unknown system                          
           1
     4.905403    0.000000    0.000000
     2.452701    4.248204    0.000000
     0.000000    0.000000   20.217468
   C 
     8
unknown system                          
           1
     4.905403    0.000000    0.000000
     2.452701    4.248204    0.000000
     0.000000    0.000000   20.217468
   C 
     8
Direct configuration=     1
   0.16085761  0.16415682  0.50103563
   0.32570001  0.33462747  0.50213801
   0.17256291  0.67110139  0.50222330
   0.33833050  0.83429719  0.49751355
   0.65940239  0.16526512  0.49955689
   0.83519872  0.32735752  0.49784484
   0.67215850  0.66898988  0.49923621
   0.83266672  0.83769358  0.49868373
