#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_pd_phase_name                         'AutoCreatByScript: H C O Zr           '
_cell_length_a                         20.61646
_cell_length_b                         20.61646
_cell_length_c                         20.61646
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   H1         1.0     0.711610      0.624550      0.496286     Biso  1.000000 H
   H2         1.0     0.624544      0.711617      0.496283     Biso  1.000000 H
   H3         1.0     0.858800      0.771743      0.496626     Biso  1.000000 H
   H4         1.0     0.771735      0.858806      0.496623     Biso  1.000000 H
   H5         1.0     0.211600      0.124541      0.496251     Biso  1.000000 H
   H6         1.0     0.124534      0.211609      0.496257     Biso  1.000000 H
   H7         1.0     0.358788      0.271731      0.496704     Biso  1.000000 H
   H8         1.0     0.271729      0.358794      0.496707     Biso  1.000000 H
   H9         1.0     0.087253      0.587249      0.587249     Biso  1.000000 H
   H10        1.0     0.396174      0.896157      0.587009     Biso  1.000000 H
   H11        1.0     0.587246      0.087252      0.587242     Biso  1.000000 H
   H12        1.0     0.896157      0.396181      0.587017     Biso  1.000000 H
   H13        1.0     0.711604      0.496250      0.624554     Biso  1.000000 H
   H14        1.0     0.496259      0.711608      0.624550     Biso  1.000000 H
   H15        1.0     0.983360      0.771910      0.624703     Biso  1.000000 H
   H16        1.0     0.771908      0.983383      0.624711     Biso  1.000000 H
   H17        1.0     0.211621      0.996298      0.624560     Biso  1.000000 H
   H18        1.0     0.996299      0.211630      0.624563     Biso  1.000000 H
   H19        1.0     0.483401      0.271895      0.624700     Biso  1.000000 H
   H20        1.0     0.271902      0.483372      0.624712     Biso  1.000000 H
   H21        1.0     0.983782      0.858952      0.711781     Biso  1.000000 H
   H22        1.0     0.858941      0.983829      0.711796     Biso  1.000000 H
   H23        1.0     0.124551      0.996327      0.711621     Biso  1.000000 H
   H24        1.0     0.996331      0.124556      0.711621     Biso  1.000000 H
   H25        1.0     0.483844      0.358944      0.711770     Biso  1.000000 H
   H26        1.0     0.358939      0.483845      0.711793     Biso  1.000000 H
   H27        1.0     0.624541      0.496256      0.711625     Biso  1.000000 H
   H28        1.0     0.496246      0.624546      0.711623     Biso  1.000000 H
   H29        1.0     0.858795      0.496604      0.771742     Biso  1.000000 H
   H30        1.0     0.983400      0.624712      0.771901     Biso  1.000000 H
   H31        1.0     0.496625      0.858804      0.771734     Biso  1.000000 H
   H32        1.0     0.624699      0.983382      0.771894     Biso  1.000000 H
   H33        1.0     0.358802      0.996667      0.771757     Biso  1.000000 H
   H34        1.0     0.483456      0.124707      0.771907     Biso  1.000000 H
   H35        1.0     0.996675      0.358807      0.771764     Biso  1.000000 H
   H36        1.0     0.124698      0.483330      0.771900     Biso  1.000000 H
   H37        1.0     0.771735      0.496610      0.858808     Biso  1.000000 H
   H38        1.0     0.983814      0.711789      0.858944     Biso  1.000000 H
   H39        1.0     0.496613      0.771744      0.858803     Biso  1.000000 H
   H40        1.0     0.711766      0.983825      0.858944     Biso  1.000000 H
   H41        1.0     0.271734      0.996704      0.858815     Biso  1.000000 H
   H42        1.0     0.483904      0.211791      0.858943     Biso  1.000000 H
   H43        1.0     0.996713      0.271735      0.858820     Biso  1.000000 H
   H44        1.0     0.211770      0.483809      0.858947     Biso  1.000000 H
   H45        1.0     0.396161      0.587006      0.896172     Biso  1.000000 H
   H46        1.0     0.086990      0.896172      0.896157     Biso  1.000000 H
   H47        1.0     0.896167      0.087006      0.896172     Biso  1.000000 H
   H48        1.0     0.586986      0.396172      0.896155     Biso  1.000000 H
   H49        1.0     0.771895      0.624699      0.983376     Biso  1.000000 H
   H50        1.0     0.858943      0.711773      0.983844     Biso  1.000000 H
   H51        1.0     0.624704      0.771902      0.983374     Biso  1.000000 H
   H52        1.0     0.711786      0.858941      0.983841     Biso  1.000000 H
   H53        1.0     0.271892      0.124709      0.983407     Biso  1.000000 H
