xcrysden xsf file MA2PbI4               
   1.00000000000000     
    12.1504853896240110    0.0354682200464947   -0.0061406759479470
    -0.0453344823796265   11.8763833311399338   -0.0001595254002015
     0.1991191372110548    0.6489260926338890   32.3233540610431049
   N    Pb   Sn   I    C    H 
     8     2     2    16     8    48
Direct
  0.0845907520534757  0.5207514384501944  0.4466622150885134
  0.0397997819983714  0.0192677349467180  0.4432373685648136
  0.5458357790640207  0.5180103748999890  0.4414144399296412
  0.9318168004497682  0.0090137370215070  0.6150142431381584
  0.4368074381873880  0.5107324218431742  0.6133916072035369
  0.5830603600689543  0.0196443190044562  0.4461373769546335
  0.3920583950788608  0.0117292163242188  0.6113449935804544
  0.8938312076483270  0.5104556021933502  0.6117843353406245
  0.2384844786452922  0.2657394320499670  0.5283749995953405
  0.2393740937998998  0.7655303653357884  0.5286825520833643
  0.7389583507124595  0.2645107444140590  0.5286532024457706
  0.7385917810685182  0.7645392265452408  0.5287072689995581
  0.2208529592989078  0.2556887291357017  0.4282560025103035
  0.2222168135188997  0.7864053959050151  0.4285008060446632
  0.7263855991880015  0.2832471748194315  0.4296519855506065
  0.7235046404998404  0.7567666951679809  0.4297093813182689
  0.2544116069777661  0.2759794484574766  0.6286139503321019
  0.2555304196359132  0.7446339577287632  0.6288469712135603
  0.7527881008777411  0.2452132240647300  0.6275204597490510
  0.7512126694817222  0.7726643072279693  0.6276405680002042
  0.1569764210787678  0.0146792591075114  0.5437886591033357
  0.3213156876272510  0.5164817459733956  0.5127881503729409
  0.8129071718993113  0.0154772604834429  0.5151804020963395
  0.6645561545385787  0.5137991577989056  0.5417688140575572
  0.4906035204984064  0.1944974337431673  0.5288770139606993
  0.4917582527274256  0.8366148044073571  0.5294903493335853
  0.9861197277018980  0.3367776618520529  0.5286178958006041
  0.9870308824314320  0.6946335262801744  0.5291342943152437
  0.4645905122192854  0.5188480809951965  0.4071513033014673
  0.0134534492331581  0.0072169919277987  0.6491277020128543
  0.5164152123066803  0.5068174040820111  0.6481785807745205
  0.9987430731211452  0.5090216739948935  0.6353309770464919
  0.4975751891340940  0.0099074633969676  0.6345299393877808
  0.4772505980067961  0.0208015599710301  0.4231727442815912
  0.9773668838865254  0.5237925198551325  0.4246434951509003
  0.9597143204238066  0.0193735044479258  0.4085925658566522
  0.5095139198476492  0.5197816514595048  0.3776655213086146
  0.4699676069742336  0.5041333881196717  0.6773297992985724
  0.4790997821762792  0.0077025763342502  0.6677438680527990
  0.4307541261060225  0.0961379380777325  0.4316703131149246
  0.5445036378165220  0.0860540553525219  0.6261573636467803
  0.4131573102576445  0.5943466747211368  0.4096651284492390
  0.5683148613926777  0.5824377901240897  0.6462290529738095
  0.9081099364299829  0.0948500845197825  0.4106636510324762
  0.9322038605402200  0.5991313754490551  0.4340115887971695
  0.5673502419865268  0.4310779633847460  0.6453148601121869
  0.5439472799940630  0.9346153352583130  0.6259076540491426
  0.0903307131808812  0.0907064632440886  0.4418769993565418
  0.1315504135521220  0.5927827582019919  0.4400543682870740
  0.3455725114248493  0.0833810631599230  0.6177893915277193
  0.6299579851070479  0.0917724795428023  0.4396675164104766
  0.3864070232019712  0.5820267652543120  0.6147439191534437
  0.5964013826013902  0.5894998273662085  0.4401204594611808
  0.3851241679489055  0.4401350078271762  0.6141382349949857
  0.3452258109661254  0.9394117307274669  0.6175660537270834
 -0.0012412425964092  0.0181593287076177  0.4714935082097181
  0.0711345357590970  0.5184358106757272  0.4783229768151055
  0.5679265990380787  0.0182597670082438  0.4777077940982321
  0.4078272889527054  0.0138685028042289  0.5798290179099846
  0.5055236681703988  0.5166532406369405  0.4698328390592839
  0.4782120278986376  0.5128072491037351  0.5852084518912394
  0.4951117298977469  0.0223986774691932  0.3899126706511351
  0.9932337896456404  0.5267050862496855  0.3912477242262742
  0.0057621932109951  0.0198592252528948  0.3793588401449527
  0.4132384351761567  0.4430276866944881  0.4101715248937498
  0.4305483328524213  0.9447074689354689  0.4317958165520056
  0.9305777480652396  0.4477657265068945  0.4332818545798097
  0.9085530551971867  0.9434097450385072  0.4115225951576405
  0.1300086003247561  0.4488361592261356  0.4396331537717348
  0.0913305096779829  0.9487310714138882  0.4423833447546210
  0.5971567358531356  0.4472986017060938  0.4403513935681909
  0.6295495751999763  0.9479004052055799  0.4398485757839373
  0.0458277039252784  0.5851624214920006  0.6270747337726643
  0.0455172840232755  0.4337167814294513  0.6270149715933628
  0.9795192059003629  0.5071249329797084  0.6684905727080097
  0.9101761022657229  0.5123540752560655  0.5802991559041206
  0.8469293549776309  0.5819670127101482  0.6179778760268764
  0.8469542352770189  0.4381063006452801  0.6178690637009840
  0.0646733366866002  0.0831865471657613  0.6463087399854918
  0.0649366519879490  0.9318627706725866  0.6462458190520413
  0.9688937456588467  0.0054354440645237  0.6786944718241862
  0.9718046469336050  0.0105688059688145  0.5865347355155911
  0.8809529926764226  0.0800229736000690  0.6162753715630103
  0.8807794687697175  0.9378972554027968  0.6162991600360902
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
