data_4plus2_disorder_deg6_class3
_audit_creation_method         'generated by CrystalMaker X for macOS'
_cell_length_a                  10.000000
_cell_length_b                  10.000000
_cell_length_c                  26.877899
_cell_angle_alpha               90.000000
_cell_angle_beta                90.000000
_cell_angle_gamma               90.000000

_symmetry_space_group_name_H-M     'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'+x,+y,+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C1  C 1.0  0.298918575048  0.399640053511  0.055239517242
 C2  C 1.0  0.35358980298  0.639428496361  0.027373725548
 C3  C 1.0  0.520006775856  0.446898490191  0.022255051881
 C4  C 1.0  0.435837477446  0.332077562809  0.044872645289
 C5  C 1.0  0.48478102684  0.581928014755  0.049468919635
 C6  C 1.0  0.267939984798  0.51165497303  0.018791396171
 C7  C 1.0  0.360173255205  0.43404045701  0.107976466417
 C8  C 1.0  0.58396166563  0.302536338568  0.12646573782
 C9  C 1.0  0.579972565174  0.549340128899  0.138614058495
 C10  C 1.0  0.449061840773  0.3081394732  0.101650714874
 C11  C 1.0  0.453350663185  0.557140529156  0.105251401663
 C12  C 1.0  0.672899723053  0.429430514574  0.127514287829
 C13  C 1.0  0.599967300892  0.300480335951  0.183874964714
 C14  C 1.0  0.551468014717  0.548475205898  0.195399269462
 C15  C 1.0  0.77097761631  0.466198831797  0.219032496214
 C16  C 1.0  0.736780285835  0.371629685163  0.176700517535
 C17  C 1.0  0.684294104576  0.595435082912  0.219381153584
 C18  C 1.0  0.518063008785  0.4032330513  0.214366018772
 C19  C 1.0  0.466961503029  0.443437248468  0.307701468468
 C20  C 1.0  0.709436058998  0.440536648035  0.272241741419
 C21  C 1.0  0.593877375126  0.655009031296  0.311775445938
 C22  C 1.0  0.565340220928  0.384537577629  0.269018560648
 C23  C 1.0  0.451014727354  0.597119808197  0.309154689312
 C24  C 1.0  0.696376860142  0.594092726707  0.276928067207
 C25  C 1.0  0.491906255484  0.416546732187  0.363515287638
 C26  C 1.0  0.388097167015  0.628328740597  0.362073808908
 C27  C 1.0  0.622929573059  0.636405825615  0.367612451315
 C28  C 1.0  0.617345929146  0.48782941699  0.38534244895
 C29  C 1.0  0.500234663486  0.705148458481  0.390377938747
 C30  C 1.0  0.370132029057  0.488734841347  0.386538088322
 C31  C 1.0  0.366705805063  0.486726731062  0.444416999817
 C32  C 1.0  0.614996314049  0.480318188667  0.444200396538
 C33  C 1.0  0.496641993523  0.6981985569  0.448002755642
 C34  C 1.0  0.488438278437  0.409910172224  0.464983463287
 C35  C 1.0  0.369530558586  0.628494143486  0.466957330704
 C36  C 1.0  0.618577241898  0.620243966579  0.468761980534
 C37  C 1.0  0.489127874374  0.40379807353  0.523444592953
 C38  C 1.0  0.369065374136  0.625040411949  0.524611353874
 C39  C 1.0  0.618121027946  0.612091481686  0.52756524086
 C40  C 1.0  0.618875980377  0.463300138712  0.544492661953
 C41  C 1.0  0.494934618473  0.685663998127  0.549072980881
 C42  C 1.0  0.373402804136  0.484164595604  0.547949969769
