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

# CRYSTAL DATA

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

data_VESTA_phase_1


_chemical_name_common                  'ZIF-8-7                               '
_cell_length_a                         17.18492
_cell_length_b                         17.21690
_cell_length_c                         17.20258
_cell_angle_alpha                      90.02035
_cell_angle_beta                       89.93950
_cell_angle_gamma                      90.00082
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_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
   C1         1.0     0.121291      0.363528      0.202089     Biso  1.000000 C
   C2         1.0     0.129594      0.474053      0.134355     Biso  1.000000 C
   C3         1.0     0.115469      0.554596      0.105151     Biso  1.000000 C
   C4         1.0     0.176663      0.363518      0.146774     Biso  1.000000 C
   C5         1.0     0.825146      0.636023      0.146447     Biso  1.000000 C
   C6         1.0     0.871145      0.525331      0.133952     Biso  1.000000 C
   C7         1.0     0.884562      0.444666      0.104665     Biso  1.000000 C
   C8         1.0     0.880321      0.636033      0.201841     Biso  1.000000 C
   C9         1.0     0.857360      0.237417      0.751926     Biso  1.000000 C
   C10        1.0     0.871094      0.474202      0.865480     Biso  1.000000 C
   C11        1.0     0.824237      0.363584      0.853197     Biso  1.000000 C
   C12        1.0     0.785848      0.299029      0.857162     Biso  1.000000 C
   C13        1.0     0.802220      0.237348      0.807472     Biso  1.000000 C
   C14        1.0     0.895260      0.299167      0.746945     Biso  1.000000 C
   C15        1.0     0.879377      0.363654      0.797652     Biso  1.000000 C
   C16        1.0     0.120341      0.636220      0.798379     Biso  1.000000 C
   C17        1.0     0.129535      0.525428      0.865827     Biso  1.000000 C
   C18        1.0     0.116030      0.444719      0.894895     Biso  1.000000 C
   C19        1.0     0.175795      0.636152      0.853495     Biso  1.000000 C
   C20        1.0     0.248003      0.143325      0.237399     Biso  1.000000 C
   C21        1.0     0.134227      0.129506      0.474375     Biso  1.000000 C
   C22        1.0     0.146763      0.176475      0.363747     Biso  1.000000 C
   C23        1.0     0.142986      0.214950      0.299209     Biso  1.000000 C
   C24        1.0     0.192661      0.198565      0.237438     Biso  1.000000 C
   C25        1.0     0.252799      0.105341      0.299132     Biso  1.000000 C
   C26        1.0     0.202105      0.121236      0.363708     Biso  1.000000 C
   C27        1.0     0.247664      0.855390      0.762588     Biso  1.000000 C
   C28        1.0     0.134212      0.870242      0.525908     Biso  1.000000 C
   C29        1.0     0.146647      0.822739      0.636440     Biso  1.000000 C
   C30        1.0     0.142826      0.783939      0.700935     Biso  1.000000 C
   C31        1.0     0.192391      0.800080      0.762607     Biso  1.000000 C
   C32        1.0     0.252502      0.893687      0.700896     Biso  1.000000 C
   C33        1.0     0.201920      0.878048      0.636421     Biso  1.000000 C
   C34        1.0     0.854614      0.822591      0.363333     Biso  1.000000 C
   C35        1.0     0.866170      0.870260      0.474210     Biso  1.000000 C
   C36        1.0     0.894680      0.884795      0.554993     Biso  1.000000 C
   C37        1.0     0.799477      0.878034      0.363372     Biso  1.000000 C
   C38        1.0     0.754429      0.143453      0.762910     Biso  1.000000 C
   C39        1.0     0.866152      0.129499      0.525242     Biso  1.000000 C
   C40        1.0     0.854474      0.176633      0.636207     Biso  1.000000 C
   C41        1.0     0.858724      0.215232      0.700947     Biso  1.000000 C
   C42        1.0     0.809634      0.198831      0.762891     Biso  1.000000 C
   C43        1.0     0.749184      0.105348      0.700985     Biso  1.000000 C
   C44        1.0     0.799270      0.121256      0.636227     Biso  1.000000 C
