 Li H S
   1.0
     6.1041876100000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.5035876999999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.4281714499999998
 Li H S
   4   4   4
Direct
   0.0000000000000000  0.0000000000000000  0.5027344700000000
   0.5000000000000000  0.0000000000000000  0.5027344700000000
   0.0000000000000000  0.5000000000000000  0.0027344700000000
   0.5000000000000000  0.5000000000000000  0.0027344700000000
   0.7500000000000000  0.4348999200000000  0.5570737400000000
   0.2500000000000000  0.5651000800000000  0.5570737400000000
   0.7500000000000000  0.9348999200000000  0.0570737400000000
   0.2500000000000000  0.0651000800000000  0.0570737400000000
   0.2500000000000000  0.7363960600000000  0.7371918000000000
   0.7500000000000000  0.2636039400000000  0.7371918000000000
   0.2500000000000000  0.2363960600000000  0.2371918000000000
   0.7500000000000000  0.7636039400000000  0.2371918000000000