Trial TS structure
1.0
   7.948754845851   -0.000049967724   4.901433149086
   -3.974564067268   6.883894310696   4.901254785119
   -3.974438768620   -6.883777142027   4.901245706606
Al C H O Si
1 2 3 25 11
Direct
   0.62848612   0.39020196   0.33941230
   0.36288164   0.94589396   0.59231366
   0.42758700   0.08606810   0.44090475
   0.38521995   0.16746240   0.50939566
   0.35387699   0.01396078   0.36712590
   0.53394788   0.05555254   0.46943474
   0.23383670   0.75907096   0.99926471
   0.17582313   0.47557306   0.95376242
   0.25143428   0.62492408   0.73841260
   0.51763691   0.75477069   0.73236766
   0.02106794   0.34175363   0.14047271
   0.35804237   0.65514737   0.49107130
   0.24853205   0.51747545   0.24123557
   0.40287652   0.76921155   0.25065278
   0.46403989   0.47054569   0.66761133
   0.75864353   0.75765792   0.91311194
   0.32386156   0.85942886   0.68905833
   0.58499859   0.24499254   0.74979789
   0.51845405   0.83441880   0.01369959
   0.27664375   0.26778763   0.08842135
   0.74293017   0.50117935   0.76502281
   0.53321230   0.53566626   0.30950861
   0.79243426   0.25040725   0.96486076
   0.66218192   0.35287152   0.51459701
   0.48986783   0.22401662   0.28665802
   0.65940134   0.00054233   0.84406385
   0.99725337   0.65154960   0.83499460
   0.33973023   0.00395889   0.13856936
   0.51860538   0.17877751   0.00498267
   0.76337083   0.36476411   0.23182904
   0.85543558   0.53458809   0.03798978
   0.16449753   0.62721478   0.88098785
   0.39854648   0.62563842   0.65745894
   0.61309740   0.83529930   0.87512616
   0.37427231   0.83711848   0.09872232
   0.38977842   0.61630578   0.32395651
   0.18006949   0.40397070   0.10694487
   0.61556880   0.39365097   0.67253106
   0.83798928   0.61036800   0.88777481
   0.64096697   0.16866303   0.89047296
   0.40196983   0.16620429   0.11945109
   0.85497734   0.37373749   0.09656525
