# Poscar file from str.out              
   1.00000000000000     
    -1.6395775393096876    2.9338515961431879    5.8171544693506334
    -6.6992836289732516    0.0006938414429120   -0.0391859428689718
    -3.3134037252859079   -5.7891446514285638    5.7693406671042853
   Mo   S    Ti
     2    12     4
Direct
  0.0277639851225527  0.0279270713262232 -0.0299417454483346
  0.3060475980445311  0.3064096308522342  0.6961274903385234
  0.3851904977919057  0.4709464259996086  0.8642187679436432
  0.6241018962111352  0.0255001381435714  0.1356956843054948
  0.4053395295377017  0.9615569650315876  0.8656613618112395
  0.6156681447717325  0.5240126694790630  0.1396830522637870
  0.7177266053180611  0.8093254667160837  0.5272477214856897
  0.9285652159168728  0.3719950531456964  0.8005346269913148
  0.7102105030955465  0.3072278054517032  0.5310978263399772
  0.9482615125844098  0.8622805088965093  0.8023354098380235
  0.0530152983339865  0.6487340482554027  0.1897483846193642
  0.2782457991894368  0.1915141621857714  0.4757577501923180
  0.0553259223664505  0.1417465076376100  0.1904968349209354
  0.2793733197709204  0.6850917148047111  0.4767707779320594
  0.0008745389781297  0.5063505087595318  0.0035732611360446
  0.3327013730149446  0.8288762342611901  0.6632016596703684
  0.6666508610520886  0.1658333804651796  0.3326783133680177
  0.6650773988993832  0.6646017085882708  0.3351828222917553
 
  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
