
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'mesa'
_cell_length_a                         18.076178
_cell_length_b                         18.076178
_cell_length_c                         18.076178
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           5906.358430
_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
   Zr1         1.0     0.134697     0.513753     0.014990    Biso  1.000000 Zr
   Zr2         1.0     0.865079     0.489256     0.984566    Biso  1.000000 Zr
   Zr3         1.0     0.361876     0.986026     0.005231    Biso  1.000000 Zr
   Zr4         1.0     0.637898     0.015883     0.994377    Biso  1.000000 Zr
   Zr5         1.0     0.361241     0.511818     0.493145    Biso  1.000000 Zr
   Zr6         1.0     0.637417     0.487516     0.506311    Biso  1.000000 Zr
   Zr7         1.0     0.134073     0.984848     0.482488    Biso  1.000000 Zr
   Zr8         1.0     0.865044     0.014393     0.515856    Biso  1.000000 Zr
   Zr9         1.0     0.008222     0.136774     0.506488    Biso  1.000000 Zr
   Zr10        1.0     0.990966     0.862768     0.492018    Biso  1.000000 Zr
   Zr11        1.0     0.005901     0.363681     0.988975    Biso  1.000000 Zr
   Zr12        1.0     0.994222     0.639441     0.010120    Biso  1.000000 Zr
   Zr13        1.0     0.493898     0.364603     0.509176    Biso  1.000000 Zr
   Zr14        1.0     0.504577     0.635462     0.489836    Biso  1.000000 Zr
   Zr15        1.0     0.492830     0.137542     0.987623    Biso  1.000000 Zr
   Zr16        1.0     0.507191     0.864254     0.011976    Biso  1.000000 Zr
   Zr17        1.0     0.504760     0.013096     0.137714    Biso  1.000000 Zr
   Zr18        1.0     0.495067     0.988523     0.861848    Biso  1.000000 Zr
   Zr19        1.0     0.983798     0.008212     0.359137    Biso  1.000000 Zr
   Zr20        1.0     0.015473     0.991754     0.638970    Biso  1.000000 Zr
   Zr21        1.0     0.505636     0.490128     0.360415    Biso  1.000000 Zr
   Zr22        1.0     0.493081     0.510708     0.639087    Biso  1.000000 Zr
   Zr23        1.0     0.985426     0.489355     0.138359    Biso  1.000000 Zr
   Zr24        1.0     0.014232     0.513590     0.860933    Biso  1.000000 Zr
   O1          1.0     0.203193     0.408470     0.012004    Biso  1.000000 O
   O2          1.0     0.796463     0.595602     0.988872    Biso  1.000000 O
   O3          1.0     0.293208     0.094690     0.002738    Biso  1.000000 O
   O4          1.0     0.706315     0.907683     0.998070    Biso  1.000000 O
   O5          1.0     0.294779     0.402094     0.494819    Biso  1.000000 O
   O6          1.0     0.704580     0.596967     0.502091    Biso  1.000000 O
   O7          1.0     0.204236     0.088574     0.480102    Biso  1.000000 O
   O8          1.0     0.794901     0.910148     0.518948    Biso  1.000000 O
   O9          1.0     0.996604     0.201818     0.402651    Biso  1.000000 O
   O10         1.0     0.003183     0.798271     0.596078    Biso  1.000000 O
   O11         1.0     0.999288     0.295209     0.093252    Biso  1.000000 O
   O12         1.0     0.001157     0.707390     0.905877    Biso  1.000000 O
   O13         1.0     0.499051     0.297506     0.404286    Biso  1.000000 O
   O14         1.0     0.503569     0.702500     0.592894    Biso  1.000000 O
   O15         1.0     0.493879     0.207335     0.092240    Biso  1.000000 O
   O16         1.0     0.504993     0.793847     0.907338    Biso  1.000000 O
   O17         1.0     0.397149     0.004230     0.201280    Biso  1.000000 O
   O18         1.0     0.603245     0.996354     0.798504    Biso  1.000000 O
   O19         1.0     0.086740     0.004410     0.286979    Biso  1.000000 O
   O20         1.0     0.913217     0.996497     0.711432    Biso  1.000000 O
   O21         1.0     0.399221     0.495211     0.297150    Biso  1.000000 O
   O22         1.0     0.599913     0.505011     0.702219    Biso  1.000000 O
   O23         1.0     0.088778     0.493675     0.210167    Biso  1.000000 O
   O24         1.0     0.909907     0.508906     0.789655    Biso  1.000000 O
   O25         1.0     0.187059     0.621980     0.029116    Biso  1.000000 O
   O26         1.0     0.812857     0.380754     0.970701    Biso  1.000000 O
   O27         1.0     0.310483     0.875150     0.013357    Biso  1.000000 O
   O28         1.0     0.689691     0.126941     0.985572    Biso  1.000000 O
   O29         1.0     0.307247     0.622267     0.485369    Biso  1.000000 O
   O30         1.0     0.691449     0.376213     0.514986    Biso  1.000000 O
   O31         1.0     0.184078     0.875670     0.470386    Biso  1.000000 O
   O32         1.0     0.815292     0.123864     0.527158    Biso  1.000000 O
   O33         1.0     0.023492     0.189956     0.617250    Biso  1.000000 O
   O34         1.0     0.978052     0.810799     0.381171    Biso  1.000000 O
   O35         1.0     0.017833     0.312752     0.872679    Biso  1.000000 O
   O36         1.0     0.986623     0.689872     0.125846    Biso  1.000000 O
   O37         1.0     0.488020     0.314065     0.621371    Biso  1.000000 O
   O38         1.0     0.508023     0.686646     0.378110    Biso  1.000000 O
   O39         1.0     0.485225     0.188604     0.871149    Biso  1.000000 O