   H54        1.0     0.358936      0.211787      0.983801     Biso  1.000000 H
   H55        1.0     0.124695      0.271907      0.983386     Biso  1.000000 H
   H56        1.0     0.211773      0.358951      0.983776     Biso  1.000000 H
   H57        1.0     0.211614      0.624547      0.996333     Biso  1.000000 H
   H58        1.0     0.124546      0.711611      0.996313     Biso  1.000000 H
   H59        1.0     0.358797      0.771743      0.996688     Biso  1.000000 H
   H60        1.0     0.271733      0.858805      0.996679     Biso  1.000000 H
   H61        1.0     0.711614      0.124546      0.996348     Biso  1.000000 H
   H62        1.0     0.624545      0.211610      0.996314     Biso  1.000000 H
   H63        1.0     0.858796      0.271743      0.996704     Biso  1.000000 H
   H64        1.0     0.771733      0.358803      0.996674     Biso  1.000000 H
   H65        1.0     0.587238      0.587239      0.087266     Biso  1.000000 H
   H66        1.0     0.896177      0.896158      0.087010     Biso  1.000000 H
   H67        1.0     0.087233      0.087249      0.087266     Biso  1.000000 H
   H68        1.0     0.396162      0.396158      0.087000     Biso  1.000000 H
   H69        1.0     0.211600      0.496250      0.124551     Biso  1.000000 H
   H70        1.0     0.996319      0.711608      0.124541     Biso  1.000000 H
   H71        1.0     0.483426      0.771898      0.124711     Biso  1.000000 H
   H72        1.0     0.271891      0.983436      0.124718     Biso  1.000000 H
   H73        1.0     0.711620      0.996310      0.124544     Biso  1.000000 H
   H74        1.0     0.496266      0.211596      0.124541     Biso  1.000000 H
   H75        1.0     0.983457      0.271901      0.124727     Biso  1.000000 H
   H76        1.0     0.771901      0.483442      0.124712     Biso  1.000000 H
   H77        1.0     0.124537      0.496261      0.211618     Biso  1.000000 H
   H78        1.0     0.996298      0.624541      0.211608     Biso  1.000000 H
   H79        1.0     0.358934      0.983871      0.211795     Biso  1.000000 H
   H80        1.0     0.624543      0.996331      0.211599     Biso  1.000000 H
   H81        1.0     0.496263      0.124536      0.211614     Biso  1.000000 H
   H82        1.0     0.983909      0.358942      0.211806     Biso  1.000000 H
   H83        1.0     0.483870      0.858940      0.211787     Biso  1.000000 H
   H84        1.0     0.858940      0.483881      0.211791     Biso  1.000000 H
   H85        1.0     0.358788      0.496698      0.271738     Biso  1.000000 H
   H86        1.0     0.483398      0.624699      0.271907     Biso  1.000000 H
   H87        1.0     0.996698      0.858795      0.271730     Biso  1.000000 H
   H88        1.0     0.124695      0.983392      0.271913     Biso  1.000000 H
   H89        1.0     0.858787      0.996690      0.271752     Biso  1.000000 H
   H90        1.0     0.983477      0.124702      0.271922     Biso  1.000000 H
   H91        1.0     0.496709      0.358792      0.271722     Biso  1.000000 H
   H92        1.0     0.624701      0.483393      0.271904     Biso  1.000000 H
   H93        1.0     0.271729      0.496707      0.358802     Biso  1.000000 H
   H94        1.0     0.483839      0.711778      0.358950     Biso  1.000000 H
   H95        1.0     0.996680      0.771733      0.358792     Biso  1.000000 H
   H96        1.0     0.211772      0.983820      0.358955     Biso  1.000000 H
   H97        1.0     0.771715      0.996718      0.358802     Biso  1.000000 H
   H98        1.0     0.983929      0.211779      0.358965     Biso  1.000000 H
   H99        1.0     0.496702      0.271736      0.358788     Biso  1.000000 H
   H100       1.0     0.711776      0.483825      0.358948     Biso  1.000000 H
   H101       1.0     0.896163      0.586994      0.396161     Biso  1.000000 H
   H102       1.0     0.586984      0.896169      0.396153     Biso  1.000000 H
   H103       1.0     0.396157      0.087002      0.396173     Biso  1.000000 H
   H104       1.0     0.087005      0.396169      0.396183     Biso  1.000000 H
   H105       1.0     0.271897      0.624703      0.483350     Biso  1.000000 H
   H106       1.0     0.358941      0.711782      0.483814     Biso  1.000000 H
   H107       1.0     0.124701      0.771901      0.483330     Biso  1.000000 H
   H108       1.0     0.211778      0.858944      0.483797     Biso  1.000000 H
   H109       1.0     0.771901      0.124702      0.483367     Biso  1.000000 H
   H110       1.0     0.858943      0.211779      0.483843     Biso  1.000000 H
   H111       1.0     0.624703      0.271898      0.483355     Biso  1.000000 H
