data_fullydisorder_deg6_class3
_audit_creation_method         'generated by CrystalMaker X for macOS'
_cell_length_a                  10.000000
_cell_length_b                  10.000000
_cell_length_c                  27.601999
_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  0.081196002662  0.538525998592  0.679147601128
 C2  C 1.0  0.086455002427  0.538293004036  0.735697805882
 C3  C 1.0  0.170286998153  0.45791503787  0.599030911922
 C4  C 1.0  0.164452001452  0.427334994078  0.81452691555
 C5  C 1.0  0.26063901186  0.544712007046  0.508445441723
 C6  C 1.0  0.149035006762  0.414764970541  0.758541107178
 C7  C 1.0  0.147205993533  0.419966995716  0.653580605984
 C8  C 1.0  0.22613298893  0.604596018791  0.59508150816
 C9  C 1.0  0.180879995227  0.658954024315  0.678220450878
 C10  C 1.0  0.26830598712  0.374810010195  0.889277279377
 C11  C 1.0  0.36615100503  0.313338011503  0.979495346546
 C12  C 1.0  0.320307999849  0.608367025852  0.462852686644
 C13  C 1.0  0.259256005287  0.423379004002  0.059839505702
 C14  C 1.0  0.345295995474  0.347510010004  0.09671908617
 C15  C 1.0  0.377452999353  0.3183170259  0.922353863716
 C16  C 1.0  0.307911008596  0.401456028223  0.521127462387
 C17  C 1.0  0.428449004889  0.328749001026  0.176755681634
 C18  C 1.0  0.348551988602  0.540467977524  0.413057386875
 C19  C 1.0  0.187555000186  0.657194018364  0.734453678131
 C20  C 1.0  0.181317999959  0.566433012486  0.839751124382
 C21  C 1.0  0.337978005409  0.419745028019  0.14626839757
 C22  C 1.0  0.292228013277  0.361066013575  0.834243178368
 C23  C 1.0  0.451370000839  0.362091004848  0.231094136834
 C24  C 1.0  0.324357002974  0.615018010139  0.552547991276
 C25  C 1.0  0.283293008804  0.373619019985  0.576820552349
 C26  C 1.0  0.241087004542  0.527595996857  0.891668379307
 C27  C 1.0  0.296748995781  0.629983007908  0.643477678299
 C28  C 1.0  0.436942011118  0.417886018753  0.424106955528
 C29  C 1.0  0.48028498888  0.379571020603  0.328363180161
 C30  C 1.0  0.287068009377  0.391032010317  0.734834432602
 C31  C 1.0  0.500568032265  0.350360989571  0.090699590743
 C32  C 1.0  0.285623013973  0.394880026579  0.677793979645
 C33  C 1.0  0.597065031528  0.332470983267  0.245925679803
 C34  C 1.0  0.517614006996  0.354948997498  0.982154965401
 C35  C 1.0  0.555592000484  0.334343016148  0.144550397992
 C36  C 1.0  0.302578002214  0.57251304388  0.05734475702
 C37  C 1.0  0.438307017088  0.517241001129  0.305448532104
 C38  C 1.0  0.424239009619  0.506942987442  0.248015731573
 C39  C 1.0  0.474771976471  0.626061022282  0.462350577116
 C40  C 1.0  0.462653011084  0.646516025066  0.406852066517
 C41  C 1.0  0.531735002995  0.383244007826  0.381685018539
 C42  C 1.0  0.508866012096  0.397137016058  0.928011417389
 C43  C 1.0  0.611899018288  0.341834008694  0.302195489407
 C44  C 1.0  0.460061997175  0.42654800415  0.518825829029
 C45  C 1.0  0.317046999931  0.633484005928  0.762166142464
 C46  C 1.0  0.376463025808  0.497611999512  0.651972353458
 C47  C 1.0  0.294283002615  0.653144001961  0.816264033318
 C48  C 1.0  0.405301004648  0.56178098917  0.139495328069
 C49  C 1.0  0.454860031605  0.527328014374  0.562077403069
 C50  C 1.0  0.411653995514  0.432440012693  0.6026070714
 C51  C 1.0  0.409770011902  0.449520021677  0.81455552578
 C52  C 1.0  0.512579023838  0.477459996939  0.469638794661
 C53  C 1.0  0.381740003824  0.48991099  0.760051846504
 C54  C 1.0  0.378554016352  0.598641037941  0.893648266792
 C55  C 1.0  0.537127017975  0.485646009445  0.06671255827
 C56  C 1.0  0.43256303668  0.588629007339  0.085246361792
 C57  C 1.0  0.416081994772  0.589640021324  0.83998811245
 C58  C 1.0  0.684831023216  0.433147013187  0.217759594321
 C59  C 1.0  0.484102010727  0.549512028694  0.929529428482
 C60  C 1.0  0.45991101861  0.584379017353  0.983588218689
 C61  C 1.0  0.633778989315  0.45397901535  0.164596050978
 C62  C 1.0  0.543155014515  0.626035034657  0.318945020437
 C63  C 1.0  0.580159008503  0.622036993504  0.372772663832
 C64  C 1.0  0.522096037865  0.603416025639  0.222227394581
 C65  C 1.0  0.536633014679  0.577504038811  0.167843639851
 C66  C 1.0  0.647665977478  0.482253998518  0.375390201807
 C67  C 1.0  0.704002022743  0.453898012638  0.322892904282
 C68  C 1.0  0.664587020874  0.573287010193  0.24010579288
 C69  C 1.0  0.676301002502  0.585036993027  0.295249998569
 C70  C 1.0  0.271637022495  0.413561016321  1.002964735031
