# generated using pymatgen
data_Li7PS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17336996
_cell_length_b   9.85700721
_cell_length_c   14.16857297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7PS6
_chemical_formula_sum   'Li28 P4 S24'
_cell_volume   1001.83088254
_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  0.24317745  0.19212763  0.32073255  1
  Li  Li1  1  0.75682255  0.69212763  0.67926745  1
  Li  Li2  1  0.25682255  0.19212763  0.82073255  1
  Li  Li3  1  0.74317745  0.69212763  0.17926745  1
  Li  Li4  1  0.97594137  0.46573049  0.26548100  1
  Li  Li5  1  0.02405863  0.96573049  0.73451900  1
  Li  Li6  1  0.52405863  0.46573049  0.76548100  1
  Li  Li7  1  0.47594137  0.96573049  0.23451900  1
  Li  Li8  1  0.17167781  0.33139309  0.02645213  1
  Li  Li9  1  0.82832219  0.83139309  0.97354787  1
  Li  Li10  1  0.32832219  0.33139309  0.52645213  1
  Li  Li11  1  0.67167781  0.83139309  0.47354787  1
  Li  Li12  1  0.04925800  0.02014393  0.10911286  1
  Li  Li13  1  0.95074200  0.52014393  0.89088714  1
  Li  Li14  1  0.45074200  0.02014393  0.60911286  1
  Li  Li15  1  0.54925800  0.52014393  0.39088714  1
  Li  Li16  1  0.44540182  0.98363714  0.04270389  1
  Li  Li17  1  0.55459818  0.48363714  0.95729611  1
  Li  Li18  1  0.05459818  0.98363714  0.54270389  1
  Li  Li19  1  0.94540182  0.48363714  0.45729611  1
  Li  Li20  1  0.39411709  0.38265245  0.21730490  1
  Li  Li21  1  0.60588291  0.88265245  0.78269510  1
  Li  Li22  1  0.10588291  0.38265245  0.71730490  1
  Li  Li23  1  0.89411709  0.88265245  0.28269510  1
  Li  Li24  1  0.64646814  0.17104132  0.12775301  1
  Li  Li25  1  0.35353186  0.67104132  0.87224699  1
  Li  Li26  1  0.85353186  0.17104132  0.62775301  1
  Li  Li27  1  0.14646814  0.67104132  0.37224699  1
  P  P28  1  0.23187300  0.68484089  0.11469638  1
  P  P29  1  0.76812700  0.18484089  0.88530362  1
  P  P30  1  0.26812700  0.68484089  0.61469638  1
  P  P31  1  0.73187300  0.18484089  0.38530362  1
  S  S32  1  0.23697199  0.43018815  0.36917767  1
  S  S33  1  0.76302801  0.93018815  0.63082233  1
  S  S34  1  0.26302801  0.43018815  0.86917767  1
  S  S35  1  0.73697199  0.93018815  0.13082233  1
  S  S36  1  0.72041667  0.30486326  0.26766871  1
  S  S37  1  0.27958333  0.80486326  0.73233129  1
  S  S38  1  0.77958333  0.30486326  0.76766871  1
  S  S39  1  0.22041667  0.80486326  0.23233129  1
  S  S40  1  0.30430057  0.16830314  0.14436361  1
  S  S41  1  0.69569943  0.66830314  0.85563639  1
  S  S42  1  0.19569943  0.16830314  0.64436361  1
  S  S43  1  0.80430057  0.66830314  0.35563639  1
  S  S44  1  0.51097099  0.05197377  0.39522568  1
  S  S45  1  0.48902901  0.55197377  0.60477432  1
  S  S46  1  0.98902901  0.05197377  0.89522568  1
  S  S47  1  0.01097099  0.55197377  0.10477432  1
  S  S48  1  0.97409999  0.07164991  0.38596096  1
  S  S49  1  0.02590001  0.57164991  0.61403904  1
  S  S50  1  0.52590001  0.07164991  0.88596096  1
  S  S51  1  0.47409999  0.57164991  0.11403904  1
  S  S52  1  0.21225673  0.81095485  0.99921030  1
  S  S53  1  0.78774327  0.31095485  0.00078970  1
  S  S54  1  0.28774327  0.81095485  0.49921030  1
  S  S55  1  0.71225673  0.31095485  0.50078970  1