   H112       1.0     0.711782      0.358941      0.483832     Biso  1.000000 H
   C1         1.0     0.839223      0.644200      0.495826     Biso  1.000000 C
   C2         1.0     0.644196      0.839231      0.495817     Biso  1.000000 C
   C3         1.0     0.339213      0.144185      0.495859     Biso  1.000000 C
   C4         1.0     0.144184      0.339225      0.495869     Biso  1.000000 C
   C5         1.0     0.788688      0.694680      0.496795     Biso  1.000000 C
   C6         1.0     0.694668      0.788688      0.496792     Biso  1.000000 C
   C7         1.0     0.288676      0.194666      0.496823     Biso  1.000000 C
   C8         1.0     0.194655      0.288679      0.496828     Biso  1.000000 C
   C9         1.0     0.723439      0.676047      0.496639     Biso  1.000000 C
   C10        1.0     0.676047      0.723448      0.496638     Biso  1.000000 C
   C11        1.0     0.807294      0.759894      0.496853     Biso  1.000000 C
   C12        1.0     0.759889      0.807306      0.496852     Biso  1.000000 C
   C13        1.0     0.223432      0.176037      0.496632     Biso  1.000000 C
   C14        1.0     0.176038      0.223441      0.496635     Biso  1.000000 C
   C15        1.0     0.307282      0.259885      0.496911     Biso  1.000000 C
   C16        1.0     0.259882      0.307295      0.496912     Biso  1.000000 C
   C17        1.0     0.839218      0.495870      0.644199     Biso  1.000000 C
   C18        1.0     0.987018      0.644345      0.644343     Biso  1.000000 C
   C19        1.0     0.495873      0.839225      0.644193     Biso  1.000000 C
   C20        1.0     0.644341      0.987016      0.644338     Biso  1.000000 C
   C21        1.0     0.339237      0.995827      0.644217     Biso  1.000000 C
   C22        1.0     0.487009      0.144333      0.644342     Biso  1.000000 C
   C23        1.0     0.995826      0.339246      0.644224     Biso  1.000000 C
   C24        1.0     0.144336      0.486989      0.644343     Biso  1.000000 C
   C25        1.0     0.983045      0.760042      0.676208     Biso  1.000000 C
   C26        1.0     0.760037      0.983068      0.676210     Biso  1.000000 C
   C27        1.0     0.223450      0.996667      0.676062     Biso  1.000000 C
   C28        1.0     0.996672      0.223459      0.676070     Biso  1.000000 C
   C29        1.0     0.483099      0.260031      0.676205     Biso  1.000000 C
   C30        1.0     0.260031      0.483053      0.676212     Biso  1.000000 C
   C31        1.0     0.723435      0.496610      0.676056     Biso  1.000000 C
   C32        1.0     0.496618      0.723443      0.676055     Biso  1.000000 C
   C33        1.0     0.483598      0.194807      0.694799     Biso  1.000000 C
   C34        1.0     0.194804      0.483535      0.694805     Biso  1.000000 C
   C35        1.0     0.788678      0.496785      0.694676     Biso  1.000000 C
   C36        1.0     0.983561      0.694818      0.694799     Biso  1.000000 C
   C37        1.0     0.496798      0.788681      0.694668     Biso  1.000000 C
   C38        1.0     0.694806      0.983565      0.694802     Biso  1.000000 C
   C39        1.0     0.288693      0.996821      0.694687     Biso  1.000000 C
   C40        1.0     0.996825      0.288697      0.694689     Biso  1.000000 C
   C41        1.0     0.676038      0.496612      0.723449     Biso  1.000000 C
   C42        1.0     0.496610      0.676041      0.723447     Biso  1.000000 C
   C43        1.0     0.983233      0.807455      0.723607     Biso  1.000000 C
   C44        1.0     0.807439      0.983268      0.723619     Biso  1.000000 C
   C45        1.0     0.176050      0.996684      0.723453     Biso  1.000000 C
   C46        1.0     0.996690      0.176050      0.723454     Biso  1.000000 C
   C47        1.0     0.483298      0.307447      0.723601     Biso  1.000000 C
   C48        1.0     0.307438      0.483270      0.723619     Biso  1.000000 C
   C49        1.0     0.807294      0.496832      0.759895     Biso  1.000000 C
   C50        1.0     0.983068      0.676207      0.760036     Biso  1.000000 C
   C51        1.0     0.496847      0.807306      0.759892     Biso  1.000000 C
   C52        1.0     0.676197      0.983066      0.760033     Biso  1.000000 C
   C53        1.0     0.307302      0.996898      0.759907     Biso  1.000000 C
   C54        1.0     0.483133      0.176200      0.760039     Biso  1.000000 C
   C55        1.0     0.996906      0.307311      0.759915     Biso  1.000000 C
   C56        1.0     0.176196      0.483027      0.760039     Biso  1.000000 C
   C57        1.0     0.694669      0.496788      0.788697     Biso  1.000000 C
