 Li S Cr
   1.0
     3.2617837700000001    0.0000000000000000    0.0000000000000000
    -1.6308918900000000    2.8247876100000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.0031553999999998
 Li S Cr
   1   2   1
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.2263827600000000
   0.3333333300000000  0.6666666700000000  0.7736172400000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000