data_AlI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   4.0
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlI
_chemical_formula_sum   'Al2 I2'
_cell_volume   134.36
_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  0.45  0.0  0.16  1.0
  Al  Al1  1  0.34  0.0  0.63  1.0
  I  I2  1  0.34  0.0  0.39  1.0
  I  I3  1  0.45  0.0  0.41  1.0

data_AlI
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.79
_cell_length_b   4.0
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   AlI
_chemical_formula_sum   'Al2 I2'
_cell_volume   134.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.05  0.0  0.77  1.0
  I  I1  2  0.05  0.0  0.01  1.0

Al Al I I