   C45        1.0     0.364075      0.146715      0.176391     Biso  1.000000 C
   C46        1.0     0.474843      0.134254      0.129301     Biso  1.000000 C
   C47        1.0     0.555549      0.105050      0.115127     Biso  1.000000 C
   C48        1.0     0.364105      0.201945      0.121115     Biso  1.000000 C
   C49        1.0     0.762824      0.248794      0.856573     Biso  1.000000 C
   C50        1.0     0.525946      0.134184      0.870413     Biso  1.000000 C
   C51        1.0     0.636406      0.147188      0.823382     Biso  1.000000 C
   C52        1.0     0.700813      0.143707      0.784857     Biso  1.000000 C
   C53        1.0     0.762618      0.193560      0.801263     Biso  1.000000 C
   C54        1.0     0.701220      0.253305      0.894607     Biso  1.000000 C
   C55        1.0     0.636611      0.202422      0.878692     Biso  1.000000 C
   C56        1.0     0.237278      0.751929      0.857323     Biso  1.000000 C
   C57        1.0     0.474486      0.865291      0.870476     Biso  1.000000 C
   C58        1.0     0.363569      0.852962      0.823887     Biso  1.000000 C
   C59        1.0     0.298813      0.856863      0.785654     Biso  1.000000 C
   C60        1.0     0.237071      0.807289      0.802179     Biso  1.000000 C
   C61        1.0     0.299224      0.747013      0.895074     Biso  1.000000 C
   C62        1.0     0.363776      0.797601      0.879031     Biso  1.000000 C
   C63        1.0     0.636888      0.852489      0.176319     Biso  1.000000 C
   C64        1.0     0.526331      0.865350      0.129415     Biso  1.000000 C
   C65        1.0     0.445756      0.894877      0.115358     Biso  1.000000 C
   C66        1.0     0.636920      0.797171      0.121091     Biso  1.000000 C
   C67        1.0     0.864642      0.676425      0.646992     Biso  1.000000 C
   C68        1.0     0.975094      0.629116      0.633804     Biso  1.000000 C
   C69        1.0     1.055591      0.614765      0.604053     Biso  1.000000 C
   C70        1.0     0.864612      0.621195      0.702268     Biso  1.000000 C
   C71        1.0     0.136116      0.323399      0.646897     Biso  1.000000 C
   C72        1.0     0.025380      0.370385      0.634500     Biso  1.000000 C
   C73        1.0    -0.055303      0.384494      0.605319     Biso  1.000000 C
   C74        1.0     0.136087      0.378648      0.702193     Biso  1.000000 C
   C75        1.0     0.864795      0.323150      0.352490     Biso  1.000000 C
   C76        1.0     0.975234      0.370461      0.365562     Biso  1.000000 C
   C77        1.0     1.055700      0.384813      0.395227     Biso  1.000000 C
   C78        1.0     0.864824      0.378380      0.297214     Biso  1.000000 C
   C79        1.0     0.136273      0.676166      0.353354     Biso  1.000000 C
   C80        1.0     0.025523      0.629178      0.365868     Biso  1.000000 C
   C81        1.0    -0.055191      0.615068      0.395134     Biso  1.000000 C
   C82        1.0     0.136302      0.620916      0.298058     Biso  1.000000 C
   C83        1.0     0.640759      0.748796      0.737378     Biso  1.000000 C
   C84        1.0     0.630398      0.633829      0.974317     Biso  1.000000 C
   C85        1.0     0.675829      0.646996      0.863650     Biso  1.000000 C
   C86        1.0     0.713426      0.643609      0.799072     Biso  1.000000 C
   C87        1.0     0.696102      0.693556      0.737339     Biso  1.000000 C
   C88        1.0     0.603613      0.753218      0.799149     Biso  1.000000 C
   C89        1.0     0.620486      0.702236      0.863689     Biso  1.000000 C
   C90        1.0     0.379160      0.701640      0.136239     Biso  1.000000 C
   C91        1.0     0.370952      0.633927      0.025602     Biso  1.000000 C
   C92        1.0     0.385136      0.604711     -0.055026     Biso  1.000000 C
   C93        1.0     0.323817      0.646400      0.136259     Biso  1.000000 C
   C94        1.0     0.377627      0.298254      0.863848     Biso  1.000000 C
   C95        1.0     0.371112      0.365452      0.974347     Biso  1.000000 C
   C96        1.0     0.386528      0.394293      1.054854     Biso  1.000000 C