 C71  C 1.0  0.316769003868  0.563726007938  1.001414060593
 C72  C 1.0  0.550252020359  0.483323007822  1.010391712189
 H1  H 1.0  0.075397998095  0.446974009275  0.579216003418
 H2  H 1.0  0.150978013873  0.554798007011  0.50832515955
 H3  H 1.0  0.076237998903  0.379484027624  0.831089437008
 H4  H 1.0  0.14454600215  0.676998019218  0.58942180872
 H5  H 1.0  0.17516900599  0.319683998823  0.897354900837
 H6  H 1.0  0.084366001189  0.327475011349  0.751513361931
 H7  H 1.0  0.309536010027  0.243901997805  0.100738361478
 H8  H 1.0  0.134001001716  0.752262055874  0.665569186211
 H9  H 1.0  0.344258010387  0.212420985103  0.993349432945
 H10  H 1.0  0.084036000073  0.329832017422  0.655580401421
 H11  H 1.0  0.154314011335  0.409884035587  0.070846684277
 H12  H 1.0  0.171276003122  0.399749010801  0.987340807915
 H13  H 1.0  0.386110007763  0.227012991905  0.175523519516
 H14  H 1.0  0.270595997572  0.705236017704  0.456568032503
 H15  H 1.0  0.268372029066  0.527438044548  0.38643142581
 H16  H 1.0  0.383557021618  0.296158015728  0.25138759613
 H17  H 1.0  0.399576991796  0.215825006366  0.909960210323
 H18  H 1.0  0.235247001052  0.42874699831  0.160225719213
 H19  H 1.0  0.086294002831  0.620968997478  0.842426717281
 H20  H 1.0  0.267935991287  0.322007983923  0.497869729996
 H21  H 1.0  0.400156021118  0.30530500412  0.323882341385
 H22  H 1.0  0.143785998225  0.750167012215  0.748791456223
 H23  H 1.0  0.304751008749  0.256108015776  0.82301145792
 H24  H 1.0  0.378262013197  0.328834027052  0.433579832315
 H25  H 1.0  0.173409998417  0.555464982986  0.921133697033
 H26  H 1.0  0.623309016228  0.230127006769  0.234634816647
 H27  H 1.0  0.269268989563  0.266010016203  0.583237469196
 H28  H 1.0  0.34877499938  0.720570027828  0.545714139938
 H29  H 1.0  0.537569999695  0.267008990049  0.068581260741
 H30  H 1.0  0.340512007475  0.547330021858  0.319669604301
 H31  H 1.0  0.616158008575  0.242755010724  0.147226646543
 H32  H 1.0  0.321119010448  0.534780979156  0.238315716386
 H33  H 1.0  0.584844052792  0.270665019751  0.989613115788
 H34  H 1.0  0.3201200068  0.289492994547  0.74451816082
 H35  H 1.0  0.419764012098  0.746098995209  0.399562358856
 H36  H 1.0  0.365099012852  0.716135978699  0.640808284283
 H37  H 1.0  0.646938979626  0.244449004531  0.315834373236
 H38  H 1.0  0.227561995387  0.645123004913  0.069973193109
 H39  H 1.0  0.247393995523  0.630231022835  0.982262909412
 H40  H 1.0  0.32063600421  0.295314997435  0.666418731213
 H41  H 1.0  0.572066009045  0.282411009073  0.389011323452
 H42  H 1.0  0.335128992796  0.639111995697  0.15237121284
 H43  H 1.0  0.591389000416  0.370045989752  0.903623700142
 H44  H 1.0  0.525658011436  0.699397981167  0.485471010208
 H45  H 1.0  0.281236022711  0.759357988834  0.825799286366
 H46  H 1.0  0.51714104414  0.337104022503  0.529544949532
 H47  H 1.0  0.391406029463  0.708105027676  0.750254392624
 H48  H 1.0  0.504877030849  0.394973009825  0.817585349083
 H49  H 1.0  0.469714015722  0.516646027565  0.671795904636
 H50  H 1.0  0.362493991852  0.705943048  0.901413679123
 H51  H 1.0  0.487374037504  0.354405015707  0.608971834183
 H52  H 1.0  0.5461140275  0.58545601368  0.569039583206
 H53  H 1.0  0.620844006538  0.459995001554  0.467791467905
 H54  H 1.0  0.790268003941  0.401493996382  0.218316793442
 H55  H 1.0  0.478532999754  0.494539022446  0.741347372532
 H56  H 1.0  0.508217036724  0.725624978542  0.307624846697
 H57  H 1.0  0.635457992554  0.516669988632  0.080263391137
 H58  H 1.0  0.471594005823  0.691167056561  0.081282161176
 H59  H 1.0  0.72069901228  0.477817028761  0.141761466861
 H60  H 1.0  0.49235200882  0.707795023918  0.228873640299
 H61  H 1.0  0.578579008579  0.599509000778  0.919487059116
 H62  H 1.0  0.489464014769  0.688830018044  0.990651428699
 H63  H 1.0  0.510924041271  0.640326023102  0.831136584282
 H64  H 1.0  0.654930055141  0.701228022575  0.379497885704
 H65  H 1.0  0.810194969177  0.425784021616  0.322666496038
 H66  H 1.0  0.724722027779  0.475075006485  0.403530180454
 H67  H 1.0  0.588442027569  0.665570020676  0.152756690979
 H68  H 1.0  0.734427988529  0.643554031849  0.222554892302
 H69  H 1.0  0.753342032433  0.659364998341  0.304727554321
 H70  H 1.0  0.655158996582  0.507382035255  1.001439094543
 H71  H 1.0  -0.018447000533  0.55896705389  0.663940310478
 H72  H 1.0  -0.01002300065  0.562117993832  0.752803444862

