 Li S Au
   1.0
     5.7071440899999999    0.0000000000000000    0.0000000000000000
     0.0000000000000000   11.1581112000000005    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.2559300000000002
 Li S Au
  12   8   4
Direct
   0.5000000000000000  0.2747678100000000  0.7500000000000000
   0.0000000000000000  0.2252321900000000  0.2500000000000000
   0.0000000000000000  0.2252321900000000  0.7500000000000000
   0.5000000000000000  0.2747678100000000  0.2500000000000000
   0.0000000000000000  0.5000000000000000  0.7500000000000000
   0.0000000000000000  0.5000000000000000  0.2500000000000000
   0.0000000000000000  0.7747678099999999  0.2500000000000000
   0.5000000000000000  0.7252321900000001  0.7500000000000000
   0.5000000000000000  0.7252321900000001  0.2500000000000000
   0.0000000000000000  0.7747678099999999  0.7500000000000000
   0.5000000000000000  0.0000000000000000  0.2500000000000000
   0.5000000000000000  0.0000000000000000  0.7500000000000000
   0.7953053200000000  0.3584628100000000  0.0000000000000000
   0.2953053200000000  0.1415371900000000  0.0000000000000000
   0.2046946800000000  0.3584628100000000  0.5000000000000000
   0.7046946800000000  0.1415371900000000  0.5000000000000000
   0.2953053200000000  0.8584628100000000  0.5000000000000000
   0.7953053200000000  0.6415371900000000  0.5000000000000000
   0.7046946800000000  0.8584628100000000  0.0000000000000000
   0.2046946800000000  0.6415371900000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000