   C97        1.0     0.322285      0.353494      0.863887     Biso  1.000000 C
   C98        1.0     0.644034      0.252077      0.262309     Biso  1.000000 C
   C99        1.0     0.630273      0.365474      0.025418     Biso  1.000000 C
   C100       1.0     0.677291      0.353041      0.136020     Biso  1.000000 C
   C101       1.0     0.715815      0.356856      0.200548     Biso  1.000000 C
   C102       1.0     0.699377      0.307318      0.262289     Biso  1.000000 C
   C103       1.0     0.606001      0.247246      0.200586     Biso  1.000000 C
   C104       1.0     0.621948      0.297801      0.136040     Biso  1.000000 C
   C105       1.0     0.647037      0.863223      0.676379     Biso  1.000000 C
   C106       1.0     0.634883      0.973886      0.629531     Biso  1.000000 C
   C107       1.0     0.605852      1.054530      0.615548     Biso  1.000000 C
   C108       1.0     0.702409      0.863214      0.621064     Biso  1.000000 C
   C109       1.0     0.647407      0.136264      0.323234     Biso  1.000000 C
   C110       1.0     0.634904      0.025735      0.370250     Biso  1.000000 C
   C111       1.0     0.605640     -0.054812      0.384377     Biso  1.000000 C
   C112       1.0     0.702720      0.136274      0.378491     Biso  1.000000 C
   C113       1.0     0.353719      0.863149      0.323615     Biso  1.000000 C
   C114       1.0     0.365832      0.973844      0.370504     Biso  1.000000 C
   C115       1.0     0.394833      1.054504      0.384519     Biso  1.000000 C
   C116       1.0     0.298348      0.863159      0.378930     Biso  1.000000 C
   C117       1.0     0.252157      0.262501      0.643423     Biso  1.000000 C
   C118       1.0     0.365813      0.025779      0.629448     Biso  1.000000 C
   C119       1.0     0.353312      0.136324      0.676503     Biso  1.000000 C
   C120       1.0     0.357103      0.200825      0.715031     Biso  1.000000 C
   C121       1.0     0.307471      0.262512      0.698679     Biso  1.000000 C
   C122       1.0     0.247348      0.200804      0.605388     Biso  1.000000 C
   C123       1.0     0.297999      0.136314      0.621246     Biso  1.000000 C
   H1         1.0     0.214809      0.319564      0.132303     Biso  1.000000 H
   H2         1.0     0.098561      0.319583      0.248432     Biso  1.000000 H
   H3         1.0     0.128319      0.557527      0.051294     Biso  1.000000 H
   H4         1.0     0.062029      0.567903      0.111941     Biso  1.000000 H
   H5         1.0     0.146912      0.590510      0.133308     Biso  1.000000 H
   H6         1.0     0.903330      0.680055      0.248273     Biso  1.000000 H
   H7         1.0     0.787495      0.680033      0.131977     Biso  1.000000 H
   H8         1.0     0.903161      0.412666      0.145823     Biso  1.000000 H
   H9         1.0     0.837091      0.423644      0.085315     Biso  1.000000 H
   H10        1.0     0.922120      0.445459      0.063892     Biso  1.000000 H
   H11        1.0     0.863963      0.193012      0.721379     Biso  1.000000 H
   H12        1.0     0.879828      0.524277      0.883618     Biso  1.000000 H
   H13        1.0     0.780122      0.192907      0.805837     Biso  1.000000 H
   H14        1.0     0.933345      0.299215      0.708580     Biso  1.000000 H
   H15        1.0     0.747763      0.298981      0.895528     Biso  1.000000 H
   H16        1.0     0.213648      0.680155      0.867931     Biso  1.000000 H
   H17        1.0     0.097227      0.680298      0.752221     Biso  1.000000 H
   H18        1.0     0.129051      0.441730      0.948654     Biso  1.000000 H
   H19        1.0     0.062687      0.431074      0.888347     Biso  1.000000 H
   H20        1.0     0.147610      0.409096      0.866506     Biso  1.000000 H
   H21        1.0     0.278558      0.136722      0.192941     Biso  1.000000 H
   H22        1.0     0.116021      0.120743      0.524478     Biso  1.000000 H
   H23        1.0     0.194409      0.220714      0.193000     Biso  1.000000 H
   H24        1.0     0.291024      0.067187      0.299105     Biso  1.000000 H
   H25        1.0     0.104761      0.253104      0.299236     Biso  1.000000 H
