data_[Al6S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3990]
_cell_length_b [3.3196]
_cell_length_c [5.4037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5832]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3(SO)2]
_chemical_formula_sum '[Al6 S4 O4]'
_cell_volume [188.7996]
_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  4  0.2439  0.0000  0.7134  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1027  0.5000  0.8283  1
  O  O3  4  0.1725  0.0000  0.3334  1
]