# Poscar file from str.out              
   1.00000000000000     
    -1.6747234511344149   -2.9007062771179242    0.0000000000000000
     3.3494469022688298    0.0000000000000000   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000   17.3174313999641889
   Mo   S    Ti
     1     6     2
Direct
  0.0000000000000000  0.0000000000000000  0.3333539414402494
  0.3333330000000032  0.6666664999999981  0.0825868756517980
  0.6666670000003379  0.3333335000001725  0.2477783433885734
  0.3333330000000032  0.6666664999999981  0.4189257498268999
  0.6666670000003379  0.3333335000001725  0.5840487261290541
  0.3333330000000032  0.6666664999999981  0.7489148640462442
  0.6666670000003379  0.3333335000001725  0.9177150629698650
  0.0000000000000000  0.0000000000000000  0.6667650961394960
  0.0000000000000000  0.0000000000000000 -0.0000536595921759
 
  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
