# Poscar file from str.out              
   1.00000000000000     
     1.6297172983222508    8.5862377211882368    0.0047580459828584
    -1.6297172983222508    8.5862377211882368    0.0047580459828584
     0.0000000000000000   -5.7176824773996442   12.2429907841084518
   Mo   S    Ti
     2    12     4
Direct
  0.1961337062065935  0.1961337062065935  0.2529013409152930
  0.8048767674094982  0.8048767674094982  0.7503235744266192
  0.3176792595848828  0.3176792595848828  0.6265418143592937
  0.6834314777081356  0.6834314777081356  0.3766576583870315
  0.6009146385970484  0.6009146385970484  0.1293478725461176
  0.4000194859851841  0.4000194859851841  0.8739215821741301
  0.6539394602666581  0.6539394602666581  0.6264871452214816
  0.0135567725138041  0.0135567725138041  0.3758640636293851
  0.9317122673470000  0.9317122673470000  0.1305075286680899
  0.7363856196113611  0.7363856196113611  0.8742014343069040
  0.9875855462489518  0.9875855462489518  0.6276574067466556
  0.3470813377581034  0.3470813377581034  0.3767259418156519
  0.2647915401586230  0.2647915401586230  0.1291588939572133
  0.0694654220103180  0.0694654220103180  0.8729826606426904
  0.5296150908584317  0.5296150908584317  0.2533127863459648
  0.1415399715822819  0.1415399715822819  0.7502193046369007
  0.8597314220327694  0.8597314220327694  0.2530386517941242
  0.4715402141203602  0.4715402141203602  0.7501503394263905
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