   C58        1.0     0.496782      0.694680      0.788697     Biso  1.000000 C
   C59        1.0     0.983853      0.788844      0.788843     Biso  1.000000 C
   C60        1.0     0.788831      0.983882      0.788850     Biso  1.000000 C
   C61        1.0     0.194673      0.996857      0.788702     Biso  1.000000 C
   C62        1.0     0.996863      0.194680      0.788706     Biso  1.000000 C
   C63        1.0     0.483916      0.288842      0.788839     Biso  1.000000 C
   C64        1.0     0.288831      0.483880      0.788848     Biso  1.000000 C
   C65        1.0     0.759883      0.496834      0.807303     Biso  1.000000 C
   C66        1.0     0.983254      0.723621      0.807435     Biso  1.000000 C
   C67        1.0     0.496839      0.759893      0.807295     Biso  1.000000 C
   C68        1.0     0.723602      0.983266      0.807441     Biso  1.000000 C
   C69        1.0     0.259887      0.996918      0.807309     Biso  1.000000 C
   C70        1.0     0.483331      0.223617      0.807433     Biso  1.000000 C
   C71        1.0     0.996927      0.259889      0.807311     Biso  1.000000 C
   C72        1.0     0.223601      0.483247      0.807443     Biso  1.000000 C
   C73        1.0     0.644186      0.495866      0.839229     Biso  1.000000 C
   C74        1.0     0.495844      0.644196      0.839229     Biso  1.000000 C
   C75        1.0     0.987135      0.839323      0.839303     Biso  1.000000 C
   C76        1.0     0.839302      0.987164      0.839318     Biso  1.000000 C
   C77        1.0     0.144190      0.995885      0.839234     Biso  1.000000 C
   C78        1.0     0.995883      0.144191      0.839234     Biso  1.000000 C
   C79        1.0     0.487159      0.339325      0.839295     Biso  1.000000 C
   C80        1.0     0.339302      0.487170      0.839315     Biso  1.000000 C
   C81        1.0     0.760034      0.676197      0.983067     Biso  1.000000 C
   C82        1.0     0.807436      0.723604      0.983278     Biso  1.000000 C
   C83        1.0     0.676207      0.760033      0.983067     Biso  1.000000 C
   C84        1.0     0.723613      0.807441      0.983277     Biso  1.000000 C
   C85        1.0     0.260027      0.176206      0.983073     Biso  1.000000 C
   C86        1.0     0.307428      0.223616      0.983247     Biso  1.000000 C
   C87        1.0     0.176197      0.260040      0.983061     Biso  1.000000 C
   C88        1.0     0.223602      0.307451      0.983234     Biso  1.000000 C
   C89        1.0     0.694798      0.694806      0.983565     Biso  1.000000 C
   C90        1.0     0.788845      0.788832      0.983897     Biso  1.000000 C
   C91        1.0     0.194792      0.194814      0.983579     Biso  1.000000 C
   C92        1.0     0.288834      0.288843      0.983849     Biso  1.000000 C
   C93        1.0     0.644336      0.644338      0.987032     Biso  1.000000 C
   C94        1.0     0.839312      0.839305      0.987181     Biso  1.000000 C
   C95        1.0     0.144332      0.144345      0.987049     Biso  1.000000 C
   C96        1.0     0.339300      0.339317      0.987145     Biso  1.000000 C
   C97        1.0     0.339227      0.644200      0.995854     Biso  1.000000 C
   C98        1.0     0.144194      0.839228      0.995827     Biso  1.000000 C
   C99        1.0     0.839227      0.144198      0.995862     Biso  1.000000 C
   C100       1.0     0.644193      0.339227      0.995807     Biso  1.000000 C
   C101       1.0     0.288688      0.694677      0.996846     Biso  1.000000 C
   C102       1.0     0.194665      0.788685      0.996829     Biso  1.000000 C
   C103       1.0     0.788689      0.194675      0.996859     Biso  1.000000 C
   C104       1.0     0.694664      0.288684      0.996823     Biso  1.000000 C
   C105       1.0     0.223444      0.676045      0.996688     Biso  1.000000 C
   C106       1.0     0.176049      0.723445      0.996677     Biso  1.000000 C
   C107       1.0     0.307292      0.759895      0.996913     Biso  1.000000 C
   C108       1.0     0.259889      0.807304      0.996905     Biso  1.000000 C
   C109       1.0     0.723443      0.176044      0.996699     Biso  1.000000 C
   C110       1.0     0.676048      0.223444      0.996681     Biso  1.000000 C
   C111       1.0     0.807291      0.259894      0.996923     Biso  1.000000 C
   C112       1.0     0.759889      0.307304      0.996905     Biso  1.000000 C
   C113       1.0     0.339219      0.495838      0.144199     Biso  1.000000 C
   C114       1.0     0.486998      0.644330      0.144348     Biso  1.000000 C
