data_AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   8.01
_cell_angle_alpha   102.67
_cell_angle_beta   102.67
_cell_angle_gamma   27.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al3 Cl3'
_cell_volume   169.57
_cell_formula_units_Z   3
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  0.92  0.0  0.17  1.0
  Al  Al1  1  0.5  0.0  0.78  1.0
  Al  Al2  1  0.97  0.0  0.66  1.0
  Cl  Cl3  1  0.12  0.0  0.96  1.0
  Cl  Cl4  1  0.7  0.0  0.21  1.0
  Cl  Cl5  1  0.44  0.0  0.73  1.0

data_AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.87
_cell_length_c   8.01
_cell_angle_alpha   102.67
_cell_angle_beta   90.0
_cell_angle_gamma   103.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCl
_chemical_formula_sum   'Al3 Cl3'
_cell_volume   169.57
_cell_formula_units_Z   3
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  0.03  0.34  1.0
  Al  Al1  1  0.0  0.08  0.83  1.0
  Al  Al2  1  0.0  0.5  0.22  1.0
  Cl  Cl3  1  0.0  0.3  0.79  1.0
  Cl  Cl4  1  0.0  0.56  0.27  1.0
  Cl  Cl5  1  0.0  0.88  0.04  1.0

Al Al Al Cl Cl Cl