LaMnO3:                                 
   7.88000000000000     
     1.0018999227986192    0.0038482099567495   -0.0028436062988265
     0.0037411380814263    1.0017708299597605   -0.0028005950923333
    -0.0030026437893151   -0.0031007355904241    1.0065368540462025
   La   Mn   O 
     8     8    24
Direct
  0.0163877171678495  0.0225229586539551  0.0053440639307855
  0.5250222747657097  0.0139287139479177  0.0052243981515354
  0.0249683835758216  0.5139797567074150  0.0052171133897778
  0.9886636133561714  0.9775037212393465  0.5049093620350726
  0.5162940477183976  0.5224600161531446  0.0050855566391401
  0.4800485297422006  0.9860518738764287  0.5047583469857662
  0.9800361347310452  0.4861215785427929  0.5047493550313789
  0.4885564728164182  0.4774389014330739  0.5046755029283794
  0.2525107532818097  0.2500041036483274  0.2550301235476051
  0.7524976871250948  0.2499876483715863  0.2549670232098837
  0.2525007947220173  0.7499985117377218  0.2549824500236587
  0.7525105561781884  0.7500103388976347  0.2550236178108632
  0.2525167348178305  0.2499908666725890  0.7550085592766267
  0.7525123935446186  0.2499989566701691  0.7549913717482492
  0.2525147042898319  0.7499982075637323  0.7550037080595660
  0.7525115036675737  0.7499963345281924  0.7549944448582685
  0.2840071356968449  0.1998457793599113  0.0190443690441400
  0.2201050942428615  0.9987952095538246  0.3004753239083214
  0.0039162554096035  0.2823879026916660  0.2096079922703865
  0.7024164320882301  0.2814910571767924  0.0190093280266908
  0.7848390858410821  0.0012640506098268  0.2095066381175213
  0.5010707092469692  0.2176411420337460  0.3003976305327126
  0.2022591448414482  0.7814992654103091  0.0191013924064772
  0.2848847594851190  0.5012081998038734  0.2095263308897380
  0.0013047866175097  0.7176560666046864  0.3004652695796075
  0.7839092586778722  0.6998145571291037  0.0189544722720598
  0.7201495074215424  0.4987483950493221  0.3005032389379376
  0.5036868263318706  0.7823445381466799  0.2095221480433862
  0.2209885770577434  0.3001503810332872  0.4909311169057765
  0.2181744292793674  0.9993908584480815  0.7153696802893641
  0.0031007214344219  0.2843618812176279  0.7945468754235967
  0.8025764682967264  0.2185224494195381  0.4910132097305119
  0.7869722252982780  0.0004598359599790  0.7946018101013903
  0.5019179944481287  0.2156401331345167  0.7154621558218467
  0.3027271722423130  0.7184837924183065  0.4909050558150098
  0.2868115693175218  0.5005988034534289  0.7946560598116658
  0.0020897613208667  0.7155832534544339  0.7153524916911780
  0.7210924940303696  0.8001821422222065  0.4910141995271303
  0.7180212417563323  0.4995372818723705  0.7154147548943549
  0.5029260481163919  0.7844005351524611  0.7946534583326360
 
  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
  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
  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
