# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_global
_database_code_depnum_ccdc_archive 'CCDC 2434581'
loop_
_audit_author_name
_audit_author_address
'Haris Mahyuddin'
;Bandung Institute of Technology
Indonesia
;
_audit_update_record             
;
2025-03-26 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_cell_length_a                   11.6889
_cell_length_b                   11.7173
_cell_length_c                   17.5025
_cell_angle_alpha                80.2333
_cell_angle_beta                 74.2471
_cell_angle_gamma                90.0374
_symmetry_space_group_name_H-M   'P -1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br 0.00447134 0.675221 0.504566
Br 0.829307 0.989812 0.493943
Br 0.997306 0.331637 0.490265
Br 0.313874 0.323178 0.313669
Br 0.171768 0.0130768 0.500602
Br 0.820679 0.803943 0.300569
Br 0.324155 0.797149 0.300298
Br 0.329753 0.514502 0.493527
Br 0.67085 0.488151 0.500047
Br 0.81615 0.271369 0.31354
Br 0.505107 0.824364 0.503975
Br 0.497143 0.176996 0.490817
C 0.365737 0.706972 0.0933657
C 0.629442 0.802057 0.908156
C 0.68074 0.190978 0.933683
C 0.695706 0.891471 0.0873806
C 0.91254 0.983091 0.692088
C 0.804158 0.180838 0.913222
C 0.174713 0.590894 0.938095
C 0.914853 0.47566 0.781513
C 0.821815 0.40464 0.0649754
C 0.329894 0.304164 0.0655547
C 0.70993 0.387483 0.859179
C 0.668242 0.694354 0.936531
C 0.297044 0.616903 0.917748
C 0.30358 0.107606 0.913264
C 0.208545 0.324019 0.0862466
C 0.289744 0.614115 0.140856
C 0.961687 0.455796 0.694705
C 0.833619 0.377526 0.836898
C 0.16604 0.624284 0.163216
C 0.633881 0.294791 0.906801
C 0.410677 0.422426 0.692873
C 0.287197 0.109849 0.143689
C 0.879914 0.273147 0.865115
C 0.665799 0.050247 0.162915
C 0.119537 0.728937 0.13574
C 0.333462 0.949244 0.837224
C 0.619707 0.958546 0.135992
C 0.195285 0.821121 0.0873788
C 0.379464 0.0403838 0.864732
C 0.0415821 0.55022 0.305709
C 0.084641 0.527132 0.219537
C 0.318708 0.810811 0.0666767
C 0.126756 0.237279 0.136184
C 0.36879 0.196505 0.0939402
C 0.376011 0.554125 0.867217
C 0.584629 0.118424 0.21961
C 0.462315 0.944782 0.695037
C 0.54151 0.05108 0.305631
C 0.132154 0.500442 0.908792
C 0.865546 0.494702 0.0940448
C 0.711083 0.888269 0.857753
C 0.211113 0.437828 0.858291
C 0.41469 0.879809 0.781434
C 0.579573 0.599696 0.221769
C 0.789601 0.674337 0.915426
C 0.78932 0.0732016 0.139577
C 0.419665 0.399631 0.779414
C 0.133647 0.994528 0.908428
C 0.865665 0.00492994 0.0919442
C 0.165025 0.129557 0.165854
C 0.787266 0.559389 0.143276
C 0.180331 0.0855834 0.93467
C 0.620956 0.444691 0.134394
C 0.921381 0.960322 0.778633
C 0.334163 0.464606 0.836201
C 0.66394 0.534476 0.164589
C 0.0869885 0.0223175 0.309404
C 0.0770937 0.0383762 0.223246
C 0.699262 0.380422 0.0846702
C 0.833236 0.868446 0.835055
C 0.209944 0.92641 0.860625
C 0.588352 0.570581 0.308207
C 0.818966 0.913823 0.0657847
C 0.871261 0.760726 0.865021
H 0.936437 0.899574 0.593217
H 0.560024 0.430153 0.402749
H 0.610242 0.986935 0.401776
H 0.400249 0.0122094 0.596104
