# Poscar file from str.out              
   1.00000000000000     
     1.6469998016088450   -2.8526875005053642    0.0000000000439166
    -0.0010959592328471   -0.0006327523465800   -5.8552730592110613
     4.9628697264819301    2.8653143356059587    0.0001208992802527
   Mo   Ti   S 
     1     1     4
Direct
  0.4999999999999994 -0.0000083603956662  0.4999986824386726
  0.0000000000000002 -0.0000139708865671 -0.0000014111536328
  0.4999997500049339  0.7483923201254549  0.1655149114618250
  0.0000002500027454  0.2552050321902630  0.3325287960371090
  0.9999997499975141  0.7447722159262378  0.6674714291210138
  0.5000002499950630  0.2515827630402698  0.8344875920949273
 
  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
