# Poscar file from str.out              
   1.00000000000000     
     1.6345356335833119   -2.9357795853258875   -5.8148000433937268
     5.0167793335168041    2.8967500287978316    0.0499655057767331
     3.4045616733079731   -5.7930566535725285    5.8142964449291030
   Mo   S    Ti
     2    12     4
Direct
  0.8043192623208409  0.4992989603027894  0.8048608298689568
  0.5291622351573185  0.5003767345708594  0.5284381162250438
  0.3376054696774167  0.1657592705726791  0.5854461792873162
  0.1545169587320298  0.3392724848775001  0.9151400108399909
  0.4841555423856780  0.6730537490235285  0.7576887238460533
  0.3289677322037843  0.8382240312779095  0.0859236562529308
  0.0040960266904636  0.1617040078360903  0.2477452735957124
  0.8496225003004387  0.3270863204656577  0.5754562135403483
  0.1785943982240666  0.6608807934998123  0.4188583680254220
  0.9960107964475898  0.8340929877143727  0.7480446055696572
  0.6645589210113211  0.1662119621314308  0.9136086542475856
  0.4982044902553851  0.3387686929795465  0.2583554138520374
  0.8353099823854671  0.6609508230432901  0.0748671810951052
  0.6686509684888321  0.8334515439633723  0.4192532663735210
  0.9975919698078269  0.9993843148243402  0.9981985137429282
  0.6667414622337331  0.0000172957724479  0.6659734648684881
  0.1668865781238879  0.5002980300018075  0.1675816205279730
  0.3348647055540958  0.0011679971423741  0.3346299082411014
 
  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
