# Poscar file from str.out              
   1.00000000000000     
    -4.9800115493761545   -2.8914655564267151    5.8706914956247820
     4.9803436830194006    2.8278779282575548    5.8406971065715654
    -4.9804009696639699    2.8915646355400595   -5.8709548409884738
   Mo   S    Ti
     3    12     3
Direct
 -0.0338474356595152 -0.0000419105651727 -0.0339132102959134
  0.6800662939714048  0.0000340235453948  0.6800649851128239
  0.5234425750279450  0.4999847740303412  0.0234235332868288
  0.8030001135604321  0.4651599066631013  0.0034924629509239
  0.8727598462630319  0.5453804189022514  0.6649475052342166
  0.4597457473075789  0.4580412640838797  0.6744905699204525
  0.5383367270997154  0.5348798962152661  0.3378670476198980
  0.1195836847764570  0.4546045602675317  0.3273753729138505
  0.2164520056708590  0.5419885832502414  0.0017080095676612
  0.2778758183872666  0.9555346501746704 -0.0009879939225054
  0.3762132963128464  0.0392550687471565  0.6677968258201556
  0.9640581343427346  0.9611992735302926  0.6544387552681843
  0.0434878056924961  0.0444998947114101  0.3223577014441309
  0.6285403933515322  0.9607715234363889  0.3369868497013599
  0.6932336264597605  0.0387974525210964  0.0028566293442721
  0.3402617841352517  0.0000146430853937  0.3402688051158933
  0.1693192112861892  0.5000102006458028  0.6692946964155618
  0.8275753720140190  0.4999907767549445  0.3275314545022048
 
  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
