data_Al3Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.37
_cell_length_b   15.37
_cell_length_c   15.37
_cell_angle_alpha   167.38
_cell_angle_beta   167.38
_cell_angle_gamma   17.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Br4
_chemical_formula_sum   'Al3 Br4'
_cell_volume   173.53
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.92  1.0
  Al  Al2  1  0.0  0.0  0.45  1.0
  Br  Br3  1  0.0  0.0  0.32  1.0
  Br  Br4  1  0.0  0.0  0.05  1.0
  Br  Br5  1  0.0  0.0  0.85  1.0
  Br  Br6  1  0.0  0.0  0.52  1.0

data_Al3Br4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   15.37
_cell_angle_alpha   90.0
_cell_angle_beta   98.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al3Br4
_chemical_formula_sum   'Al6 Br8'
_cell_volume   347.05
_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  2  0.0  0.0  0.0  1.0
  Al  Al1  2  0.0  0.0  0.08  1.0
  Al  Al2  2  0.0  0.0  0.55  1.0
  Br  Br3  2  0.0  0.0  0.15  1.0
  Br  Br4  2  0.0  0.0  0.48  1.0
  Br  Br5  2  0.0  0.0  0.68  1.0
  Br  Br6  2  0.0  0.0  0.95  1.0

Al Al Al Br Br Br Br