   H26        1.0     0.278147      0.861812      0.806981     Biso  1.000000 H
   H27        1.0     0.116067      0.879230      0.475862     Biso  1.000000 H
   H28        1.0     0.194103      0.777712      0.807010     Biso  1.000000 H
   H29        1.0     0.290680      0.931889      0.700883     Biso  1.000000 H
   H30        1.0     0.104648      0.745736      0.700948     Biso  1.000000 H
   H31        1.0     0.753611      0.900579      0.319313     Biso  1.000000 H
   H32        1.0     0.869367      0.784182      0.319231     Biso  1.000000 H
   H33        1.0     0.853052      0.903870      0.586435     Biso  1.000000 H
   H34        1.0     0.913890      0.837602      0.576867     Biso  1.000000 H
   H35        1.0     0.935558      0.922324      0.553981     Biso  1.000000 H
   H36        1.0     0.724283      0.136852      0.807495     Biso  1.000000 H
   H37        1.0     0.883939      0.120694      0.474991     Biso  1.000000 H
   H38        1.0     0.808223      0.221055      0.807465     Biso  1.000000 H
   H39        1.0     0.711053      0.067098      0.700999     Biso  1.000000 H
   H40        1.0     0.896854      0.253481      0.700934     Biso  1.000000 H
   H41        1.0     0.320083      0.248240      0.098463     Biso  1.000000 H
   H42        1.0     0.320021      0.132290      0.214510     Biso  1.000000 H
   H43        1.0     0.587448      0.146248      0.096211     Biso  1.000000 H
   H44        1.0     0.577027      0.085699      0.162396     Biso  1.000000 H
   H45        1.0     0.554427      0.064295      0.077597     Biso  1.000000 H
   H46        1.0     0.807291      0.279487      0.863185     Biso  1.000000 H
   H47        1.0     0.475881      0.115790      0.879187     Biso  1.000000 H
   H48        1.0     0.806979      0.195503      0.779084     Biso  1.000000 H
   H49        1.0     0.701362      0.291456      0.932810     Biso  1.000000 H
   H50        1.0     0.700672      0.105556      0.746654     Biso  1.000000 H
   H51        1.0     0.192817      0.721448      0.864036     Biso  1.000000 H
   H52        1.0     0.524664      0.883408      0.879087     Biso  1.000000 H
   H53        1.0     0.192502      0.805625      0.780188     Biso  1.000000 H
   H54        1.0     0.299367      0.708775      0.933163     Biso  1.000000 H
   H55        1.0     0.298670      0.895101      0.747566     Biso  1.000000 H
   H56        1.0     0.680904      0.750651      0.098403     Biso  1.000000 H
   H57        1.0     0.680837      0.866785      0.214348     Biso  1.000000 H
   H58        1.0     0.413709      0.853822      0.096479     Biso  1.000000 H
   H59        1.0     0.424322      0.914328      0.162640     Biso  1.000000 H
   H60        1.0     0.447066      0.935598      0.077854     Biso  1.000000 H
   H61        1.0     0.820671      0.598665      0.748887     Biso  1.000000 H
   H62        1.0     0.820733      0.714616      0.632840     Biso  1.000000 H
   H63        1.0     1.068790      0.561396      0.610677     Biso  1.000000 H
   H64        1.0     1.058295      0.627580      0.550209     Biso  1.000000 H
   H65        1.0     1.091810      0.646028      0.632011     Biso  1.000000 H
   H66        1.0     0.180097      0.401320      0.748512     Biso  1.000000 H
   H67        1.0     0.180157      0.285329      0.632424     Biso  1.000000 H
   H68        1.0    -0.068637      0.437832      0.612096     Biso  1.000000 H
   H69        1.0    -0.058220      0.371687      0.551468     Biso  1.000000 H
   H70        1.0    -0.091294      0.353099      0.633500     Biso  1.000000 H
   H71        1.0     0.820933      0.400909      0.250641     Biso  1.000000 H
   H72        1.0     0.820871      0.284959      0.366688     Biso  1.000000 H
   H73        1.0     1.068906      0.438182      0.388589     Biso  1.000000 H
   H74        1.0     1.058347      0.371998      0.449069     Biso  1.000000 H
   H75        1.0     1.091948      0.353550      0.367231     Biso  1.000000 H
   H76        1.0     0.180361      0.598245      0.251693     Biso  1.000000 H
   H77        1.0     0.180300      0.714236      0.367781     Biso  1.000000 H
