data_AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al2 Cl2'
_cell_volume   96.02
_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  0.7  0.59  0.97  1.0
  Al  Al1  1  0.7  0.41  0.93  1.0
  Cl  Cl2  1  0.7  0.59  0.24  1.0
  Cl  Cl3  1  0.7  0.41  0.66  1.0

data_AlCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.39
_cell_length_b   3.6
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.08
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al2 Cl2'
_cell_volume   96.02
_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  0.41  0.91  0.52  1.0
  Cl  Cl1  2  0.41  0.91  0.79  1.0

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