data_Al2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.62
_cell_angle_alpha   106.66
_cell_angle_beta   106.66
_cell_angle_gamma   27.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cl
_chemical_formula_sum   'Al4 Cl2'
_cell_volume   132.96
_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  0.38  0.0  0.4  1.0
  Al  Al1  1  0.77  0.0  0.29  1.0
  Al  Al2  1  0.38  0.0  0.04  1.0
  Al  Al3  1  0.77  0.0  0.92  1.0
  Cl  Cl4  1  0.87  0.0  0.09  1.0
  Cl  Cl5  1  0.28  0.0  0.24  1.0

data_Al2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.21
_cell_length_b   6.62
_cell_length_c   6.75
_cell_angle_alpha   106.66
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Cl
_chemical_formula_sum   'Al4 Cl2'
_cell_volume   132.96
_cell_formula_units_Z   2
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  0.13  0.69  1.0
  Al  Al1  2  0.0  0.24  0.3  1.0
  Cl  Cl2  2  0.0  0.07  0.21  1.0

Al Al Al Al Cl Cl
Al Al Al Al Cl Cl 0 5 o o o 1 4 o o o 2 5 o o o 3 4 o o + 