   C115       1.0     0.995903      0.839224      0.144188     Biso  1.000000 C
   C116       1.0     0.144331      0.987027      0.144352     Biso  1.000000 C
   C117       1.0     0.839228      0.995825      0.144208     Biso  1.000000 C
   C118       1.0     0.986997      0.144331      0.144357     Biso  1.000000 C
   C119       1.0     0.495877      0.339220      0.144183     Biso  1.000000 C
   C120       1.0     0.644334      0.487005      0.144343     Biso  1.000000 C
   C121       1.0     0.223433      0.496631      0.176052     Biso  1.000000 C
   C122       1.0     0.996681      0.723440      0.176044     Biso  1.000000 C
   C123       1.0     0.260025      0.983111      0.176218     Biso  1.000000 C
   C124       1.0     0.723445      0.996681      0.176047     Biso  1.000000 C
   C125       1.0     0.496645      0.223433      0.176044     Biso  1.000000 C
   C126       1.0     0.983151      0.260030      0.176229     Biso  1.000000 C
   C127       1.0     0.483105      0.760030      0.176215     Biso  1.000000 C
   C128       1.0     0.760033      0.483117      0.176211     Biso  1.000000 C
   C129       1.0     0.288675      0.496816      0.194672     Biso  1.000000 C
   C130       1.0     0.483582      0.694804      0.194807     Biso  1.000000 C
   C131       1.0     0.996860      0.788677      0.194657     Biso  1.000000 C
   C132       1.0     0.194797      0.983590      0.194815     Biso  1.000000 C
   C133       1.0     0.788683      0.996834      0.194675     Biso  1.000000 C
   C134       1.0     0.983623      0.194806      0.194819     Biso  1.000000 C
   C135       1.0     0.496837      0.288671      0.194652     Biso  1.000000 C
   C136       1.0     0.694802      0.483588      0.194807     Biso  1.000000 C
   C137       1.0     0.176035      0.496639      0.223446     Biso  1.000000 C
   C138       1.0     0.996667      0.676035      0.223437     Biso  1.000000 C
   C139       1.0     0.483303      0.807442      0.223613     Biso  1.000000 C
   C140       1.0     0.307434      0.983302      0.223622     Biso  1.000000 C
   C141       1.0     0.676038      0.996692      0.223434     Biso  1.000000 C
   C142       1.0     0.496641      0.176031      0.223441     Biso  1.000000 C
   C143       1.0     0.983353      0.307444      0.223629     Biso  1.000000 C
   C144       1.0     0.807439      0.483310      0.223615     Biso  1.000000 C
   C145       1.0     0.307289      0.496906      0.259891     Biso  1.000000 C
   C146       1.0     0.483088      0.676194      0.260043     Biso  1.000000 C
   C147       1.0     0.996916      0.807299      0.259886     Biso  1.000000 C
   C148       1.0     0.176191      0.983082      0.260049     Biso  1.000000 C
   C149       1.0     0.807290      0.996917      0.259900     Biso  1.000000 C
   C150       1.0     0.983162      0.176194      0.260058     Biso  1.000000 C
   C151       1.0     0.496916      0.307295      0.259880     Biso  1.000000 C
   C152       1.0     0.676197      0.483087      0.260038     Biso  1.000000 C
   C153       1.0     0.194663      0.496830      0.288694     Biso  1.000000 C
   C154       1.0     0.996830      0.694669      0.288684     Biso  1.000000 C
   C155       1.0     0.483898      0.788832      0.288851     Biso  1.000000 C
   C156       1.0     0.288829      0.983896      0.288854     Biso  1.000000 C
   C157       1.0     0.694657      0.996861      0.288683     Biso  1.000000 C
   C158       1.0     0.496828      0.194669      0.288687     Biso  1.000000 C
   C159       1.0     0.983957      0.288834      0.288867     Biso  1.000000 C
   C160       1.0     0.788833      0.483898      0.288850     Biso  1.000000 C
   C161       1.0     0.259878      0.496912      0.307298     Biso  1.000000 C
   C162       1.0     0.483286      0.723609      0.307442     Biso  1.000000 C
   C163       1.0     0.996905      0.759885      0.307285     Biso  1.000000 C
   C164       1.0     0.223601      0.983274      0.307452     Biso  1.000000 C
   C165       1.0     0.759874      0.996932      0.307296     Biso  1.000000 C
   C166       1.0     0.983363      0.223608      0.307457     Biso  1.000000 C
   C167       1.0     0.496913      0.259885      0.307282     Biso  1.000000 C
   C168       1.0     0.723607      0.483280      0.307445     Biso  1.000000 C
   C169       1.0     0.144187      0.495864      0.339233     Biso  1.000000 C
   C170       1.0     0.995843      0.644186      0.339217     Biso  1.000000 C
   C171       1.0     0.487146      0.839311      0.339311     Biso  1.000000 C
   C172       1.0     0.339302      0.987164      0.339319     Biso  1.000000 C
