data_AlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   9.22
_cell_angle_alpha   99.36
_cell_angle_beta   99.36
_cell_angle_gamma   27.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBr2
_chemical_formula_sum   'Al2 Br4'
_cell_volume   213.54
_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  0.84  0.0  0.81  1.0
  Al  Al1  1  0.85  0.0  0.76  1.0
  Br  Br2  1  0.02  0.0  0.13  1.0
  Br  Br3  1  0.53  0.0  0.39  1.0
  Br  Br4  1  0.42  0.0  0.92  1.0
  Br  Br5  1  0.9  0.0  0.82  1.0

data_AlBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   7.08
_cell_length_c   9.22
_cell_angle_alpha   99.36
_cell_angle_beta   90.0
_cell_angle_gamma   103.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBr2
_chemical_formula_sum   'Al2 Br4'
_cell_volume   213.54
_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  0.15  0.24  1.0
  Al  Al1  1  0.0  0.16  0.19  1.0
  Br  Br2  1  0.0  0.1  0.18  1.0
  Br  Br3  1  0.0  0.47  0.61  1.0
  Br  Br4  1  0.0  0.58  0.08  1.0
  Br  Br5  1  0.0  0.98  0.87  1.0

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