   H78        1.0    -0.068518      0.561730      0.388371     Biso  1.000000 H
   H79        1.0    -0.058164      0.627875      0.448988     Biso  1.000000 H
   H80        1.0    -0.091151      0.646463      0.366991     Biso  1.000000 H
   H81        1.0     0.633490      0.779557      0.692940     Biso  1.000000 H
   H82        1.0     0.622357      0.615360      1.024421     Biso  1.000000 H
   H83        1.0     0.717639      0.695565      0.692880     Biso  1.000000 H
   H84        1.0     0.565388      0.791372      0.799176     Biso  1.000000 H
   H85        1.0     0.751651      0.605455      0.799045     Biso  1.000000 H
   H86        1.0     0.285655      0.631976      0.180266     Biso  1.000000 H
   H87        1.0     0.401843      0.747948      0.180225     Biso  1.000000 H
   H88        1.0     0.337815      0.585348     -0.076486     Biso  1.000000 H
   H89        1.0     0.404078      0.645906     -0.086885     Biso  1.000000 H
   H90        1.0     0.422697      0.563963     -0.053913     Biso  1.000000 H
   H91        1.0     0.283451      0.368122      0.819979     Biso  1.000000 H
   H92        1.0     0.399637      0.252151      0.819897     Biso  1.000000 H
   H93        1.0     0.339518      0.413830      1.077129     Biso  1.000000 H
   H94        1.0     0.405717      0.352808      1.086283     Biso  1.000000 H
   H95        1.0     0.424330      0.434916      1.053275     Biso  1.000000 H
   H96        1.0     0.637402      0.221611      0.306748     Biso  1.000000 H
   H97        1.0     0.621512      0.383611     -0.024669     Biso  1.000000 H
   H98        1.0     0.721552      0.305604      0.306718     Biso  1.000000 H
   H99        1.0     0.567775      0.209091      0.200600     Biso  1.000000 H
   H100       1.0     0.754041      0.395011      0.200534     Biso  1.000000 H
   H101       1.0     0.748688      0.819204      0.598287     Biso  1.000000 H
   H102       1.0     0.632440      0.819224      0.714416     Biso  1.000000 H
   H103       1.0     0.612700      1.067889      0.562182     Biso  1.000000 H
   H104       1.0     0.551939      1.057592      0.628375     Biso  1.000000 H
   H105       1.0     0.634120      1.090325      0.647031     Biso  1.000000 H
   H106       1.0     0.749094      0.180231      0.401157     Biso  1.000000 H
   H107       1.0     0.632969      0.180209      0.285151     Biso  1.000000 H
   H108       1.0     0.612379     -0.068108      0.437753     Biso  1.000000 H
   H109       1.0     0.551741     -0.057754      0.371597     Biso  1.000000 H
   H110       1.0     0.633853     -0.090726      0.352930     Biso  1.000000 H
   H111       1.0     0.252084      0.819151      0.401690     Biso  1.000000 H
   H112       1.0     0.368333      0.819131      0.285561     Biso  1.000000 H
   H113       1.0     0.387976      1.067879      0.437890     Biso  1.000000 H
   H114       1.0     0.448749      1.057581      0.371697     Biso  1.000000 H
   H115       1.0     0.366554      1.090277      0.353043     Biso  1.000000 H
   H116       1.0     0.221630      0.306904      0.636846     Biso  1.000000 H
   H117       1.0     0.383997     -0.024276      0.620651     Biso  1.000000 H
   H118       1.0     0.305735      0.306920      0.720864     Biso  1.000000 H
   H119       1.0     0.209142      0.200797      0.567222     Biso  1.000000 H
   H120       1.0     0.395309      0.200832      0.753197     Biso  1.000000 H
   N1         1.0     0.090368      0.434381      0.194879     Biso  1.000000 N
   N2         1.0     0.182737      0.434365      0.102605     Biso  1.000000 N
   N3         1.0     0.818515      0.565062      0.102178     Biso  1.000000 N
   N4         1.0     0.910556      0.565079      0.194584     Biso  1.000000 N
   N5         1.0     0.818179      0.434446      0.897430     Biso  1.000000 N
   N6         1.0     0.910161      0.434561      0.804771     Biso  1.000000 N
   N7         1.0     0.089936      0.565247      0.805536     Biso  1.000000 N
   N8         1.0     0.182442      0.565133      0.897478     Biso  1.000000 N