H 0.699138 0.964192 0.314166
H 0.30726 0.0330662 0.682953
H 0.69473 0.0990393 0.337378
H 0.313358 0.89971 0.658014
H 0.0632174 0.115076 0.403585
H 0.139636 0.193031 0.315892
H 0.48968 0.409378 0.333598
H 0.990677 0.171285 0.335669
H 0.0113299 0.838726 0.658596
H 0.438598 0.556298 0.593871
H 0.659489 0.821148 0.0659671
H 0.511805 0.582735 0.660405
H 0.110311 0.564791 0.401978
H 0.363496 0.597509 0.679216
H 0.638348 0.395904 0.315827
H 0.339967 0.17761 0.934889
H 0.862706 0.815321 0.679072
H 0.199958 0.631404 0.31435
H 0.665336 0.311018 0.0612582
H 0.0915194 0.953139 0.204804
H 0.504466 0.141482 0.200181
H 0.173513 0.854758 0.840368
H 0.825586 0.145077 0.159709
H 0.898766 0.440676 0.595836
H 0.0376577 0.97645 0.924801
H 0.961643 0.0230476 0.0754741
H 0.495743 0.968114 0.307879
H 0.98024 0.479632 0.344574
H 0.0319061 0.25383 0.153125
H 0.966018 0.74398 0.84793
H 0.877578 0.859737 0.0286897
H 0.178052 0.407403 0.0632696
H 0.820176 0.590934 0.938303
H 0.393433 0.372464 0.0270737
H 0.604749 0.626163 0.975227
H 0.463422 0.179931 0.0767396
H 0.53489 0.818916 0.925534
H 0.317702 0.0257763 0.165978
H 0.680405 0.972252 0.835451
H 0.985502 0.0592806 0.222874
H 0.012803 0.938027 0.778536
H 0.12168 0.139754 0.971668
H 0.193952 0.484749 0.337752
H 0.0044545 0.514565 0.199964
H 0.0186613 0.958672 0.349481
H 0.511795 0.419053 0.779251
H 0.158789 0.901749 0.0654701
H 0.676248 0.596015 0.312821
H 0.493314 0.855496 0.802431
H 0.471521 0.575998 0.850558
H 0.00849625 0.374734 0.691686
H 0.174628 0.993056 0.313481
H 0.82476 0.0127865 0.688703
H 0.996222 0.632188 0.308159
H 0.487216 0.583117 0.22119
H 0.868904 0.55755 0.782075
H 0.509672 0.0268282 0.692699
H 0.525211 0.423968 0.150872
H 0.993871 0.488407 0.802325
H 0.976015 0.26334 0.848156
H 0.0234193 0.738971 0.153353
H 0.840704 0.100326 0.935285
H 0.480526 0.101864 0.344746
H 0.523468 0.89169 0.657968
H 0.368352 0.79813 0.781314
H 0.12971 0.444709 0.21952
H 0.403332 0.305454 0.799915
H 0.322296 0.396347 0.689473
H 0.598357 0.693862 0.203181
H 0.805658 0.375399 0.68257
H 0.52379 0.938161 0.154441
H 0.475432 0.0599963 0.846957
H 0.90787 0.0441211 0.799377
H 0.02311 0.527761 0.657975
H 0.980262 0.0496065 0.654897
H 0.33047 0.686521 0.941227
H 0.882522 0.353385 0.0267715
H 0.622292 0.11774 0.970457
H 0.377034 0.88404 0.0297607
H 0.113417 0.641176 0.976738
H 0.537798 0.303711 0.922258
H 0.461835 0.698151 0.0777245
H 0.961215 0.51471 0.0779021
H 0.0367421 0.47881 0.925333
H 0.673296 0.468942 0.838342
H 0.32625 0.532429 0.161421
H 0.821339 0.629884 0.165969
H 0.177614 0.367365 0.835256
H 0.477001 0.373827 0.655485
H 0.520883 0.614974 0.348043
H 0.812864 0.521541 0.65839
H 0.630128 0.200533 0.219821
I 0.179537 0.717837 0.689722
I 0.680145 0.686838 0.690334
I 0.1712 0.195267 0.701742
I 0.668713 0.204451 0.700839
N 0.932664 0.877318 0.6538
N 0.0685968 0.132975 0.342606
N 0.86361 0.44826 0.655797
N 0.143166 0.557951 0.341676
N 0.567439 0.443255 0.341511
N 0.433173 0.547581 0.654689
N 0.364713 0.973704 0.655911
N 0.643116 0.0242683 0.341454
