LaMnO3:                                 
   7.88000000000000     
     1.0030814332018032    0.0049991358637565   -0.0017797191423830
     0.0048941776519806    1.0029955533178592   -0.0017038734547393
    -0.0020199365319199   -0.0020750582519363    0.9941984316323430
   La   Mn   O 
     8     8    24
Direct
  0.0172208388736950  0.0224205992725565  0.0052933102709815
  0.5249893791687192  0.0149049428000392  0.0052567507349036
  0.0249500782638212  0.5146645515180917  0.0052576014550320
  0.9877414607041187  0.9774749308063511  0.5047379248974160
  0.5172477864265527  0.5225089067360671  0.0052611885485620
  0.4800452759734338  0.9853529619046358  0.5047304452895797
  0.9800249679436027  0.4851021147394460  0.5047223105737370
  0.4877599912099127  0.4775660105960307  0.5047155710291599
  0.2525058514143644  0.2499995038387063  0.2550152566523600
  0.7524964681730203  0.2499907828869429  0.2549984207860446
  0.2524920990451560  0.7500053394191764  0.2550011614429123
  0.7525084239802602  0.7500038254839565  0.2550059258683836
  0.2525224922908036  0.2500036338290142  0.7549932290716121
  0.7525016731573186  0.2499872002274174  0.7550047228040221
  0.2525062649508801  0.7499921117279452  0.7550050442803140
  0.7525153539282350  0.7500054420882584  0.7550044225139160
  0.2832970140260627  0.2029164862460170  0.0121405974566714
  0.2195406103585296  0.9962216401884448  0.2968765690164319
  0.0062558213393903  0.2829683871309112  0.2132726723345350
  0.7055118595870598  0.2810653724130587  0.0122690705112214
  0.7854656158605798  0.0038314602550306  0.2129966038583188
  0.4987281340221494  0.2170373490868730  0.2967189368198240
  0.2051535115221302  0.7807864382224596  0.0121780185875287
  0.2854560090206918  0.5037715835566625  0.2131187462680247
  0.9986838766517816  0.7170721604445466  0.2971373929191342
  0.7835511059227779  0.7027378507580970  0.0122100954771882
  0.7195230863558956  0.4961647409951126  0.2970036818894105
  0.5062908319679873  0.7829254770525970  0.2128575116171688
  0.2217208832734096  0.2970897730721940  0.4978437423490359
  0.2192380348100680  0.9986959489635762  0.7157885175107881
  0.0037618058683361  0.2832917553425311  0.7942028898474971
  0.7994758092051590  0.2189356722994874  0.4977317948919597
  0.7857760938304303  0.0012417428635256  0.7943988524764346
  0.5012482283174209  0.2167187355090198  0.7158005849234556
  0.2998217001020431  0.7192094765483980  0.4978230805923879
  0.2857668689970231  0.5013109325627851  0.7942266616168698
  0.0012391183720171  0.7167409469355946  0.7155683931688348
  0.7214599590596483  0.7972628024714563  0.4977836091885294
  0.7192351277816981  0.4987660709008839  0.7156113615777373
  0.5037704882438111  0.7832543383061104  0.7944373288820695
 
  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
