xcrysden xsf file MA2PbI4               
   1.00000000000000     
    12.1488501385504506    0.0303572634794024   -0.0136973586683787
    -0.0503290419809786   11.8818732005422305    0.0142727868236595
     0.1779926205156290    0.6874309089548016   32.3135180725744107
   N    Pb   Sn   I    C    H 
     8     2     2    16     8    48
Direct
  0.0825747890838460  0.5225353007167399  0.4472763321508241
  0.0423199199727303  0.0204222252737843  0.4420802875562234
  0.5438126461625966  0.5161772151954312  0.4422238655555278
  0.9344573721860482  0.0095343700522248  0.6138802401971050
  0.4344928572879322  0.5104279496786664  0.6141380678961706
  0.5835806088581962  0.0178318839617501  0.4456542158038532
  0.3934358864019751  0.0097670226638771  0.6111120897821587
  0.8922487883242664  0.5123797342901538  0.6127339308798024
  0.2394554599249981  0.2654276308762157  0.5280121513878299
  0.7401574260031601  0.2645842751677648  0.5284502260288202
  0.2390013829256635  0.7653426527911643  0.5287797045290575
  0.7383792840894609  0.7644355900677312  0.5286617763762678
  0.2205599202887423  0.2590510229626882  0.4277434838328847
  0.2233566096143814  0.7863649036263232  0.4298899563619732
  0.7246707451474348  0.2825548449052781  0.4278609912142830
  0.7226558300401992  0.7546962972636819  0.4297282933505597
  0.2549507261249082  0.2734945444823798  0.6282987922288145
  0.2533748411654771  0.7442508369380730  0.6276535213668036
  0.7549156403350591  0.2445214719943666  0.6287866729205753
  0.7512541369078027  0.7748775974032917  0.6276226360977311
  0.1607593185770559  0.0122262806566419  0.5424691571493918
  0.3182614640193565  0.5184632191868168  0.5137593026885879
  0.8168946467349010  0.0132377044993299  0.5137243978991415
  0.6612654079539101  0.5154623096784829  0.5430157190437929
  0.4895200732705848  0.1896629352697909  0.5280140694877093
  0.4890571142273006  0.8327182719175126  0.5287943844320279
  0.9898862942606479  0.3417636172577241  0.5304020975532042
  0.9888946938899895  0.6985940324406987  0.5301016138289889
  0.4638545522998200  0.5183523408722078  0.4074801462218746
  0.0154066691619200  0.0067684203621986  0.6482832737731588
  0.5155936367996040  0.5071026955332882  0.6484812491038950
  0.9963235673146978  0.5105419367630086  0.6368608159239953
  0.4987661729858235  0.0092187266627398  0.6344483110512125
  0.4781101721987525  0.0204527861870185  0.4224347614523979
  0.9748095186826423  0.5247560208949065  0.4255819055607642
  0.9622908129631302  0.0196277708411058  0.4073711886337283
  0.5099582355520490  0.5193553883405168  0.3782685201126397
  0.4704666852116673  0.5042209665083789  0.6779146967069948
  0.4800692023386418  0.0076044476342331  0.6676416235616918
  0.4322736035444046  0.0960305627224873  0.4309536859193519
  0.5452593526817492  0.0855457571719350  0.6258987847392693
  0.4131072409885083  0.5942763672644340  0.4097836497137087
  0.5670960950623666  0.5829937727076168  0.6461543043482313
  0.9102592529684839  0.0947871931213909  0.4092301116270179
  0.9290463188357186  0.5992866512431138  0.4352062223583820
  0.5668062977141469  0.4317043831927143  0.6454274195290879
  0.5457525436599772  0.9341791511949140  0.6261866213362075
  0.0924556528624859  0.0922013002333958  0.4406158256679931
  0.1289306247033976  0.5949820033984881  0.4406459295696165
  0.3465086364538852  0.0811780605385484  0.6172661332115031
  0.6310161056890269  0.0897465474919788  0.4394069546907000
  0.3837082225786965  0.5813611249477380  0.6155933995028823
  0.5948526434343230  0.5873034927622200  0.4412635689666710
  0.3833403583283799  0.4393716710805380  0.6151082823646526
  0.3468734268106572  0.9373297761819572  0.6174609868368631
  0.0011175033804564  0.0192811592687170  0.4703060312720348
  0.0699772660161549  0.5194890250100944  0.4789873509784898
  0.5679529755821525  0.0158182266227608  0.4771837851514436
  0.4093191506492553  0.0114796018018498  0.5795991488051467
  0.5025442803261124  0.5146485355176476  0.4704386183557454
  0.4747776739403232  0.5129600276642966  0.5857396385100654
  0.4965445926524726  0.0225356765769108  0.3892189773317798
  0.9898025393762518  0.5285629232991081  0.3921362592406901
  0.0083492722113766  0.0201291584358288  0.3781483543960040
  0.4116914044929730  0.4429901645787609  0.4100830790670005
  0.4305266716915331  0.9446929581725453  0.4308077386050395
  0.9290364549507999  0.4479850478958990  0.4341408652067775
  0.9114543513074292  0.9434233045052300  0.4104569672844816
  0.1284191392272806  0.4512404291292176  0.4400366465489207
  0.0941117956777491  0.9500903987674768  0.4415311674387924
  0.5947126038264238  0.4452536303539420  0.4411907598197226
  0.6295905499023112  0.9459378998402829  0.4393045114433266
  0.0435418871540909  0.5869500129990071  0.6290343072131743
  0.0434830207136666  0.4355911624623980  0.6285902485893305
  0.9757573612773680  0.5077715912056234  0.6699101334015720
  0.9097515014600526  0.5150870525872576  0.5813389526153913
  0.8450799961265396  0.5836848592748617  0.6188198187257673
  0.8453053168003858  0.4398363582516788  0.6184114390122045
  0.0670090259278286  0.0825428530720368  0.6457782956315068
  0.0665302134317172  0.9312327426005568  0.6454617312327026
  0.9701168695640533  0.0045690018438299  0.6776755263149147
  0.9748503930082140  0.0111871065504247  0.5854989496213342
  0.8839149146348040  0.0806822527093811  0.6151690425353186
  0.8830017570866202  0.9387393779307102  0.6149854175667174
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
  0.00000000E+00  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  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
  0.00000000E+00  0.00000000E+00  0.00000000E+00
