data_4plus2_disorder_deg6_class2
_audit_creation_method         'generated by CrystalMaker X for macOS'
_cell_length_a                  10.000000
_cell_length_b                  10.000000
_cell_length_c                  27.949499
_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  0.35946804285  0.539061248302  0.021767687052
 C2  C 1.0  0.51819050312  0.338498860598  0.024012457579
 C3  C 1.0  0.583219647408  0.578920722008  0.059086680412
 C4  C 1.0  0.368131995201  0.384414672852  0.021610271186
 C5  C 1.0  0.433671295643  0.620907962322  0.059105008841
 C6  C 1.0  0.60820120573  0.465361356735  0.023385319859
 C7  C 1.0  0.445072710514  0.372298002243  0.13654075563
 C8  C 1.0  0.38837441802  0.61722445488  0.112499929965
 C9  C 1.0  0.61963146925  0.560290813446  0.112200737
 C10  C 1.0  0.591462314129  0.426145851612  0.136053398252
 C11  C 1.0  0.519813001156  0.649883210659  0.13985055685
 C12  C 1.0  0.336161971092  0.484668403864  0.133736774325
 C13  C 1.0  0.290821820498  0.507818937302  0.186422243714
 C14  C 1.0  0.460253953934  0.345182687044  0.191020831466
 C15  C 1.0  0.519885599613  0.600237429142  0.192705750465
 C16  C 1.0  0.32696685195  0.379402816296  0.214494362473
 C17  C 1.0  0.377531588078  0.612110078335  0.213649898767
 C18  C 1.0  0.57299810648  0.452969878912  0.190416097641
 C19  C 1.0  0.41601780057  0.349825650454  0.303472578526
 C20  C 1.0  0.35315066576  0.574216902256  0.267118871212
 C21  C 1.0  0.593659698963  0.530528068542  0.305208712816
 C22  C 1.0  0.569445848465  0.375444710255  0.302990853786
 C23  C 1.0  0.45832234621  0.605774641037  0.30472239852
 C24  C 1.0  0.325309514999  0.42139044404  0.267484843731
 C25  C 1.0  0.391213178635  0.398731321096  0.355451613665
 C26  C 1.0  0.614531576633  0.320347309113  0.352932363749
 C27  C 1.0  0.597948431969  0.554004669189  0.359918951988
 C28  C 1.0  0.483401924372  0.297277390957  0.381716907024
 C29  C 1.0  0.441110134125  0.547498226166  0.357048332691
 C30  C 1.0  0.674497544765  0.438328593969  0.38197889924
 C31  C 1.0  0.527716338634  0.307268798351  0.434363782406
 C32  C 1.0  0.382539272308  0.496090739965  0.477757096291
 C33  C 1.0  0.634912312031  0.508163869381  0.474094510078
 C34  C 1.0  0.650467455387  0.401852339506  0.434867411852
 C35  C 1.0  0.505608379841  0.593626976013  0.479020446539
 C36  C 1.0  0.429533571005  0.349263310432  0.472639590502
 C37  C 1.0  0.364252924919  0.467809647322  0.531734883785
 C38  C 1.0  0.623737990856  0.43971696496  0.523651242256
 C39  C 1.0  0.513197720051  0.647179186344  0.5328130126
 C40  C 1.0  0.484387278557  0.366860210896  0.524851441383
 C41  C 1.0  0.38299497962  0.601061701775  0.557403147221
 C42  C 1.0  0.628459274769  0.565079927444  0.555677950382
 C43  C 1.0  0.445803791285  0.36447378993  0.638198673725
 C44  C 1.0  0.381220042706  0.605635821819  0.61349606514
 C45  C 1.0  0.623356282711  0.551381766796  0.610653817654
 C46  C 1.0  0.592435419559  0.417738586664  0.634664654732
 C47  C 1.0  0.518804013729  0.640034079552  0.635480701923
 C48  C 1.0  0.334926754236  0.475847154856  0.638189017773
 C49  C 1.0  0.300072938204  0.500733137131  0.69211435318
 C50  C 1.0  0.469553828239  0.33919480443  0.692308366299
 C51  C 1.0  0.527082443237  0.59688526392  0.689275383949
 C52  C 1.0  0.335706144571  0.367814421654  0.716560602188
 C53  C 1.0  0.390353798866  0.609876453876  0.714254200459
 C54  C 1.0  0.580363571644  0.449021488428  0.688865542412
 C55  C 1.0  0.321310847998  0.36794167757  0.771551072598
 C56  C 1.0  0.394996494055  0.60478490591  0.770299434662
 C57  C 1.0  0.562559247017  0.410945653915  0.802136719227
 C58  C 1.0  0.43644964695  0.317104876041  0.803368330002
 C59  C 1.0  0.523645758629  0.563135921955  0.795561134815
 C60  C 1.0  0.297389537096  0.506965696812  0.79479932785
 C61  C 1.0  0.349645346403  0.489754289389  0.848428368568
 C62  C 1.0  0.459699869156  0.275739938021  0.89215952158
 C63  C 1.0  0.602847218513  0.452073454857  0.854375779629
 C64  C 1.0  0.370488137007  0.336125552654  0.853047013283
 C65  C 1.0  0.490999281406  0.558239817619  0.849577009678
 C66  C 1.0  0.598250567913  0.345173090696  0.892604649067
 C67  C 1.0  0.416257739067  0.270386308432  0.945039272308
 C68  C 1.0  0.419636368752  0.528275728226  0.969536662102
 C69  C 1.0  0.626481235027  0.380860686302  0.945255279541
 C70  C 1.0  0.54842031002  0.273247599602  0.974171161652
