# generated using pymatgen
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54983833
_cell_length_b   6.54983793
_cell_length_c   17.15362972
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2S3
_chemical_formula_sum   'Al12 S18'
_cell_volume   637.30566156
_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  0.65785954  0.01044406  0.54951875  1.0
  Al  Al1  1  0.69973446  0.00588274  0.18393074  1.0
  Al  Al2  1  0.00588274  0.30614828  0.01726474  1.0
  Al  Al3  1  0.98955594  0.64741648  0.88285275  1.0
  Al  Al4  1  0.01044406  0.35258352  0.38285275  1.0
  Al  Al5  1  0.99411726  0.69385172  0.51726474  1.0
  Al  Al6  1  0.64741648  0.65785954  0.71618575  1.0
  Al  Al7  1  0.69385172  0.69973446  0.35059774  1.0
  Al  Al8  1  0.30614828  0.30026554  0.85059774  1.0
  Al  Al9  1  0.30026554  0.99411726  0.68393074  1.0
  Al  Al10  1  0.35258352  0.34214046  0.21618575  1.0
  Al  Al11  1  0.34214046  0.98955594  0.04951875  1.0
  S  S12  1  0.34021749  0.34355075  0.34828432  1.0
  S  S13  1  0.66593464  0.95809859  0.04031584  1.0
  S  S14  1  0.04190141  0.70783605  0.37364984  1.0
  S  S15  1  0.65282959  0.69893652  0.49530236  1.0
  S  S16  1  0.33406536  0.04190141  0.54031584  1.0
  S  S17  1  0.65978251  0.65644925  0.84828432  1.0
  S  S18  1  0.65644925  -0.00333526  0.68161732  1.0
  S  S19  1  0.30106348  0.95389307  0.82863636  1.0
  S  S20  1  0.04610693  0.34717041  0.16196936  1.0
  S  S21  1  0.95389307  0.65282959  0.66196936  1.0
  S  S22  1  0.34355075  0.00333526  0.18161732  1.0
  S  S23  1  0.69893652  0.04610693  0.32863636  1.0
  S  S24  1  0.70783605  0.66593464  0.20698284  1.0
  S  S25  1  0.00333526  0.65978251  0.01495132  1.0
  S  S26  1  0.34717041  0.30106348  0.99530236  1.0
  S  S27  1  0.95809859  0.29216395  0.87364984  1.0
  S  S28  1  0.29216395  0.33406536  0.70698284  1.0
  S  S29  1  -0.00333526  0.34021749  0.51495132  1.0