xcrysden xsf file MA2PbI4               
   1.00000000000000     
    12.1459330705085495    0.0221824155833385   -0.0055452756931873
    -0.0582415045998508   11.8813348089257893    0.0419088541283208
     0.1990523555696004    0.7607856338137174   32.3247642945805751
   N    Pb   Sn   I    C    H 
     8     2     2    16     8    48
Direct
  0.0827767371998478  0.5211730936973762  0.4471108473470065
  0.0424362653010439  0.0182790230031539  0.4421325868160809
  0.5437893190544141  0.5156761178080794  0.4422595372791843
  0.9340778090797763  0.0097383874300194  0.6139048575815064
  0.4344055076353657  0.5124210953924238  0.6141773671325992
  0.5836562327823387  0.0193006495880207  0.4457427359160022
  0.3931579831045295  0.0120609572973152  0.6111882155148803
  0.8923469710252417  0.5105297022094984  0.6124574198604517
  0.2399784848510464  0.7659255528593590  0.5285737634381020
  0.7398033097035155  0.2644271618694035  0.5284456630714628
  0.2389660461044624  0.2657617958161088  0.5284031943982286
  0.7391061307606437  0.7640888055441110  0.5286427280343405
  0.2212967833012291  0.2573847219450085  0.4296855506479591
  0.2235793741061481  0.7852910260925160  0.4281957529139639
  0.7258612041822128  0.2837190028565846  0.4278515812645020
  0.7220096029793088  0.7555632496057002  0.4297863186277337
  0.2540601380134291  0.2752163718958157  0.6272242088349249
  0.2538915281642943  0.7460135313757390  0.6288967004720434
  0.7534054543698597  0.2434580457891423  0.6287536018889606
  0.7518717331212300  0.7736192800257335  0.6274666179669987
  0.1605407186168562  0.0168478969614882  0.5425634730708125
  0.3179275815499099  0.5147405069501716  0.5138531222722573
  0.8169540944193523  0.0132888430165623  0.5137825592804365
  0.6611421969389835  0.5153073550237331  0.5429295922359173
  0.4867678379435850  0.1943183158589880  0.5272010496557792
  0.4926370991838837  0.8370762988413499  0.5300204505206317
  0.9920864207023025  0.3376628609083377  0.5309430155448346
  0.9875449317589592  0.6945968900656145  0.5294787614299948
  0.4638469271405509  0.5182455107624350  0.4075522731159050
  0.0150429905424805  0.0068771269462580  0.6482643260771517
  0.5153353346939183  0.5072078408424462  0.6485198750124465
  0.9964050296429489  0.5091550237099030  0.6365401792435210
  0.4985450925991033  0.0100292488729613  0.6344548634650534
  0.4780397332018269  0.0206127575773606  0.4226400396173315
  0.9751027772558366  0.5245127166167300  0.4254019140665136
  0.9624633934130558  0.0194317805307751  0.4074424515414874
  0.5099643353930050  0.5198813851448348  0.3783150778045886
  0.4700714310909553  0.5036234428001827  0.6779431531936010
  0.4798939076566445  0.0072743218770756  0.6676540521683639
  0.4314981316899528  0.0956791568648062  0.4310521111395330
  0.5455686871793369  0.0863777217384527  0.6261306581058701
  0.4129317181082587  0.5939691610043399  0.4099491257982703
  0.5674905467470397  0.5827804121865002  0.6464387460532921
  0.9109983114689190  0.0948244407376471  0.4096071172968571
  0.9299854342301641  0.5993156179120953  0.4350242634486487
  0.5659303412862927  0.4315439843319511  0.6452302023367406
  0.5449543551435185  0.9350069135620024  0.6258956719912164
  0.0929579496083417  0.0899049033543514  0.4410364066964684
  0.1297480488491078  0.5933310620342288  0.4403826515246097
  0.3466560577478157  0.0835273608300952  0.6175259922225906
  0.6306233586442863  0.0915871947931293  0.4392480316010239
  0.3841393565465422  0.5836019276942696  0.6159123701630022
  0.5946162002976781  0.5870488191116749  0.4413755252136164
  0.3827709324257248  0.4416482785915923  0.6148596836286865
  0.3461967506722474  0.9396208047602577  0.6173974245158325
  0.0011150393839237  0.0162412195873117  0.4703568255145872
  0.0700436077339953  0.5180920977927441  0.4788142901622149
  0.5681501261736500  0.0173848157633872  0.4772834806454593
  0.4090464695291268  0.0147968366199210  0.5796766053388114
  0.5024527885329159  0.5133074438263607  0.4704711774177255
  0.4748979297233413  0.5156064568849511  0.5858050218375249
  0.4963271132619622  0.0226961171857765  0.3894119547002810
  0.9902562124626635  0.5286034699635832  0.3919652431785884
  0.0085533935048700  0.0207491388381050  0.3782101997147331
  0.4118431445315244  0.4426455411298476  0.4101313457115721
  0.4312686429935028  0.9442868156696473  0.4312277588501521
  0.9285556409062773  0.4480378982347957  0.4339647969816346
  0.9110546608794640  0.9434592255191444  0.4102598513206257
  0.1280224659293199  0.4495117266900668  0.4399907516643036
  0.0938823639982275  0.9477953374672956  0.4412164866881340
  0.5949011628336345  0.4449964116496826  0.4411076428034002
  0.6300864865156882  0.9476761909420788  0.4395757490932935
  0.0434325492417076  0.5857559127688748  0.6285377288473887
  0.0437731328532489  0.4343629922368705  0.6283977309804160
  0.9758666171297412  0.5064494272407444  0.6695872609439109
  0.9099531772239129  0.5130730010483537  0.5810642482348157
  0.8452027220613758  0.5818402476689166  0.6183645625854111
  0.8454096229780508  0.4379103005398935  0.6183506186020774
  0.0663836924008398  0.0829409899269206  0.6457368313623267
  0.0664663149269595  0.9316569881352273  0.6453915279566027
  0.9697946843126788  0.0041090614432917  0.6776917794301179
  0.9745844712051883  0.0122844859626999  0.5855294186251271
  0.8832208381576780  0.0805452022647690  0.6152777400084415
  0.8830002673851947  0.9385567880830186  0.6149560227405036
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
