# Poscar file from str.out              
   1.00000000000000     
     3.2446595456524325   -0.0000000000000000    0.0000000000000000
    -1.6223297728262163   -2.8099569592066942    0.0000000000000000
    -0.0000000000000000   -0.0000000000000000  -12.3452536205451580
   Ti   Mo   S 
     1     1     4
Direct
  0.6666664999999981  0.3333330000000032  0.7465533995437591
  0.3333335000001796  0.6666670000003663  0.2500007613795873
  0.6666664999999981  0.3333330000000032  0.3738286396644675
  0.3333335000001796  0.6666670000003663  0.6239433953430527
  0.3333335000001796  0.6666670000003663  0.8695391086958701
  0.6666664999999981  0.3333330000000032  0.1261346953708707
 
  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
