xcrysden xsf file MA2PbI4               
   1.00000000000000     
    12.1265459373138551    0.0322823603388281    0.0044058546027137
    -0.0482576992786131   11.8629665496434260    0.0182304888237433
     0.2249419140088376    0.6972633373016164   32.4250684506740470
   N    Pb   Sn   I    C    H 
     8     1     3    16     8    48
Direct
  0.0830424261790352  0.5203971890520891  0.4476892886397900
  0.0401879407948876  0.0193904188035480  0.4431164143912713
  0.5440679850590456  0.5166140129236064  0.4422609417838136
  0.9344382127945923  0.0086159498223309  0.6137508549501749
  0.4367834646658533  0.5116825872450418  0.6132491556605544
  0.5827783014521231  0.0202854849161363  0.4463074261467359
  0.3928145840640196  0.0127588526610040  0.6105419269972394
  0.8930510914862126  0.5094585897184065  0.6118467470908571
  0.2397029510072446  0.7658220055033347  0.5284726517264179
  0.2386986814977984  0.2659262064714386  0.5284813251699166
  0.7393092096459800  0.2643520712932345  0.5286822744739554
  0.7387714169565366  0.7644576750072285  0.5287323318746279
  0.2221937657821478  0.2564217058124060  0.4300568967441769
  0.2224505046019986  0.7855065754503069  0.4285740683102887
  0.7271388179201962  0.2836169289221832  0.4298970855256155
  0.7226114355917180  0.7565413550321298  0.4301288390553968
  0.2536404619864056  0.2762853996339111  0.6270120689512696
  0.2546738610127449  0.7458885014005057  0.6284622157936709
  0.7528667121782764  0.2435501522247109  0.6272385978534910
  0.7515093496055175  0.7727581172429635  0.6273322475486137
  0.1603106224555464  0.0170832795647683  0.5424665411692228
  0.3185021151452109  0.5146402378196496  0.5138777350839575
  0.8134812424859024  0.0153562472049573  0.5148740073137822
  0.6646838561138116  0.5136078604903687  0.5417326343471670
  0.4888956240775570  0.1985861041342585  0.5279406360674095
  0.4920832314879924  0.8379167214222323  0.5295765410009043
  0.9891707605356320  0.3332901859535771  0.5299337853337476
  0.9873484526236830  0.6941805443846055  0.5297740556412870
  0.4646008579600427  0.5174319735687203  0.4075167300166777
  0.0146329844455865  0.0067411650829119  0.6482416451816583
  0.5163480210089877  0.5065829914694979  0.6479407176919431
  0.9964246459198851  0.5087503043769025  0.6362754285501393
  0.4977333463719028  0.0109121068328897  0.6340409354813866
  0.4776179137603757  0.0208535051020286  0.4229741492727113
  0.9757121785599070  0.5242897264824897  0.4257882926748423
  0.9615757666255723  0.0201755236510211  0.4081038989292837
  0.5112500991503454  0.5182369450987355  0.3784525963063418
  0.4697074441729502  0.5033420421566779  0.6770083947387874
  0.4781826801829699  0.0087916298436944  0.6670756540697107
  0.4305765968429399  0.0962543648302459  0.4310014520102557
  0.5451321352123237  0.0870423810711096  0.6257913093061038
  0.4129961832239225  0.5930698956177345  0.4095293320409667
  0.5686675200515307  0.5821226381334010  0.6461709141866582
  0.9100608547130130  0.0959269500133330  0.4098661998735775
  0.9305964833432597  0.5994930518987700  0.4353249007493086
  0.5671016995978984  0.4306695589081366  0.6448982116212788
  0.5443990363098499  0.9355045779678843  0.6257499613459093
  0.0910844187490962  0.0907919434043425  0.4421333480552532
  0.1303775418453393  0.5924237561245155  0.4411547067227689
  0.3460421548195061  0.0844261562033783  0.6167553909418703
  0.6298393524220131  0.0925505606000506  0.4398621737474503
  0.3864343610933321  0.5831058148214358  0.6147418446659255
  0.5946013808784566  0.5882855541605524  0.4412376781361524
  0.3848182713465275  0.4411064354847989  0.6137519455251838
  0.3457470061209018  0.9403372532902254  0.6166653809345727
 -0.0022862998882308  0.0181010168198488  0.4710550794815915
  0.0695937219455176  0.5175154338452250  0.4792523019566289
  0.5665524564129187  0.0191105580254897  0.4777075024803730
  0.4094536994713102  0.0149777647544784  0.5791751611488763
  0.5021892075459026  0.5149244335633446  0.4703247423922029
  0.4784324400162197  0.5143249144602415  0.5851541314939899
  0.4967877453246166  0.0219827429477007  0.3899099582580223
  0.9916755413834268  0.5282010210583674  0.3925043154848132
  0.0089961001907181  0.0206653404521920  0.3792100598214044
  0.4129594025471430  0.4415221365121555  0.4102633769852117
  0.4306761439590797  0.9446619020102774  0.4315572614923083
  0.9286169210243834  0.4480431584841577  0.4341492669204999
  0.9098526991916118  0.9443264121877322  0.4107048159722163
  0.1283733638299420  0.4484329271586048  0.4406056777032651
  0.0916305375977412  0.9486328997535272  0.4424965646561962
  0.5957683073237550  0.4460358847182185  0.4414953610739253
  0.6296030758289819  0.9484660286274075  0.4403843331505388
  0.0435473438998578  0.5853857414483318  0.6284328012158330
  0.0444686630555626  0.4338126016112119  0.6284752591385782
  0.9747140661991507  0.5066561998181650  0.6691288157335867
  0.9115362305479418  0.5114210069217412  0.5806117137067510
  0.8453944431745576  0.5808847608119436  0.6175109730699936
  0.8460651776175472  0.4367749588709773  0.6176130292123521
  0.0658283845704486  0.0829713376531867  0.6457451434894170
  0.0665217300475067  0.9314669447953812  0.6456671315254915
  0.9685987131022104  0.0045380174508578  0.6774479010357173
  0.9757350967177576  0.0106495878160256  0.5855740387663141
  0.8832207934498570  0.0794624763663174  0.6148027171053952
  0.8834262479764363  0.9373196207504680  0.6147981901064288
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
