 Li Br N
   1.0
     6.1605969500000004    0.0000000000000000   -0.0108033900000000
     0.0000000000000000    6.2976123700000004    0.0000000000000000
    -6.1224609900000004    0.0000000000000000    8.8590341200000005
 Li Br N
  12   6   2
Direct
   0.7044540100000001  0.5707540900000000  0.2997413000000000
   0.7722168700000001  0.1637533100000000  0.0297585900000000
   0.2277831300000000  0.8362466900000000  0.9702414100000000
   0.7722168700000001  0.3362466900000000  0.5297585899999999
   0.2277831300000000  0.6637533099999999  0.4702414100000000
   0.0850518300000000  0.2387328300000000  0.9237746800000000
   0.2955459900000000  0.0707540900000000  0.2002587000000000
   0.0850518300000000  0.2612671700000000  0.4237746800000000
   0.2955459900000000  0.4292459100000000  0.7002587000000000
   0.7044540100000001  0.9292459100000000  0.7997413000000000
   0.9149481699999999  0.7612671700000000  0.0762253200000000
   0.9149481699999999  0.7387328300000000  0.5762253200000000
   0.7466211000000000  0.5221769600000000  0.7411843800000000
   0.2533789000000000  0.4778230400000000  0.2588156200000000
   0.7466211000000000  0.9778230400000000  0.2411843800000000
   0.2533789000000000  0.0221769600000000  0.7588156200000000
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000