Ba   Ti   O    H 
1
   8.0860868024084507   0.0000002572668821  -0.0000207719461485
   0.0000002594149920   8.1588063117576901  -0.0030501173545432
   0.0000217428473692  -0.0030004474861452   8.1573401567524808
Ba   Ti   O    H 
8  8  22  1  
Direct
  0.0062324401780254  0.9957892773958680  0.9931687109883740  
  0.0063640832695628  0.9951815779993770  0.4982753956879760  
  0.4975638760696800  0.9957890473587430  0.9931684284203530  
  0.0063544713170441  0.5008808895188830  0.9925718212613850  
  0.0064357942759140  0.5015981959801700  0.4989850164553730  
  0.4974321102908360  0.9951814115019950  0.4982755828675980  
  0.4974419949042980  0.5008810456218870  0.9925716101620020  
  0.4973605614349410  0.5015982797309509  0.4989851402642620  
  0.2518977129801680  0.2499858895122660  0.2473733982466200  
  0.7518973951153670  0.7466349157093680  0.7440111093835380  
  0.7518975836786780  0.7641473840749570  0.2454819643595760  
  0.2518980450875380  0.2476240239055660  0.7438609045769889  
  0.7518975936625910  0.2481047698465230  0.7615135854101220  
  0.2518981258946970  0.7464749262222500  0.2450084295481590  
  0.2518974295458070  0.7484708230824880  0.7458610871434040  
  0.7518967330901341  0.2445872663071440  0.2420052523239440  
  0.2518974106296780  0.2477234187862850  0.9957196398110890  
  0.7518973064320830  0.7416128495308750  0.9960428693354930  
  0.7518968238600570  0.2495396998530910  0.9904647451219840  
  0.2518975627159370  0.7481838208864100  0.9956086556063860  
  0.9981439576700331  0.2550651585292000  0.2524687185323940  
  0.0013674940260156  0.7480355400942880  0.7454281338411930  
  0.9987236054260570  0.7415246206177850  0.2443073265912740  
  0.9987220188855070  0.2469170958352490  0.7389044653710580  
  0.2518974719672630  0.9983270502155110  0.2451119020856940  
  0.7518974343586941  0.9986461866705850  0.7390102541179820  
  0.2518974977357280  0.9982176878244780  0.7455757486013900  
  0.7518968451130670  0.9930650245753020  0.2469341386391910  
  0.2518972814547950  0.2475880506502110  0.4952811244524710  
  0.7518972367301240  0.7408371367534390  0.4912883016038760  
  0.2518976267527850  0.7481970955036420  0.4946765746127730  
  0.5056497015869370  0.2550651895838770  0.2524686255344330  
  0.5024277083327100  0.7480355530121910  0.7454280785319060  
  0.5050709985907610  0.7415245266106090  0.2443073497862380  
  0.5050725719322050  0.2469169681357150  0.7389043241996590  
  0.2518973368018160  0.4978893140897360  0.2449764988229850  
  0.7518973603975480  0.4938850692015310  0.7382299466344140  
  0.2518975872116790  0.4972847661646120  0.7455895035976891  
  0.7518966546090070  0.3736068486703190  0.3710211965525120  
