data_Al2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   3.58
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2B
_chemical_formula_sum   'Al8 B4'
_cell_volume   149.35
_cell_formula_units_Z   4
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  0.93  0.89  0.52  1.0
  Al  Al1  1  0.01  0.68  0.07  1.0
  Al  Al2  1  0.87  0.89  0.04  1.0
  Al  Al3  1  0.95  0.68  0.59  1.0
  Al  Al4  1  0.7  0.89  0.47  1.0
  Al  Al5  1  0.11  0.68  0.92  1.0
  Al  Al6  1  0.76  0.89  0.19  1.0
  Al  Al7  1  0.17  0.68  0.64  1.0
  B  B8  1  0.44  0.89  0.41  1.0
  B  B9  1  0.5  0.68  0.85  1.0
  B  B10  1  0.38  0.89  0.25  1.0
  B  B11  1  0.44  0.68  0.7  1.0

data_Al2B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.58
_cell_length_b   5.88
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2B
_chemical_formula_sum   'Al8 B4'
_cell_volume   149.35
_cell_formula_units_Z   4
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  0.11  0.76  0.92  1.0
  Al  Al1  2  0.11  0.83  0.64  1.0
  Al  Al2  2  0.11  0.93  0.48  1.0
  Al  Al3  2  0.11  0.99  0.96  1.0
  B  B4  2  0.11  0.44  0.7  1.0
  B  B5  2  0.11  0.5  0.85  1.0

Al Al Al Al Al Al Al Al B B B B