Sn 0.744791 0.236111 0.506171
Sn 0.260356 0.769088 0.481227
Sn 0.759962 0.741182 0.481243
Sn 0.243981 0.262373 0.506773
_chemical_name_systematic        (PEA)2SnBr3I
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_global_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2434583'
loop_
_audit_author_name
_audit_author_address
'Haris Mahyuddin'
;Bandung Institute of Technology
Indonesia
;
_audit_update_record             
;
2025-03-26 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_cell_length_a                   11.4763
_cell_length_b                   11.3655
_cell_length_c                   17.0744
_cell_angle_alpha                80.3474
_cell_angle_beta                 75.1462
_cell_angle_gamma                90.613
_symmetry_space_group_name_H-M   'P -1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br 0.308141 0.283213 0.300543
Br 0.849933 0.99803 0.458934
Br 0.989505 0.337324 0.48493
Br 0.149158 0.00475723 0.522184
Br 0.32719 0.842471 0.306471
Br 0.00860451 0.65692 0.508513
Br 0.511208 0.835649 0.507077
Br 0.349123 0.5225 0.462436
Br 0.650177 0.480527 0.521948
Br 0.806262 0.319025 0.299304
Br 0.4853 0.16519 0.490146
Br 0.828837 0.750824 0.305377
C 0.3683 0.700958 0.105499
C 0.806005 0.178444 0.911824
C 0.632955 0.293477 0.900994
C 0.695912 0.893508 0.0970415
C 0.882272 0.268584 0.856087
C 0.681165 0.189999 0.933449
C 0.642249 0.80733 0.913759
C 0.319405 0.803087 0.0716982
C 0.0810659 0.0410766 0.245339
C 0.922302 0.957667 0.753001
C 0.16678 0.618172 0.180163
C 0.83401 0.371191 0.821375
C 0.292219 0.608906 0.159379
C 0.709212 0.383868 0.845515
C 0.431026 0.425833 0.755127
C 0.668057 0.0462374 0.182898
C 0.11804 0.719897 0.144613
C 0.0876489 0.521959 0.243343
C 0.58785 0.110674 0.244522
C 0.195725 0.328305 0.0939383
C 0.41317 0.900773 0.757936
C 0.568843 0.572907 0.247785
C 0.912662 0.464588 0.755464
C 0.381552 0.0520152 0.853643
C 0.194172 0.811808 0.0907158
C 0.619707 0.958378 0.149602
C 0.182822 0.58247 0.939596
C 0.333786 0.961793 0.822039
C 0.806752 0.412269 0.0616177
C 0.316526 0.306277 0.0617907
C 0.770877 0.566533 0.145593
C 0.20925 0.932488 0.847675
C 0.180701 0.086358 0.931995
C 0.161159 0.129143 0.176173
C 0.869502 0.00532205 0.108155
C 0.224651 0.430857 0.853462
C 0.881663 0.759111 0.848054
C 0.132966 0.99459 0.902325
C 0.804175 0.672358 0.906067
C 0.793429 0.0699655 0.161094
C 0.839937 0.870345 0.821773
C 0.821025 0.916148 0.0765961
C 0.281594 0.105991 0.141973
C 0.143655 0.485551 0.910332
C 0.304356 0.622122 0.913352
C 0.64961 0.524602 0.177275
C 0.345729 0.473944 0.824008
C 0.606787 0.428971 0.148319
C 0.683819 0.695581 0.938469
C 0.719891 0.894632 0.856153
C 0.849286 0.509511 0.0888763
C 0.385271 0.568524 0.85561
C 0.684935 0.373765 0.0901131
C 0.358952 0.194662 0.085731
C 0.305198 0.114212 0.908027
C 0.118541 0.240486 0.151265
H 0.980473 0.624154 0.324957
H 0.680974 0.605835 0.323844
H 0.47811 0.965986 0.325621
H 0.986492 0.0647028 0.257551
H 0.00438073 0.498243 0.227733
H 0.543909 0.537684 0.376743
