data_AlS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   3.46
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlS
_chemical_formula_sum   'Al2 S2'
_cell_volume   74.19
_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  0.72  0.0  0.68  1.0
  Al  Al1  1  0.57  0.0  0.72  1.0
  S  S2  1  0.57  0.73  0.44  1.0
  S  S3  1  0.72  0.73  0.96  1.0

data_AlS
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.4
_cell_length_b   3.46
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   AlS
_chemical_formula_sum   'Al2 S2'
_cell_volume   74.19
_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  0.02  0.0  0.93  1.0
  S  S1  2  0.26  0.27  0.07  1.0

Al Al S S
Al Al S S 0 1 o o o 0 2 o - o 0 3 o - o 1 2 o - o 1 3 o - o 