data_[Al1S3Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6301]
_cell_length_b [3.6047]
_cell_length_c [6.9114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AlS3Cl]
_chemical_formula_sum '[Al1 S3 Cl1]'
_cell_volume [138.2836]
_cell_formula_units_Z [1]
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  0.9834  0.5000  0.5998  1
  S  S1  1  0.1948  0.0000  0.7835  1
  S  S2  1  0.5669  0.0000  0.8529  1
  S  S3  1  0.6874  0.0000  0.5809  1
  Cl  Cl4  1  0.0574  0.5000  0.3086  1
]