 C43  C 1.0  0.402585178614  0.514464199543  0.603876411915
 C44  C 1.0  0.632745623589  0.433672606945  0.601303935051
 C45  C 1.0  0.600185930729  0.665889561176  0.636885821819
 C46  C 1.0  0.496476352215  0.412113159895  0.627293884754
 C47  C 1.0  0.47251495719  0.655844986439  0.604697942734
 C48  C 1.0  0.700846374035  0.546518206596  0.629606127739
 C49  C 1.0  0.503127038479  0.426772236824  0.684807419777
 C50  C 1.0  0.576733887196  0.669233381748  0.693942368031
 C51  C 1.0  0.741186857224  0.504937469959  0.682681798935
 C52  C 1.0  0.641897857189  0.405373364687  0.708451271057
 C53  C 1.0  0.71814340353  0.630266368389  0.714481174946
 C54  C 1.0  0.469826608896  0.563864588737  0.709248244762
 C55  C 1.0  0.459550023079  0.638653159142  0.802939713001
 C56  C 1.0  0.624947667122  0.45969197154  0.763406932354
 C57  C 1.0  0.704112529755  0.671138942242  0.810609102249
 C58  C 1.0  0.483714997768  0.525620222092  0.764742076397
 C59  C 1.0  0.570648908615  0.746301472187  0.808523774147
 C60  C 1.0  0.726901590824  0.573915779591  0.767684102058
 C61  C 1.0  0.442979365587  0.595673203468  0.858008265495
 C62  C 1.0  0.551886379719  0.803656220436  0.862091124058
 C63  C 1.0  0.697101593018  0.613866508007  0.863705337048
 C64  C 1.0  0.572900652885  0.526313900948  0.877503931522
 C65  C 1.0  0.662921130657  0.737921118736  0.895553708076
 C66  C 1.0  0.426495224237  0.735034704208  0.883425951004
 C67  C 1.0  0.591643869877  0.684261083603  0.943263173103
 C68  C 1.0  0.448284864426  0.739337801933  0.940030395985
 C69  C 1.0  0.582788705826  0.531125426292  0.935007929802
 C70  C 1.0  0.344731003046  0.66411036253  0.970357656479
 C71  C 1.0  0.478742569685  0.454123049974  0.966680765152
 C72  C 1.0  0.334093272686  0.510402321815  0.965317606926
 H1  H 1.0  0.217412799597  0.326706945896  0.059347171336
 H2  H 1.0  0.597405433655  0.201858088374  0.202115312219
 H3  H 1.0  0.567607760429  0.65382796526  0.046296745539
 H4  H 1.0  0.160692125559  0.534180521965  0.015436186455
 H5  H 1.0  0.43961879611  0.243318736553  0.020620245486
 H6  H 1.0  0.314312905073  0.719075977802  0.051622923464
 H7  H 1.0  0.627704441547  0.425367206335  0.025088410825
 H8  H 1.0  0.391025096178  0.217592820525  0.110924981534
 H9  H 1.0  0.398105949163  0.645825445652  0.118592381477
 H10  H 1.0  0.740224063396  0.448333978653  0.096000522375
 H11  H 1.0  0.291240990162  0.438260495663  0.139773577452
 H12  H 1.0  0.64163595438  0.217456743121  0.111453153193
 H13  H 1.0  0.634964704514  0.64284324646  0.130859017372
 H14  H 1.0  0.721768975258  0.685291230679  0.200206622481
 H15  H 1.0  0.41001316905  0.383126616478  0.21160428226
 H16  H 1.0  0.817507624626  0.301299065351  0.167425081134
 H17  H 1.0  0.469146728516  0.617902040482  0.203865647316
 H18  H 1.0  0.878415942192  0.487777650356  0.222353681922
 H19  H 1.0  0.567692935467  0.27569386363  0.276020526886
 H20  H 1.0  0.391375184059  0.637145042419  0.278312414885
 H21  H 1.0  0.795225441456  0.637178778648  0.285860896111
