data_AlCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   108.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl2
_chemical_formula_sum   'Al2 Cl4'
_cell_volume   122.91
_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  0.0  0.73  1.0
  Al  Al1  1  0.0  0.0  0.58  1.0
  Cl  Cl2  1  0.24  0.88  0.0  1.0
  Cl  Cl3  1  0.88  0.24  0.15  1.0
  Cl  Cl4  1  0.36  0.24  0.0  1.0
  Cl  Cl5  1  0.76  0.88  0.15  1.0

data_AlCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   108.92
_cell_angle_beta   109.75
_cell_angle_gamma   109.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl2
_chemical_formula_sum   'Al2 Cl4'
_cell_volume   122.91
_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  0.58  0.0  0.0  1.0
  Al  Al1  1  0.73  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.24  0.88  1.0
  Cl  Cl3  1  0.0  0.36  0.24  1.0
  Cl  Cl4  1  0.15  0.76  0.88  1.0
  Cl  Cl5  1  0.15  0.88  0.24  1.0

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