LaMnO3:                                 
   7.88000000000000     
     1.0037884062760374    0.0045249092830685   -0.0033695060454236
     0.0044177568117746    1.0037983357971789   -0.0035606732416148
    -0.0035104215609634   -0.0038369301072795    1.0094537556223517
   La   Mn   O 
     8     8    24
Direct
  0.0165869172036873  0.0234095580441937  0.0052249758103627
  0.5258319944319377  0.0142175821805549  0.0052065168714214
  0.0260180998955777  0.5141672469839925  0.0050583928395761
  0.9882137668177954  0.9765826246063199  0.5048629632192045
  0.5168032121674300  0.5234185972566447  0.0051453168256213
  0.4789688028216405  0.9858355321981637  0.5049305241726735
  0.9791584329399211  0.4857928624906210  0.5047804889437083
  0.4884303204516419  0.4765886881586306  0.5047735848209967
  0.2525040808269765  0.2499973058415700  0.2550076458900996
  0.7525058634843936  0.2499973859454021  0.2549970287659639
  0.2525037808983963  0.7499993378562102  0.2549973550699312
  0.7525031598083288  0.7500010483848394  0.2550099028242935
  0.2525175029377422  0.2499986592563428  0.7549981237525436
  0.7525169566393201  0.2499921676260087  0.7549961701510817
  0.2525128762643566  0.7499946793655921  0.7549974317690606
  0.7525075011275580  0.7499914556089784  0.7550009090923133
  0.2840026869781412  0.1980512322079411  0.0206014805422068
  0.2188641103517026  0.9982678019944666  0.3021510647426349
  0.0039595300793799  0.2836243274290353  0.2080452126803344
  0.7006590494038247  0.2815188688786351  0.0205493497863805
  0.7861119509653643  0.0015351066609507  0.2081081373804687
  0.5010390700310480  0.2163970149728312  0.3019579904045662
  0.2005183630296973  0.7817486112496324  0.0205334315711000
  0.2861193029411933  0.5017394272915926  0.2078505506341675
  0.0007692546284177  0.7163908095861508  0.3020620404456741
  0.7842125852203450  0.6981495103068037  0.0205888412889926
  0.7188698820969039  0.4984732352339127  0.3019044020168195
  0.5042256680349326  0.7836379097988464  0.2079355735664222
  0.2209897209968573  0.3019329513843280  0.4894193367002190
  0.2174311006440693 -0.0004822415872408  0.7146488592587078
  0.0030652313625570  0.2850321780748692  0.7951234769086750
  0.8043247530775778  0.2184823902143407  0.4894309819038781
  0.7875773926676186  0.0004572449476097  0.7951029806381474
  0.5019698147043808  0.2149714839214477  0.7148738770465314
  0.3044693753416345  0.7182473061112726  0.4894540653103289
  0.2875524980311870  0.5004787313296248  0.7953464846010682
  0.0020727301950926  0.7148470872819691  0.7147080279601996
  0.7207744071694595  0.8018434105988146  0.4894340972960110
  0.7173957787833098  0.4995238938096673  0.7148930114330806
  0.5029424745485975  0.7851469764984406  0.7952893950645293
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