H 0.11858 0.603959 0.339443
H 0.0453698 0.0210447 0.375155
H 0.506004 0.141061 0.227103
H 0.614136 0.982128 0.342958
H 0.476659 0.532693 0.263553
H 0.502618 0.884163 0.768153
H 0.843292 0.0983502 0.938502
H 0.341954 0.185288 0.931765
H 0.136573 0.44058 0.253112
H 0.622618 0.117709 0.975965
H 0.522181 0.938595 0.16644
H 0.636722 0.187981 0.254548
H 0.377865 0.876445 0.030331
H 0.655444 0.460404 0.324743
H 0.828114 0.0164634 0.664
H 0.370433 0.815679 0.754453
H 0.331784 0.40053 0.670042
H 0.979496 0.258026 0.837902
H 0.357605 0.0152908 0.664168
H 0.499151 0.04678 0.666289
H 0.472253 0.464967 0.624375
H 0.523666 0.46215 0.744847
H 0.430951 0.327785 0.766348
H 0.00172903 0.481011 0.765451
H 0.359366 0.544907 0.671941
H 0.466877 0.928071 0.626299
H 0.184639 0.979412 0.328099
H 0.00183809 0.363412 0.666809
H 0.0856505 0.948861 0.233726
H 0.868653 0.54972 0.74978
H 0.0151846 0.490861 0.373524
H 0.510203 0.076378 0.374322
H 0.512833 0.394989 0.173536
H 0.465857 0.69277 0.090419
H 0.83051 0.139542 0.186345
H 0.867694 0.365853 0.0181603
H 0.965793 0.498634 0.623911
H 0.156494 0.891057 0.0632791
H 0.0168721 0.935125 0.744649
H 0.335558 0.696424 0.937038
H 0.535802 0.30394 0.918186
H 0.944167 0.540654 0.066389
H 0.478484 0.0754651 0.834032
H 0.0491466 0.452792 0.93121
H 0.193321 0.356297 0.829795
H 0.672459 0.465031 0.819477
H 0.564495 0.670601 0.235585
H 0.121784 0.136708 0.973805
H 0.914789 0.0504061 0.763256
H 0.969292 0.975174 0.622276
H 0.859211 0.387339 0.664187
H 0.686885 0.981303 0.83606
H 0.158863 0.124814 0.32345
H 0.315063 0.0193387 0.16156
H 0.65835 0.824613 0.0717166
H 0.0360076 0.97179 0.920915
H 0.967018 0.0241853 0.09221
H 0.329418 0.528563 0.186141
H 0.0252663 0.259748 0.178762
H 0.974753 0.739038 0.820972
H 0.879782 0.863918 0.0361066
H 0.162567 0.415106 0.075156
H 0.376869 0.376532 0.0184827
H 0.623199 0.626392 0.982629
H 0.453258 0.176646 0.0610459
H 0.47934 0.602852 0.832865
H 0.804489 0.641319 0.167921
H 0.651807 0.298673 0.0681793
H 0.0203977 0.72833 0.160702
H 0.836989 0.585562 0.925341
H 0.548307 0.826449 0.938615
H 0.119728 0.627314 0.982895
H 0.172633 0.861186 0.823678
H 0.854915 0.871016 0.67125
I 0.19023 0.696145 0.695249
I 0.180122 0.228297 0.689773
I 0.687839 0.705058 0.69448
I 0.679928 0.177156 0.687609
N 0.43531 0.977116 0.673491
N 0.118949 0.0416582 0.323462
N 0.0481643 0.562807 0.32522
N 0.545013 0.0288811 0.326672
N 0.936022 0.426431 0.672394
N 0.39722 0.461673 0.675019
N 0.892724 0.954656 0.672137
N 0.61439 0.542154 0.323468
Sn 0.758778 0.735563 0.496204
Sn 0.744957 0.239514 0.482411
Sn 0.257821 0.764384 0.497689
Sn 0.244979 0.267318 0.484437
_chemical_name_systematic        (PMA)2SnBr3I
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_global_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2434584'
loop_
_audit_author_name
_audit_author_address
'Haris Mahyuddin'
;Bandung Institute of Technology
Indonesia
;
_audit_update_record             
;
2025-03-26 deposited with the CCDC.	2025-07-14 downloaded from the CCDC.