 C71  C 1.0  0.575301826  0.508313059807  0.971311807632
 C72  C 1.0  0.345419466496  0.389988213778  0.966874063015
 H1  H 1.0  0.390636116266  0.605466246605  0.943645000458
 H2  H 1.0  0.300490796566  0.325087755919  0.044174812734
 H3  H 1.0  0.426511108875  0.726700663567  0.048075728118
 H4  H 1.0  0.714157640934  0.435154736042  0.025614440441
 H5  H 1.0  0.253958076239  0.569720089436  0.018862860277
 H6  H 1.0  0.53807169199  0.270967245102  0.05398869887
 H7  H 1.0  0.643806397915  0.663521289825  0.045893758535
 H8  H 1.0  0.543485999107  0.757208526134  0.137186184525
 H9  H 1.0  0.250541120768  0.447791427374  0.112869106233
 H10  H 1.0  0.663841068745  0.34670484066  0.127794712782
 H11  H 1.0  0.421276092529  0.287342488766  0.113300979137
 H12  H 1.0  0.310985326767  0.69396340847  0.118398532271
 H13  H 1.0  0.724762380123  0.587703585625  0.11913433671
 H14  H 1.0  0.256312280893  0.296874135733  0.207603558898
 H15  H 1.0  0.342750400305  0.715229392052  0.207369536161
 H16  H 1.0  0.65949845314  0.437653422356  0.213838666677
 H17  H 1.0  0.183943867683  0.533677101135  0.188813284039
 H18  H 1.0  0.499613076448  0.245405390859  0.199658155441
 H19  H 1.0  0.590402960777  0.661410570145  0.213501006365
 H20  H 1.0  0.476626187563  0.714149355888  0.307512253523
 H21  H 1.0  0.222497448325  0.404344826937  0.280529737473
 H22  H 1.0  0.621733129025  0.32770216465  0.273146629333
 H23  H 1.0  0.397004306316  0.241285413504  0.301354110241
 H24  H 1.0  0.260957539082  0.627315163612  0.277676999569
 H25  H 1.0  0.676833450794  0.565117776394  0.282688498497
 H26  H 1.0  0.439912170172  0.197637781501  0.375289589167
 H27  H 1.0  0.384182035923  0.607624351978  0.382804989815
 H28  H 1.0  0.781949520111  0.453512579203  0.374781310558
 H29  H 1.0  0.285544455051  0.391857266426  0.366258531809
 H30  H 1.0  0.679597198963  0.231863513589  0.351311355829
 H31  H 1.0  0.632525146008  0.654165267944  0.370439857244
 H32  H 1.0  0.496959716082  0.674652636051  0.452750384808
 H33  H 1.0  0.341713190079  0.2828091681  0.47355401516
 H34  H 1.0  0.738973915577  0.343677431345  0.446065247059
 H35  H 1.0  0.561332821846  0.205457106233  0.443964660168
 H36  H 1.0  0.297666609287  0.532692790031  0.456479161978
 H37  H 1.0  0.72328042984  0.574157714844  0.47363319993
 H38  H 1.0  0.487056940794  0.27763953805  0.547575414181
 H39  H 1.0  0.299645900726  0.664605379105  0.544919073582
 H40  H 1.0  0.723761200905  0.615081429482  0.547247707844
 H41  H 1.0  0.271472483873  0.413945138454  0.540297806263
 H42  H 1.0  0.705378651619  0.368378400803  0.530558347702
 H43  H 1.0  0.529731094837  0.755657434464  0.534999251366
 H44  H 1.0  0.540350437164  0.747443854809  0.631439268589
 H45  H 1.0  0.244957029819  0.436153709888  0.62056607008
 H46  H 1.0  0.662781596184  0.336679518223  0.626178026199
 H47  H 1.0  0.418298363686  0.278871834278  0.615774869919
 H48  H 1.0  0.309624910355  0.684556424618  0.623591423035
 H49  H 1.0  0.723180651665  0.579563081264  0.624349951744
 H50  H 1.0  0.267495721579  0.289919137955  0.702706098557
 H51  H 1.0  0.349422991276  0.708593785763  0.704592347145
 H52  H 1.0  0.669754624367  0.436940431595  0.711149811745
 H53  H 1.0  0.193822875619  0.527101874352  0.696370244026
 H54  H 1.0  0.512832403183  0.240745529532  0.700469076633
 H55  H 1.0  0.601648449898  0.660869777203  0.706946074963
 H56  H 1.0  0.612377464771  0.623330593109  0.786919891834
 H57  H 1.0  0.192371949553  0.538907766342  0.792866408825
 H58  H 1.0  0.46507537365  0.212621971965  0.796226501465
 H59  H 1.0  0.234892755747  0.303650766611  0.779830276966
 H60  H 1.0  0.374331444502  0.707172751427  0.783195734024
 H61  H 1.0  0.641481757164  0.370186030865  0.779190480709
 H62  H 1.0  0.272625178099  0.285238564014  0.853562355042
 H63  H 1.0  0.495125830173  0.650387108326  0.870972394943
 H64  H 1.0  0.675337016582  0.270719081163  0.882972300053
 H65  H 1.0  0.280805438757  0.532334208488  0.874896764755
 H66  H 1.0  0.473579287529  0.170690238476  0.880996406078
 H67  H 1.0  0.700883448124  0.50223171711  0.853377401829
 H68  H 1.0  0.627604067326  0.600260078907  0.960407376289
 H69  H 1.0  0.240203887224  0.402311325073  0.95626616478
 H70  H 1.0  0.599603712559  0.176103845239  0.975978672504
 H71  H 1.0  0.355706095695  0.18042626977  0.952309072018
 H72  H 1.0  0.735103309155  0.376559495926  0.951723515987

