 S Ti Cu
   1.0
     5.3437318100000004    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.3437318100000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.4520739700000007
 S Ti Cu
   8   2   8
Direct
   0.7464473800000000  0.2535526200000000  0.3739000300000000
   0.2464473800000000  0.2464473800000000  0.1260999700000000
   0.7535526200000000  0.7535526200000000  0.1260999700000000
   0.2535526200000000  0.7464473800000000  0.3739000300000000
   0.2464473800000000  0.7535526200000000  0.8739000299999999
   0.7464473800000000  0.7464473800000000  0.6260999700000001
   0.2535526200000000  0.2535526200000000  0.6260999700000001
   0.7535526200000000  0.2464473800000000  0.8739000299999999
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.2427386600000000
   0.0000000000000000  0.0000000000000000  0.2572613400000000
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.7427386600000000
   0.5000000000000000  0.5000000000000000  0.7572613400000000