# generated using pymatgen
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51315600
_cell_length_b   7.37133145
_cell_length_c   20.98453182
_cell_angle_alpha   98.81041092
_cell_angle_beta   91.85870562
_cell_angle_gamma   112.76414654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2S3
_chemical_formula_sum   'Al12 S18'
_cell_volume   913.38122849
_cell_formula_units_Z   6
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  0.18075200  0.51072800  0.19245900  1.0
  Al  Al1  1  0.14850100  0.17809800  0.74453900  1.0
  Al  Al2  1  0.59835200  0.25298500  0.35855400  1.0
  Al  Al3  1  0.75545900  0.47667600  0.10795000  1.0
  Al  Al4  1  0.62398400  0.46431400  0.42991900  1.0
  Al  Al5  1  0.14705100  0.94091500  0.18818000  1.0
  Al  Al6  1  0.56995800  0.08852900  0.51696700  1.0
  Al  Al7  1  0.07142600  0.08239900  0.62651900  1.0
  Al  Al8  1  0.52133100  0.91004900  0.12066500  1.0
  Al  Al9  1  0.87803800  0.31942500  0.01789700  1.0
  Al  Al10  1  0.03491900  0.03495900  0.32489600  1.0
  Al  Al11  1  0.11707900  0.74971400  0.67885400  1.0
  S  S12  1  0.69893700  0.06663100  0.65246300  1.0
  S  S13  1  0.35024900  0.34832200  0.63796100  1.0
  S  S14  1  0.92149300  0.63030900  0.16487400  1.0
  S  S15  1  0.93962200  0.64566200  0.99775600  1.0
  S  S16  1  0.84760000  0.81547600  0.28415800  1.0
  S  S17  1  0.53643200  0.85525000  0.61324700  1.0
  S  S18  1  0.66069700  0.02613200  0.01125700  1.0
  S  S19  1  0.89405000  0.41462900  0.46654400  1.0
  S  S20  1  0.41215400  0.09747600  0.30535800  1.0
  S  S21  1  0.33535000  0.32676500  0.14403200  1.0
  S  S22  1  0.24121200  0.14256700  0.52047300  1.0
  S  S23  1  0.48242500  0.90338200  0.45412300  1.0
  S  S24  1  0.29386800  0.07807700  0.81587400  1.0
  S  S25  1  0.92944400  0.38143700  0.74373400  1.0
  S  S26  1  0.01887100  0.35111600  0.30304400  1.0
  S  S27  1  0.84370100  0.19082300  0.12029700  1.0
  S  S28  1  0.75377000  0.80885700  0.43652900  1.0
  S  S29  1  0.60151300  0.31653900  0.81675700  1.0