;
_cell_length_a                   12.2116
_cell_length_b                   12.2007
_cell_length_c                   17.1443
_cell_angle_alpha                79.3542
_cell_angle_beta                 80.8051
_cell_angle_gamma                90.8013
_symmetry_space_group_name_H-M   'P -1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Br 0.159986 0.00416927 0.473016
Br 0.784243 0.729845 0.314469
Br 0.449286 0.171821 0.503942
Br 0.763619 0.228628 0.316612
Br 0.679854 0.435653 0.496271
Br 0.260044 0.496183 0.507495
Br 0.470885 0.760045 0.48043
Br -0.0172232 0.67073 0.48691
Br 0.261918 0.81236 0.31019
Br 0.961124 0.262863 0.516948
Br 0.266738 0.313419 0.311799
Br 0.76771 0.938409 0.492502
C 0.361105 0.909694 0.811775
C 0.377141 0.710055 0.0984029
C 0.609642 0.128231 0.949634
C 0.723282 0.814136 0.0764615
C 0.576445 0.734736 0.920851
C 0.353193 0.328343 0.0650137
C 0.725303 0.315508 0.0773313
C 0.23967 0.347239 0.0736288
C 0.838877 0.343858 0.0638645
C 0.650676 0.377594 0.119906
C 0.162352 0.26107 0.11189
C 0.453292 0.411802 0.663228
C 0.365705 0.459012 0.719641
C 0.36246 0.413747 0.80983
C 0.275759 0.470605 0.859552
C 0.304849 0.563508 0.890721
C 0.16326 0.435836 0.871381
C 0.0817717 0.49345 0.912108
C 0.11171 0.586323 0.942503
C 0.223582 0.620839 0.932215
C 0.721667 0.10405 0.934794
C 0.450846 0.903061 0.666115
C 0.225213 0.121323 0.931013
C 0.112992 0.0883717 0.941073
C 0.0818404 0.994992 0.911678
C 0.162552 0.935403 0.872079
C 0.305737 0.062067 0.890645
C 0.275409 0.968684 0.860471
C 0.364867 0.953791 0.721426
C 0.876788 0.435075 0.0924057
C 0.849254 0.879236 0.80731
C 0.654543 0.816714 0.876655
C 0.95445 0.493405 0.317248
C 0.0532855 0.572861 0.278445
C 0.687541 0.469327 0.148848
C 0.093336 0.566506 0.18979
C 0.606544 0.533941 0.196701
C 0.182455 0.65392 0.147989
C 0.581832 0.479236 0.286225
C 0.892296 0.462675 0.651224
C 0.509535 0.0368507 0.338215
C 0.873191 0.940914 0.0838811
C 0.918018 0.968277 0.659358
C 0.847134 0.378285 0.803287
C 0.799679 0.186166 0.890174
C 0.154325 0.763119 0.118364
C 0.848923 0.875437 0.718279
C 0.648685 0.876344 0.118929
C 0.767071 0.293281 0.860075
C 0.236049 0.844663 0.0788918
C 0.604725 0.0344664 0.193821
C 0.19649 0.154219 0.141633
C 0.767052 0.792979 0.860682
C 0.65458 0.317113 0.876467
C 0.609683 0.627888 0.950166
C 0.799627 0.685853 0.890897
C 0.579866 0.973436 0.281956
C 0.508901 0.545874 0.338763
C 0.721727 0.603632 0.935371
C 0.347885 0.818493 0.0691374
C 0.801564 0.497728 0.134129
C 0.294909 0.628374 0.137071
C 0.684867 0.971706 0.144005
C 0.834754 0.37032 0.716671
C 0.944717 -0.00426835 0.29025
C 0.388558 0.222347 0.0937467
C 0.0347903 0.0866137 0.255254
C 0.57646 0.235145 0.920463
C 0.797888 0.00394495 0.12523
C 0.113154 0.0606609 0.182191
C 0.310545 0.136031 0.131109
C 0.836223 0.845922 0.0593984
H 0.452956 0.453175 0.600836
H 0.383199 0.549641 0.707784
H 0.537012 0.424344 0.676496
H 0.487654 0.239988 0.699222
H 0.921398 0.507109 0.377843
H 0.448053 0.26794 0.610459
H 0.0261381 0.657304 0.282776
H 0.124759 0.483427 0.184611
H 0.0737678 0.276756 0.117697
H 0.961089 0.966655 0.0695868
H 0.826366 0.0794531 0.143161
H 0.361352 0.479246 0.310236
H 0.283281 0.44696 0.703395
H 0.980995 0.90532 0.399186
H 0.06408 0.87377 0.319987
H 0.0214173 0.57692 0.158138
H 0.35125 0.262491 0.691067
