data_Al2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2B
_chemical_formula_sum   'Al8 B4'
_cell_volume   214.4
_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  0.0  0.0  0.49  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.31  0.79  0.74  1.0
  Al  Al3  1  0.31  0.76  0.25  1.0
  Al  Al4  1  0.69  0.79  0.74  1.0
  Al  Al5  1  0.0  0.52  0.74  1.0
  Al  Al6  1  0.62  0.03  0.25  1.0
  Al  Al7  1  0.93  0.76  0.25  1.0
  B  B8  1  0.62  0.51  0.84  1.0
  B  B9  1  0.0  0.03  0.34  1.0
  B  B10  1  0.0  0.03  0.15  1.0
  B  B11  1  0.62  0.51  0.65  1.0

data_Al2B
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.25
_cell_length_b   8.99
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2B
_chemical_formula_sum   'Al8 B4'
_cell_volume   214.4
_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  0.0  0.25  0.0  1.0
  Al  Al1  1  -0.0  0.0  0.52  1.0
  Al  Al2  1  0.31  0.0  0.79  1.0
  Al  Al3  1  0.31  0.5  0.76  1.0
  Al  Al4  1  0.62  0.5  0.03  1.0
  Al  Al5  1  0.69  0.0  0.79  1.0
  Al  Al6  1  0.93  0.5  0.76  1.0
  B  B7  2  -0.0  0.41  0.03  1.0
  B  B8  2  0.62  0.09  0.51  1.0

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