   C173       1.0     0.644175      0.995864      0.339213     Biso  1.000000 C
   C174       1.0     0.495855      0.144191      0.339226     Biso  1.000000 C
   C175       1.0     0.987186      0.339315      0.339328     Biso  1.000000 C
   C176       1.0     0.839306      0.487150      0.339317     Biso  1.000000 C
   C177       1.0     0.260030      0.676200      0.483031     Biso  1.000000 C
   C178       1.0     0.307435      0.723613      0.483244     Biso  1.000000 C
   C179       1.0     0.176204      0.760036      0.483017     Biso  1.000000 C
   C180       1.0     0.223605      0.807443      0.483232     Biso  1.000000 C
   C181       1.0     0.760036      0.176200      0.483057     Biso  1.000000 C
   C182       1.0     0.807437      0.223609      0.483274     Biso  1.000000 C
   C183       1.0     0.676206      0.260030      0.483049     Biso  1.000000 C
   C184       1.0     0.723610      0.307442      0.483265     Biso  1.000000 C
   C185       1.0     0.194800      0.694806      0.483527     Biso  1.000000 C
   C186       1.0     0.288841      0.788836      0.483864     Biso  1.000000 C
   C187       1.0     0.694800      0.194806      0.483548     Biso  1.000000 C
   C188       1.0     0.788841      0.288836      0.483893     Biso  1.000000 C
   C189       1.0     0.144337      0.644337      0.486998     Biso  1.000000 C
   C190       1.0     0.339305      0.839310      0.487171     Biso  1.000000 C
   C191       1.0     0.644338      0.144336      0.487002     Biso  1.000000 C
   C192       1.0     0.839305      0.339314      0.487186     Biso  1.000000 C
   O1         1.0     0.819754      0.585497      0.494708     Biso  1.000000 O
   O2         1.0     0.897930      0.663727      0.495123     Biso  1.000000 O
   O3         1.0     0.585485      0.819756      0.494699     Biso  1.000000 O
   O4         1.0     0.663715      0.897931      0.495110     Biso  1.000000 O
   O5         1.0     0.319749      0.085482      0.494743     Biso  1.000000 O
   O6         1.0     0.397921      0.163711      0.495160     Biso  1.000000 O
   O7         1.0     0.085474      0.319753      0.494759     Biso  1.000000 O
   O8         1.0     0.163703      0.397924      0.495166     Biso  1.000000 O
   O9         1.0     0.941194      0.542472      0.542460     Biso  1.000000 O
   O10        1.0     0.542462      0.941198      0.542452     Biso  1.000000 O
   O11        1.0     0.441195      0.042453      0.542464     Biso  1.000000 O
   O12        1.0     0.042451      0.441202      0.542474     Biso  1.000000 O
   O13        1.0     0.060067      0.560069      0.560070     Biso  1.000000 O
   O14        1.0     0.423539      0.923519      0.560215     Biso  1.000000 O
   O15        1.0     0.560062      0.060068      0.560065     Biso  1.000000 O
   O16        1.0     0.923517      0.423547      0.560221     Biso  1.000000 O
   O17        1.0     0.819746      0.494770      0.585488     Biso  1.000000 O
   O18        1.0     0.989065      0.663874      0.585665     Biso  1.000000 O
   O19        1.0     0.494770      0.819748      0.585481     Biso  1.000000 O
   O20        1.0     0.663865      0.989061      0.585664     Biso  1.000000 O
   O21        1.0     0.319770      0.994729      0.585504     Biso  1.000000 O
   O22        1.0     0.489075      0.163864      0.585666     Biso  1.000000 O
   O23        1.0     0.994719      0.319772      0.585509     Biso  1.000000 O
   O24        1.0     0.163865      0.489076      0.585671     Biso  1.000000 O
   O25        1.0     0.897919      0.495200      0.663712     Biso  1.000000 O
   O26        1.0     0.989102      0.585683      0.663865     Biso  1.000000 O
   O27        1.0     0.495196      0.897922      0.663705     Biso  1.000000 O
   O28        1.0     0.585673      0.989102      0.663861     Biso  1.000000 O
   O29        1.0     0.397939      0.995089      0.663736     Biso  1.000000 O
   O30        1.0     0.489037      0.085666      0.663860     Biso  1.000000 O
   O31        1.0     0.995089      0.397943      0.663739     Biso  1.000000 O
   O32        1.0     0.085666      0.489039      0.663863     Biso  1.000000 O
   O33        1.0     0.989100      0.897989      0.819785     Biso  1.000000 O
   O34        1.0     0.897973      0.989111      0.819799     Biso  1.000000 O
   O35        1.0     0.085486      0.994759      0.819768     Biso  1.000000 O
   O36        1.0     0.994735      0.085493      0.819766     Biso  1.000000 O
   O37        1.0     0.489101      0.397991      0.819778     Biso  1.000000 O
