# Poscar file from str.out              
   1.00000000000000     
     8.3182575336544957    2.8951298383713642    5.8582630015192541
     6.6663846124545634    5.7562578333713361    5.8582630008301262
    -5.0378336065767462   -2.9085947551187536    5.9241599430112224
   Mo   S    Ti
     2    10     3
Direct
  0.7880873355584872  0.7880873355832433  0.4173787639033704
  0.2119147745901570  0.2119147745654721  0.5826373294767866
  0.5826399249293431  0.5826404249168710  0.0742124998735795
  0.2110478825267756  0.2110473825180194  0.2969549327330135
  0.7889552385523894  0.7889557385611313  0.7030619592768568
  0.4173667611630294  0.4173662611754875  0.9258029670795258
  0.9803325593239232  0.9803330593197528  0.2797093857206345
  0.6223012820005412  0.6223007819424980  0.5146925140708762
  0.1853358297930829  0.1853363297530008  0.8727818868388252
  0.8146687801177785  0.8146682801578251  0.1272335581578122
  0.3777022278869923  0.3777027279450213  0.4853205816319182
  0.0196722349671371  0.0196717349712578  0.7203035116920092
  0.0000047483154311  0.0000047483154524  0.0000057235711197
  0.3954085705356833  0.3954085705062858  0.2088206062885291
  0.6045968497392452  0.6045968497686781  0.7911887796851482
 
  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
