# generated using pymatgen
data_LiAl(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23430541
_cell_length_b   6.23430541
_cell_length_c   12.36906159
_cell_angle_alpha   87.42908259
_cell_angle_beta   87.42908259
_cell_angle_gamma   113.31352764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl(PS3)2
_chemical_formula_sum   'Li2 Al2 P4 S12'
_cell_volume   440.01910940
_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
  Li  Li0  1  0.84740100  0.15259900  0.25000000  1.0
  Li  Li1  1  0.15259900  0.84740100  0.75000000  1.0
  Al  Al2  1  0.48342000  0.51658000  0.25000000  1.0
  Al  Al3  1  0.51658000  0.48342000  0.75000000  1.0
  P  P4  1  0.01176700  0.68876400  0.22053400  1.0
  P  P5  1  0.31123600  0.98823300  0.27946600  1.0
  P  P6  1  0.98823300  0.31123600  0.77946600  1.0
  P  P7  1  0.68876400  0.01176700  0.72053400  1.0
  S  S8  1  0.80710000  0.79763100  0.12797800  1.0
  S  S9  1  0.20236900  0.19290000  0.37202200  1.0
  S  S10  1  0.19290000  0.20236900  0.87202200  1.0
  S  S11  1  0.79763100  0.80710000  0.62797800  1.0
  S  S12  1  0.80927500  0.50462700  0.35502400  1.0
  S  S13  1  0.49537300  0.19072500  0.14497600  1.0
  S  S14  1  0.19072500  0.49537300  0.64497600  1.0
  S  S15  1  0.50462700  0.80927500  0.85502400  1.0
  S  S16  1  0.18045800  0.52159000  0.13377400  1.0
  S  S17  1  0.47841000  0.81954200  0.36622600  1.0
  S  S18  1  0.81954200  0.47841000  0.86622600  1.0
  S  S19  1  0.52159000  0.18045800  0.63377400  1.0