   O38        1.0     0.397972      0.489116      0.819793     Biso  1.000000 O
   O39        1.0     0.585481      0.494764      0.819766     Biso  1.000000 O
   O40        1.0     0.494721      0.585496      0.819764     Biso  1.000000 O
   O41        1.0     0.663707      0.495192      0.897937     Biso  1.000000 O
   O42        1.0     0.495177      0.663720      0.897940     Biso  1.000000 O
   O43        1.0     0.989074      0.819791      0.897983     Biso  1.000000 O
   O44        1.0     0.819775      0.989114      0.897995     Biso  1.000000 O
   O45        1.0     0.163711      0.995184      0.897942     Biso  1.000000 O
   O46        1.0     0.995196      0.163714      0.897945     Biso  1.000000 O
   O47        1.0     0.489079      0.319794      0.897977     Biso  1.000000 O
   O48        1.0     0.319776      0.489126      0.897990     Biso  1.000000 O
   O49        1.0     0.423528      0.560213      0.923533     Biso  1.000000 O
   O50        1.0     0.060202      0.923539      0.923523     Biso  1.000000 O
   O51        1.0     0.923530      0.060211      0.923535     Biso  1.000000 O
   O52        1.0     0.560196      0.423542      0.923515     Biso  1.000000 O
   O53        1.0     0.940859      0.940865      0.940868     Biso  1.000000 O
   O54        1.0     0.440855      0.440868      0.940863     Biso  1.000000 O
   O55        1.0     0.542450      0.542461      0.941207     Biso  1.000000 O
   O56        1.0     0.042453      0.042460      0.941212     Biso  1.000000 O
   O57        1.0     0.663858      0.585672      0.989108     Biso  1.000000 O
   O58        1.0     0.585663      0.663869      0.989103     Biso  1.000000 O
   O59        1.0     0.897988      0.819774      0.989141     Biso  1.000000 O
   O60        1.0     0.819791      0.897974      0.989116     Biso  1.000000 O
   O61        1.0     0.163856      0.085678      0.989110     Biso  1.000000 O
   O62        1.0     0.085659      0.163873      0.989128     Biso  1.000000 O
   O63        1.0     0.397977      0.319783      0.989114     Biso  1.000000 O
   O64        1.0     0.319782      0.397984      0.989095     Biso  1.000000 O
   O65        1.0     0.319764      0.585495      0.994754     Biso  1.000000 O
   O66        1.0     0.397931      0.663732      0.995112     Biso  1.000000 O
   O67        1.0     0.085486      0.819750      0.994672     Biso  1.000000 O
   O68        1.0     0.163711      0.897929      0.995135     Biso  1.000000 O
   O69        1.0     0.819764      0.085493      0.994760     Biso  1.000000 O
   O70        1.0     0.897932      0.163730      0.995116     Biso  1.000000 O
   O71        1.0     0.585483      0.319752      0.994667     Biso  1.000000 O
   O72        1.0     0.663713      0.397926      0.995090     Biso  1.000000 O
   O73        1.0     0.441192      0.542457      0.042463     Biso  1.000000 O
   O74        1.0     0.042460      0.941200      0.042455     Biso  1.000000 O
   O75        1.0     0.941187      0.042455      0.042470     Biso  1.000000 O
   O76        1.0     0.542455      0.441194      0.042451     Biso  1.000000 O
   O77        1.0     0.560059      0.560062      0.060078     Biso  1.000000 O
   O78        1.0     0.923541      0.923517      0.060212     Biso  1.000000 O
   O79        1.0     0.060052      0.060069      0.060083     Biso  1.000000 O
   O80        1.0     0.423528      0.423521      0.060209     Biso  1.000000 O
   O81        1.0     0.319748      0.494720      0.085488     Biso  1.000000 O
   O82        1.0     0.489039      0.663863      0.085671     Biso  1.000000 O
   O83        1.0     0.994803      0.819754      0.085475     Biso  1.000000 O
   O84        1.0     0.163857      0.989070      0.085678     Biso  1.000000 O
   O85        1.0     0.819763      0.994711      0.085495     Biso  1.000000 O
   O86        1.0     0.989033      0.163865      0.085680     Biso  1.000000 O
   O87        1.0     0.494776      0.319746      0.085469     Biso  1.000000 O
   O88        1.0     0.663858      0.489034      0.085667     Biso  1.000000 O
   O89        1.0     0.397919      0.495128      0.163717     Biso  1.000000 O
   O90        1.0     0.489055      0.585664      0.163865     Biso  1.000000 O
   O91        1.0     0.995186      0.897919      0.163706     Biso  1.000000 O
   O92        1.0     0.085661      0.989099      0.163873     Biso  1.000000 O
   O93        1.0     0.897928      0.995086      0.163731     Biso  1.000000 O
   O94        1.0     0.989021      0.085664      0.163872     Biso  1.000000 O
   O95        1.0     0.495162      0.397914      0.163700     Biso  1.000000 O
