data_AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   10.99
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al12 Cl12'
_cell_volume   656.68
_cell_formula_units_Z   12
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  0.11  0.97  0.77  1.0
  Al  Al1  1  0.29  0.01  0.59  1.0
  Al  Al2  1  0.29  0.48  0.77  1.0
  Al  Al3  1  0.11  0.51  0.59  1.0
  Al  Al4  1  0.82  0.27  0.77  1.0
  Al  Al5  1  0.59  0.72  0.59  1.0
  Al  Al6  1  0.59  0.76  0.77  1.0
  Al  Al7  1  0.82  0.22  0.59  1.0
  Al  Al8  1  0.08  0.75  0.0  1.0
  Al  Al9  1  0.33  0.24  0.18  1.0
  Al  Al10  1  0.33  0.24  0.0  1.0
  Al  Al11  1  0.08  0.75  0.18  1.0
  Cl  Cl12  1  0.6  0.05  0.77  1.0
  Cl  Cl13  1  0.8  0.94  0.59  1.0
  Cl  Cl14  1  0.8  0.55  0.77  1.0
  Cl  Cl15  1  0.6  0.43  0.59  1.0
  Cl  Cl16  1  0.81  0.19  0.77  1.0
  Cl  Cl17  1  0.6  0.8  0.59  1.0
  Cl  Cl18  1  0.6  0.68  0.77  1.0
  Cl  Cl19  1  0.81  0.3  0.59  1.0
  Cl  Cl20  1  0.85  0.75  0.0  1.0
  Cl  Cl21  1  0.56  0.24  0.18  1.0
  Cl  Cl22  1  0.56  0.24  0.0  1.0
  Cl  Cl23  1  0.85  0.75  0.18  1.0

data_AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.35
_cell_length_b   9.41
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al12 Cl12'
_cell_volume   656.68
_cell_formula_units_Z   12
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  0.33  0.24  1.0
  Al  Al1  1  0.0  0.08  0.75  1.0
  Al  Al2  1  0.18  0.08  0.75  1.0
  Al  Al3  1  0.18  0.33  0.24  1.0
  Al  Al4  1  0.59  0.11  0.51  1.0
  Al  Al5  1  0.59  0.29  0.01  1.0
  Al  Al6  1  0.59  0.59  0.72  1.0
  Al  Al7  1  0.59  0.82  0.22  1.0
  Al  Al8  1  0.77  0.11  0.97  1.0
  Al  Al9  1  0.77  0.29  0.48  1.0
  Al  Al10  1  0.77  0.59  0.76  1.0
  Al  Al11  1  0.77  0.82  0.27  1.0
  Cl  Cl12  1  0.0  0.56  0.24  1.0
  Cl  Cl13  1  0.0  0.85  0.75  1.0
  Cl  Cl14  1  0.18  0.56  0.24  1.0
  Cl  Cl15  1  0.18  0.85  0.75  1.0
  Cl  Cl16  1  0.59  0.6  0.8  1.0
  Cl  Cl17  1  0.59  0.6  0.43  1.0
  Cl  Cl18  1  0.59  0.8  0.94  1.0
  Cl  Cl19  1  0.59  0.81  0.3  1.0
  Cl  Cl20  1  0.77  0.6  0.68  1.0
  Cl  Cl21  1  0.77  0.6  0.05  1.0
  Cl  Cl22  1  0.77  0.8  0.55  1.0
  Cl  Cl23  1  0.77  0.81  0.19  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Al Al Al Al Al Al Al Al Al Al Al Al Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 1 o + o 2 3 o o o 4 16 o o o 4 15 o o o 5 17 o o o 5 14 o o o 6 18 o o o 6 13 o o o 6 14 o o o 7 19 o o o 7 12 o o o 7 13 o - o 7 15 o o o 8 11 o o o 9 10 o o o 12 17 o - o 12 22 o o + 12 13 o - o 12 16 o o o 13 17 o o o 13 16 o + o 14 15 o o o 14 18 o o o 14 19 o o o 14 20 o o + 15 18 o o o 15 19 o o o 20 23 o o o 21 22 o o o 