 H22  H 1.0  0.369097948074  0.397591799498  0.298980116844
 H23  H 1.0  0.771547198296  0.386597186327  0.299305707216
 H24  H 1.0  0.591191351414  0.7638707757  0.304597258568
 H25  H 1.0  0.498678058386  0.810859978199  0.378769725561
 H26  H 1.0  0.277829825878  0.442360281944  0.372262567282
 H27  H 1.0  0.7078602314  0.435988903046  0.372532755136
 H28  H 1.0  0.495107203722  0.308703452349  0.371740788221
 H29  H 1.0  0.294195860624  0.684975206852  0.359827280045
 H30  H 1.0  0.71863514185  0.68240237236  0.378408282995
 H31  H 1.0  0.485086530447  0.306437700987  0.451144903898
 H32  H 1.0  0.281268715858  0.684252679348  0.453849315643
 H33  H 1.0  0.710607528687  0.672430217266  0.457588881254
 H34  H 1.0  0.274330079556  0.436112910509  0.456373631954
 H35  H 1.0  0.704063117504  0.423373997211  0.455300688744
 H36  H 1.0  0.499003320932  0.801150977612  0.462423175573
 H37  H 1.0  0.504309773445  0.794045865536  0.542694926262
 H38  H 1.0  0.278202742338  0.430130571127  0.543807268143
 H39  H 1.0  0.706093907356  0.415550202131  0.527021288872
 H40  H 1.0  0.480826169252  0.298106282949  0.534633457661
 H41  H 1.0  0.280086666346  0.678146123886  0.53872025013
 H42  H 1.0  0.709345579147  0.661628246307  0.541119039059
 H43  H 1.0  0.459839493036  0.310403585434  0.619292020798
 H44  H 1.0  0.400537073612  0.730400145054  0.618813037872
 H45  H 1.0  0.790742695332  0.580609083176  0.609619319439
 H46  H 1.0  0.307115852833  0.518545687199  0.624221861362
 H47  H 1.0  0.693367600441  0.341983556747  0.604905724525
 H48  H 1.0  0.650911450386  0.759892582893  0.626537203789
 H49  H 1.0  0.790266811848  0.711308658123  0.707089722157
 H50  H 1.0  0.368889927864  0.600338876247  0.70009547472
 H51  H 1.0  0.676538586617  0.301172614098  0.706955611706
 H52  H 1.0  0.431782096624  0.353940844536  0.700470864773
 H53  H 1.0  0.544599115849  0.769270479679  0.705932974815
 H54  H 1.0  0.844615757465  0.467555820942  0.684387862682
 H55  H 1.0  0.407666802406  0.448190331459  0.772467970848
 H56  H 1.0  0.567554712296  0.823455989361  0.779584765434
 H57  H 1.0  0.828436613083  0.53153949976  0.771851539612
 H58  H 1.0  0.365184962749  0.688091695309  0.791926145554
 H59  H 1.0  0.638483345509  0.381390690804  0.791498064995
 H60  H 1.0  0.787155032158  0.744240522385  0.810261487961
 H61  H 1.0  0.748636841774  0.803651154041  0.902921020985
 H62  H 1.0  0.331563413143  0.781471788883  0.871777832508
 H63  H 1.0  0.579124450684  0.423367291689  0.863363087177
 H64  H 1.0  0.355983912945  0.529961705208  0.86330395937
 H65  H 1.0  0.549682676792  0.913368523121  0.864062130451
 H66  H 1.0  0.789836704731  0.562688469887  0.875038921833
 H67  H 1.0  0.27452903986  0.468998640776  0.9346550107
 H68  H 1.0  0.447269529104  0.845547795296  0.951567351818
 H69  H 1.0  0.680428802967  0.486113339663  0.944621443748
 H70  H 1.0  0.245558843017  0.709044218063  0.963450193405
 H71  H 1.0  0.478094786406  0.350424766541  0.952510535717
 H72  H 1.0  0.64335757494  0.711702346802  0.977750599384