   O96        1.0     0.585666      0.489073      0.163864     Biso  1.000000 O
   O97        1.0     0.085479      0.494759      0.319773     Biso  1.000000 O
   O98        1.0     0.994703      0.585485      0.319755     Biso  1.000000 O
   O99        1.0     0.397972      0.989119      0.319794     Biso  1.000000 O
   O100       1.0     0.585472      0.994709      0.319745     Biso  1.000000 O
   O101       1.0     0.494750      0.085487      0.319769     Biso  1.000000 O
   O102       1.0     0.989117      0.397978      0.319807     Biso  1.000000 O
   O103       1.0     0.489077      0.897978      0.319795     Biso  1.000000 O
   O104       1.0     0.897979      0.489085      0.319798     Biso  1.000000 O
   O105       1.0     0.163713      0.495148      0.397938     Biso  1.000000 O
   O106       1.0     0.995151      0.663713      0.397927     Biso  1.000000 O
   O107       1.0     0.489083      0.819779      0.397992     Biso  1.000000 O
   O108       1.0     0.319779      0.989098      0.397996     Biso  1.000000 O
   O109       1.0     0.663695      0.995170      0.397920     Biso  1.000000 O
   O110       1.0     0.495137      0.163724      0.397934     Biso  1.000000 O
   O111       1.0     0.989102      0.319784      0.398009     Biso  1.000000 O
   O112       1.0     0.819779      0.489087      0.397993     Biso  1.000000 O
   O113       1.0     0.923525      0.560204      0.423530     Biso  1.000000 O
   O114       1.0     0.560194      0.923531      0.423522     Biso  1.000000 O
   O115       1.0     0.423522      0.060209      0.423535     Biso  1.000000 O
   O116       1.0     0.060205      0.423530      0.423543     Biso  1.000000 O
   O117       1.0     0.042454      0.542459      0.441205     Biso  1.000000 O
   O118       1.0     0.440856      0.940863      0.440872     Biso  1.000000 O
   O119       1.0     0.542449      0.042458      0.441197     Biso  1.000000 O
   O120       1.0     0.940861      0.440866      0.440880     Biso  1.000000 O
   O121       1.0     0.163859      0.585671      0.489072     Biso  1.000000 O
   O122       1.0     0.085665      0.663869      0.489073     Biso  1.000000 O
   O123       1.0     0.397981      0.819778      0.489130     Biso  1.000000 O
   O124       1.0     0.319784      0.897978      0.489128     Biso  1.000000 O
   O125       1.0     0.663859      0.085670      0.489078     Biso  1.000000 O
   O126       1.0     0.585665      0.163866      0.489064     Biso  1.000000 O
   O127       1.0     0.897982      0.319784      0.489139     Biso  1.000000 O
   O128       1.0     0.819782      0.397981      0.489137     Biso  1.000000 O
   Zr1        1.0     0.112820      0.491862      0.491871     Biso  1.000000 Zr
   Zr2        1.0     0.870898      0.491827      0.491829     Biso  1.000000 Zr
   Zr3        1.0     0.991861      0.612834      0.491861     Biso  1.000000 Zr
   Zr4        1.0     0.491820      0.870899      0.491821     Biso  1.000000 Zr
   Zr5        1.0     0.612821      0.991864      0.491855     Biso  1.000000 Zr
   Zr6        1.0     0.370902      0.991816      0.491833     Biso  1.000000 Zr
   Zr7        1.0     0.491856      0.112827      0.491864     Biso  1.000000 Zr
   Zr8        1.0     0.991812      0.370906      0.491841     Biso  1.000000 Zr
   Zr9        1.0     0.991855      0.491877      0.612830     Biso  1.000000 Zr
   Zr10       1.0     0.491868      0.991857      0.612823     Biso  1.000000 Zr
   Zr11       1.0     0.491813      0.491830      0.870907     Biso  1.000000 Zr
   Zr12       1.0     0.991817      0.991827      0.870913     Biso  1.000000 Zr
   Zr13       1.0     0.370900      0.491822      0.991825     Biso  1.000000 Zr
   Zr14       1.0     0.612820      0.491863      0.991862     Biso  1.000000 Zr
   Zr15       1.0     0.491858      0.612830      0.991869     Biso  1.000000 Zr
   Zr16       1.0     0.991823      0.870902      0.991816     Biso  1.000000 Zr
   Zr17       1.0     0.870903      0.991816      0.991828     Biso  1.000000 Zr
   Zr18       1.0     0.112824      0.991868      0.991870     Biso  1.000000 Zr
   Zr19       1.0     0.991855      0.112828      0.991877     Biso  1.000000 Zr
   Zr20       1.0     0.491814      0.370903      0.991810     Biso  1.000000 Zr
   Zr21       1.0     0.491858      0.491854      0.112823     Biso  1.000000 Zr
   Zr22       1.0     0.991859      0.991856      0.112828     Biso  1.000000 Zr
   Zr23       1.0     0.991813      0.491819      0.370917     Biso  1.000000 Zr
   Zr24       1.0     0.491809      0.991817      0.370910     Biso  1.000000 Zr
