0
_cell_angle_gamma   108.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Sb
_chemical_formula_sum   'Al4 Sb2'
_cell_volume   130.67
_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  0.04  0.12  1.0
  Al  Al1  1  0.0  0.23  0.85  1.0
  Al  Al2  1  0.0  0.57  0.69  1.0
  Al  Al3  1  0.0  0.72  0.95  1.0
  Sb  Sb4  1  0.0  0.72  0.91  1.0
  Sb  Sb5  1  0.0  0.9  0.57  1.0

Al Al Al Al Sb Sb
Al Al Al Al Sb Sb 0 4 o o o 0 2 o o o 0 1 o o o 0 5 o o o 1 2 o o o 1 4 o o o 1 3 o o - 1 5 + o o 2 4 o o o 2 3 - o - 3 4 + o + 4 5 o o o 