LaMnO3:                                 
   7.88000000000000     
     1.0099710170639999    0.0064349153489478   -0.0051272226965664
     0.0063607716822378    1.0039391269875162   -0.0054856251362260
    -0.0052692599795473   -0.0057391316637142    1.0142245408986101
   La   Mn   O 
     8     8    24
Direct
  0.0173004294274787  0.0243140827564410  0.0063242846687198
  0.5278477235735649  0.0167461498061606  0.0080570531692351
  0.0255014965605758  0.5155664007914297  0.0044536659342231
 -0.0125597047035601  0.9726637203857174  0.5041151377777300
  0.5175701063112189  0.5272432729791174  0.0059200681137570
  0.4794527781436074 -0.0155656533438758  0.5055702607794345
  0.9771373799093632  0.4832285910997914  0.5019992745860141
  0.4876637260176964  0.4757191586870598  0.5037453741354020
  0.2524907832389880  0.2500219970849002  0.2550089556825938
  0.7524858783532873  0.2499879524719185  0.2550178655172616
  0.2524660054002085  0.7499966653516401  0.2550023641079661
  0.7524756923060010  0.7499635055554826  0.2550256374320399
  0.2525144832644987  0.2499978510372740  0.7549746788634074
  0.7525096387295697  0.2499753472743898  0.7549880538427530
  0.2525263020410958  0.7499767798323831  0.7550023456698188
  0.7525238217449607  0.7500166637295632  0.7550200555355581
  0.2809999839859722  0.1971549641349450  0.0221721370448206
  0.2150491643784941 -0.0011225326430613  0.3026802026171601
  0.9912022386283310  0.2933874178703780  0.2080741964988440
  0.6969177982602914  0.2835978227712058  0.0208683347411826
  0.7944350829315706  0.0133780660068263  0.2049020784260251
  0.5137619349504590  0.2066307664753754  0.3019515527937747
  0.1972961198447038  0.7808310557558416  0.0213911178889040
  0.2899233764426516  0.5011130026631796  0.2072858072893326
  0.9900960803953213  0.7117874495951938  0.3055240605259114
  0.7865870460533266  0.6960154263556009  0.0156682257464915
  0.7104922918771425  0.4865943084405854  0.3050597478218414
  0.5148771432755794  0.7881582462670886  0.2045108203258346
  0.2240119214811550  0.3029771840131186  0.4878287264393854
  0.2189513377971565 -0.0033719638688392  0.7145767333854581
  0.0027203295215728  0.2825368705742530  0.7946579501181978
  0.8081006791602831  0.2163237167411521  0.4891210431756981
  0.7857587630402439 -0.0039530893969672  0.7965880987989624
  0.5023187821348564  0.2175490999849703  0.7152391671171180
  0.3076571327664652  0.7191576620626373  0.4885941947083129
  0.2861862790569722  0.5034084746498425  0.7953581862323197
  0.0044807479590018  0.7154912006815607  0.7110425701776947
  0.7183813467229819  0.8039893218411321  0.4943507971335998
  0.7193553637991454  0.5039158829106160  0.7134558470829320
  0.5005325152177627  0.7845971606139713  0.7988733280942923
 
  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
