data_Al8B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   95.42
_cell_angle_beta   95.42
_cell_angle_gamma   144.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al8B
_chemical_formula_sum   'Al8 B1'
_cell_volume   137.42
_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  0.35  0.65  0.93  1.0
  Al  Al1  1  0.65  0.35  0.93  1.0
  Al  Al2  1  0.77  0.0  0.0  1.0
  Al  Al3  1  0.35  0.35  0.93  1.0
  Al  Al4  1  0.0  0.77  0.0  1.0
  Al  Al5  1  0.87  0.87  0.0  1.0
  Al  Al6  1  0.68  0.0  0.0  1.0
  Al  Al7  1  0.0  0.68  0.0  1.0
  B  B8  1  0.0  0.0  0.0  1.0

data_Al8B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   11.94
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   107.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al8B
_chemical_formula_sum   'Al16 B2'
_cell_volume   274.83
_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  4  0.12  0.88  -0.0  1.0
  Al  Al1  4  0.16  0.84  -0.0  1.0
  Al  Al2  4  0.43  0.15  0.93  1.0
  Al  Al3  2  0.07  0.5  0.93  1.0
  Al  Al4  2  0.13  0.0  -0.0  1.0
  B  B5  2  0.0  0.0  0.0  1.0

Al Al Al Al Al Al Al Al B