   N9         1.0     0.102502      0.182526      0.434686     Biso  1.000000 N
   N10        1.0     0.194821      0.090378      0.434621     Biso  1.000000 N
   N11        1.0     0.102495      0.816984      0.565601     Biso  1.000000 N
   N12        1.0     0.194700      0.909249      0.565569     Biso  1.000000 N
   N13        1.0     0.898114      0.816855      0.434380     Biso  1.000000 N
   N14        1.0     0.806136      0.909342      0.434445     Biso  1.000000 N
   N15        1.0     0.898096      0.182669      0.565066     Biso  1.000000 N
   N16        1.0     0.806006      0.090291      0.565098     Biso  1.000000 N
   N17        1.0     0.435059      0.102575      0.182389     Biso  1.000000 N
   N18        1.0     0.435108      0.194707      0.090180     Biso  1.000000 N
   N19        1.0     0.565466      0.102697      0.817324     Biso  1.000000 N
   N20        1.0     0.565808      0.194836      0.909590     Biso  1.000000 N
   N21        1.0     0.434532      0.897103      0.817654     Biso  1.000000 N
   N22        1.0     0.434877      0.804753      0.909644     Biso  1.000000 N
   N23        1.0     0.565999      0.896942      0.182404     Biso  1.000000 N
   N24        1.0     0.566053      0.804664      0.090276     Biso  1.000000 N
   N25        1.0     0.935461      0.682252      0.602356     Biso  1.000000 N
   N26        1.0     0.935412      0.590120      0.694565     Biso  1.000000 N
   N27        1.0     0.065152      0.317352      0.602755     Biso  1.000000 N
   N28        1.0     0.065104      0.409517      0.694997     Biso  1.000000 N
   N29        1.0     0.935567      0.317324      0.397051     Biso  1.000000 N
   N30        1.0     0.935616      0.409456      0.304842     Biso  1.000000 N
   N31        1.0     0.065263      0.682212      0.397571     Biso  1.000000 N
   N32        1.0     0.065311      0.590047      0.305329     Biso  1.000000 N
   N33        1.0     0.682934      0.602397      0.934563     Biso  1.000000 N
   N34        1.0     0.590614      0.694545      0.934628     Biso  1.000000 N
   N35        1.0     0.410125      0.694395      0.065308     Biso  1.000000 N
   N36        1.0     0.317805      0.602246      0.065340     Biso  1.000000 N
   N37        1.0     0.409677      0.305170      0.934653     Biso  1.000000 N
   N38        1.0     0.317357      0.397318      0.934718     Biso  1.000000 N
   N39        1.0     0.683379      0.397170      0.065111     Biso  1.000000 N
   N40        1.0     0.591058      0.305021      0.065143     Biso  1.000000 N
   N41        1.0     0.603001      0.934165      0.682557     Biso  1.000000 N
   N42        1.0     0.695370      0.934149      0.590283     Biso  1.000000 N
   N43        1.0     0.603186      0.065407      0.317202     Biso  1.000000 N
   N44        1.0     0.695457      0.065424      0.409378     Biso  1.000000 N
   N45        1.0     0.397729      0.934099      0.317463     Biso  1.000000 N
   N46        1.0     0.305360      0.934115      0.409737     Biso  1.000000 N
   N47        1.0     0.397533      0.065471      0.682510     Biso  1.000000 N
   N48        1.0     0.305261      0.065454      0.590334     Biso  1.000000 N
   Zn1        1.0     0.250315      0.499694     -0.000043     Biso  1.000000 Zn
   Zn2        1.0    -0.000129      0.499737      0.250143     Biso  1.000000 Zn
   Zn3        1.0     0.750937      0.499698     -0.000308     Biso  1.000000 Zn
   Zn4        1.0     0.999608      0.499833      0.749724     Biso  1.000000 Zn
   Zn5        1.0     0.250047      0.000091      0.499977     Biso  1.000000 Zn
   Zn6        1.0    -0.000262      0.249935      0.500153     Biso  1.000000 Zn
   Zn7        1.0    -0.000259      0.749628      0.500242     Biso  1.000000 Zn
   Zn8        1.0     0.750663      1.000094      0.499890     Biso  1.000000 Zn
   Zn9        1.0     0.500624      0.249850     -0.000220     Biso  1.000000 Zn
   Zn10       1.0     0.500491      0.000048      0.249790     Biso  1.000000 Zn
   Zn11       1.0     0.500226      0.000137      0.749899     Biso  1.000000 Zn
   Zn12       1.0     0.501157      0.749365      0.999868     Biso  1.000000 Zn
