# generated using pymatgen
data_Li3PS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17176593
_cell_length_b   8.01859859
_cell_length_c   13.03281824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3PS4
_chemical_formula_sum   'Li12 P4 S16'
_cell_volume   644.98001564
_cell_formula_units_Z   4
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  0.38940176  0.03349734  0.33254575  1
  Li  Li1  1  0.61059824  0.96650266  0.66745425  1
  Li  Li2  1  0.88940176  0.96650266  0.16745425  1
  Li  Li3  1  0.11059824  0.03349734  0.83254575  1
  Li  Li4  1  0.61059824  0.53349734  0.66745425  1
  Li  Li5  1  0.38940176  0.46650266  0.33254575  1
  Li  Li6  1  0.11059824  0.46650266  0.83254575  1
  Li  Li7  1  0.88940176  0.53349734  0.16745425  1
  Li  Li8  1  0.50000000  -0.00000000  -0.00000000  1
  Li  Li9  1  -0.00000000  -0.00000000  0.50000000  1
  Li  Li10  1  0.50000000  0.50000000  -0.00000000  1
  Li  Li11  1  -0.00000000  0.50000000  0.50000000  1
  P  P12  1  0.15238914  0.25000000  0.08946782  1
  P  P13  1  0.84761086  0.75000000  0.91053218  1
  P  P14  1  0.65238914  0.75000000  0.41053218  1
  P  P15  1  0.34761086  0.25000000  0.58946782  1
  S  S16  1  0.82467616  0.25000000  0.10018968  1
  S  S17  1  0.17532384  0.75000000  0.89981032  1
  S  S18  1  0.32467616  0.75000000  0.39981032  1
  S  S19  1  0.67532384  0.25000000  0.60018968  1
  S  S20  1  0.27242266  0.25000000  0.94066789  1
  S  S21  1  0.72757734  0.75000000  0.05933211  1
  S  S22  1  0.77242266  0.75000000  0.55933211  1
  S  S23  1  0.22757734  0.25000000  0.44066789  1
  S  S24  1  0.27096483  0.03652390  0.15386116  1
  S  S25  1  0.72903517  0.96347610  0.84613884  1
  S  S26  1  0.77096483  0.96347610  0.34613884  1
  S  S27  1  0.22903517  0.03652390  0.65386116  1
  S  S28  1  0.72903517  0.53652390  0.84613884  1
  S  S29  1  0.27096483  0.46347610  0.15386116  1
  S  S30  1  0.22903517  0.46347610  0.65386116  1
  S  S31  1  0.77096483  0.53652390  0.34613884  1