H 0.340198 0.576132 0.36669
H 0.45291 0.944598 0.603342
H 0.343829 0.322873 0.8235
H 0.928854 0.826856 0.342064
H 0.249793 0.193282 0.954782
H 0.0500358 0.135432 0.971741
H -0.00561384 0.968619 0.919813
H 0.138279 0.861711 0.849832
H 0.39349 0.0883504 0.882122
H 0.341305 0.819042 0.826291
H 0.443911 0.923426 0.826755
H 0.282003 0.942706 0.705483
H 0.384233 0.0441736 0.708435
H 0.534532 0.912465 0.68046
H 0.481537 0.730976 0.701655
H 0.344423 0.755977 0.695169
H 0.440503 0.762973 0.612748
H 0.24733 0.692193 0.956987
H 0.0482105 0.631411 0.974464
H -0.00537315 0.465789 0.92036
H 0.139732 0.363114 0.847792
H 0.392305 0.590953 0.882241
H 0.445012 0.428102 0.825076
H 0.876202 0.0263207 0.328994
H 0.561894 0.355068 0.130837
H 0.0820759 0.103299 0.301809
H 0.061809 0.882037 0.685992
H 0.828284 0.463104 0.813463
H 0.860853 0.288527 0.703873
H 0.746159 0.372475 0.711633
H 0.871614 0.452588 0.592948
H 0.0864557 0.988133 0.608183
H 0.0522693 0.498576 0.584787
H 0.827723 0.96333 0.817814
H 0.387909 0.61587 0.268669
H 0.897135 0.295693 0.0301256
H -0.00897315 0.163049 0.237195
H 0.560505 0.850715 0.132904
H 0.694006 0.741339 0.055859
H 0.548727 0.0637245 0.983982
H 0.909551 0.965355 0.242737
H 0.0638065 0.0166898 0.700772
H 0.891692 0.0511544 0.668904
H 0.910547 0.961792 0.597424
H 0.545685 0.120745 0.335048
H 0.389168 0.107494 0.268577
H 0.356283 0.974156 0.315403
H 0.529034 0.539712 0.17106
H 0.640289 0.619699 0.191287
H 0.545154 0.394113 0.293802
H 0.659996 0.469018 0.31038
H 0.541347 0.889825 0.286397
H 0.0471061 0.509426 0.679764
H 0.932954 0.362737 0.813334
H 0.867785 0.545447 0.661992
H 0.932918 0.864031 0.822345
H 0.499149 0.504765 0.402206
H 0.875224 0.793616 0.705624
H 0.763459 0.882344 0.705906
H 0.337726 0.0517581 0.150747
H 0.489133 0.754245 0.93256
H 0.476821 0.206103 0.0854461
H 0.548791 0.563481 0.984702
H 0.887091 0.666362 0.878461
H 0.157662 0.984418 0.199593
H 0.121731 0.558195 0.313374
H 0.990336 0.339216 0.38493
H 0.0579042 0.360827 0.290558
H 0.91853 0.324055 0.312435
H 0.886759 0.505296 0.281936
H 0.0621584 0.0419962 0.138254
H 0.211648 0.429097 0.0493584
H 0.894595 0.797225 0.026242
H 0.464081 0.688586 0.0891047
H 0.0455558 0.381931 0.655262
H 0.501068 -0.00844667 0.40051
H 0.639503 0.118973 0.191464
H 0.965287 0.458401 0.080864
H 0.527287 0.0435449 0.168199
H 0.317307 0.542369 0.156973
H 0.413627 0.395541 0.0345805
H 0.748045 0.520604 0.958716
H 0.628798 0.900183 0.853293
H 0.543731 0.630915 0.333517
H 0.41172 0.881775 0.0375291
H 0.489161 0.254704 0.931957
H 0.747841 0.0208777 0.957817
H 0.0669346 0.78393 0.125556
H 0.88701 0.166451 0.877187
H 0.342763 0.0787109 0.366284
H 0.695512 0.245623 0.0537019
H 0.212688 0.928404 0.0544206
H 0.83054 0.570605 0.155092
H 0.628762 0.400511 0.852958
H 0.658436 0.958805 0.305109
I 0.647504 0.120918 0.705436
I 0.649313 0.631112 0.704043
I 0.146538 0.210116 0.704298
I 0.139934 0.696159 0.701365
N 0.426493 0.780868 0.670896
N 0.433304 0.288944 0.667337
N 0.3931 0.0505056 0.320376
N 0.983935 0.894845 0.3406
N 0.393391 0.555846 0.318523
N 0.016459 0.462288 0.642826
N 0.0395124 0.963443 0.665295
N 0.983452 0.372655 0.325254
Sn 0.71841 0.686063 0.498742
Sn 0.713054 0.184224 0.50286
Sn 0.21507 0.749076 0.495868
Sn 0.213092 0.249042 0.497806
_chemical_name_systematic        (PPA)2SnBr3I
