 Li H S
   1.0
     6.1048472299999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.8669274599999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.7249184499999997
 Li H S
   4   4   4
Direct
   0.7500032900000000  0.4960873600000000  0.2471382700000000
   0.2499967100000000  0.4960873600000000  0.2471382700000000
   0.2499967100000000  0.5039126400000000  0.7471382700000000
   0.7500032900000000  0.5039126400000000  0.7471382700000000
   0.0000000000000000  0.9998222900000000  0.9375852700000000
   0.0000000000000000  0.0001777100000000  0.4375852700000000
   0.5000000000000000  0.1134859800000000  0.5008804200000000
   0.5000000000000000  0.8865140200000000  0.0008804200000000
   0.0000000000000000  0.0043299400000000  0.7617865600000000
   0.0000000000000000  0.9956700600000000  0.2617865600000000
   0.5000000000000000  0.4645638800000000  0.4980812300000000
   0.5000000000000000  0.5354361200000000  0.9980812300000000