   O40         1.0     0.514280     0.813138     0.128788    Biso  1.000000 O
   O41         1.0     0.614034     0.030075     0.192637    Biso  1.000000 O
   O42         1.0     0.385509     0.973455     0.807205    Biso  1.000000 O
   O43         1.0     0.867706     0.019286     0.313534    Biso  1.000000 O
   O44         1.0     0.132068     0.981155     0.685466    Biso  1.000000 O
   O45         1.0     0.616976     0.479611     0.307894    Biso  1.000000 O
   O46         1.0     0.382875     0.521682     0.691259    Biso  1.000000 O
   O47         1.0     0.868326     0.479477     0.186921    Biso  1.000000 O
   O48         1.0     0.131489     0.525486     0.812977    Biso  1.000000 O
   O49         1.0     0.182435     0.510530     0.127812    Biso  1.000000 O
   O50         1.0     0.816229     0.493347     0.872278    Biso  1.000000 O
   O51         1.0     0.305350     0.985432     0.117364    Biso  1.000000 O
   O52         1.0     0.694779     0.015587     0.882707    Biso  1.000000 O
   O53         1.0     0.306021     0.512307     0.380116    Biso  1.000000 O
   O54         1.0     0.692999     0.487604     0.619228    Biso  1.000000 O
   O55         1.0     0.180117     0.984183     0.368871    Biso  1.000000 O
   O56         1.0     0.819112     0.015594     0.629993    Biso  1.000000 O
   O57         1.0     0.127941     0.188037     0.495361    Biso  1.000000 O
   O58         1.0     0.872244     0.811131     0.505519    Biso  1.000000 O
   O59         1.0     0.125839     0.310462     0.993742    Biso  1.000000 O
   O60         1.0     0.875555     0.692714     0.005175    Biso  1.000000 O
   O61         1.0     0.380681     0.309952     0.505559    Biso  1.000000 O
   O62         1.0     0.619326     0.689733     0.490162    Biso  1.000000 O
   O63         1.0     0.378143     0.187706     0.990867    Biso  1.000000 O
   O64         1.0     0.621847     0.814128     0.009929    Biso  1.000000 O
   O65         1.0     0.495268     0.124512     0.187002    Biso  1.000000 O
   O66         1.0     0.503146     0.877192     0.813184    Biso  1.000000 O
   O67         1.0     0.982466     0.122512     0.306074    Biso  1.000000 O
   O68         1.0     0.016808     0.878366     0.692117    Biso  1.000000 O
   O69         1.0     0.502508     0.377340     0.307032    Biso  1.000000 O
   O70         1.0     0.497925     0.625631     0.691981    Biso  1.000000 O
   O71         1.0     0.985214     0.377611     0.187492    Biso  1.000000 O
   O72         1.0     0.013397     0.624660     0.811726    Biso  1.000000 O
   O73         1.0     0.205892     0.527876     0.914043    Biso  1.000000 O
   O74         1.0     0.794206     0.475801     0.085659    Biso  1.000000 O
   O75         1.0     0.298451     0.974733     0.897912    Biso  1.000000 O
   O76         1.0     0.701155     0.029604     0.101893    Biso  1.000000 O
   O77         1.0     0.297058     0.522443     0.599128    Biso  1.000000 O
   O78         1.0     0.702314     0.475114     0.400398    Biso  1.000000 O
   O79         1.0     0.205683     0.971386     0.583959    Biso  1.000000 O
   O80         1.0     0.793344     0.026011     0.414898    Biso  1.000000 O
   O81         1.0     0.908183     0.207385     0.521592    Biso  1.000000 O
   O82         1.0     0.091136     0.792363     0.477183    Biso  1.000000 O
   O83         1.0     0.905024     0.296289     0.974846    Biso  1.000000 O
   O84         1.0     0.095233     0.706646     0.023119    Biso  1.000000 O
   O85         1.0     0.593851     0.298411     0.518553    Biso  1.000000 O
   O86         1.0     0.403929     0.701572     0.482938    Biso  1.000000 O
   O87         1.0     0.591883     0.204547     0.978516    Biso  1.000000 O
   O88         1.0     0.408193     0.797464     0.021184    Biso  1.000000 O
   O89         1.0     0.516810     0.911786     0.206375    Biso  1.000000 O
   O90         1.0     0.484426     0.089840     0.793620    Biso  1.000000 O
   O91         1.0     0.971234     0.903053     0.295736    Biso  1.000000 O
   O92         1.0     0.029925     0.098439     0.703350    Biso  1.000000 O
   O93         1.0     0.512184     0.595308     0.291783    Biso  1.000000 O
   O94         1.0     0.486852     0.405871     0.707392    Biso  1.000000 O
   O95         1.0     0.975742     0.592609     0.204790    Biso  1.000000 O
   O96         1.0     0.025874     0.411046     0.794681    Biso  1.000000 O
   O97         1.0     0.063443     0.572978     0.945248    Biso  1.000000 O
   O98         1.0     0.936185     0.429814     0.054038    Biso  1.000000 O
   O99         1.0     0.440239     0.928755     0.942214    Biso  1.000000 O
   O100        1.0     0.559586     0.073351     0.057600    Biso  1.000000 O
   O101        1.0     0.438152     0.569933     0.558606    Biso  1.000000 O
   O102        1.0     0.560977     0.430105     0.440551    Biso  1.000000 O
   O103        1.0     0.062069     0.929715     0.554943    Biso  1.000000 O
   O104        1.0     0.937255     0.069480     0.443901    Biso  1.000000 O
   O105        1.0     0.952232     0.062542     0.575756    Biso  1.000000 O
   O106        1.0     0.046639     0.937942     0.423297    Biso  1.000000 O
   O107        1.0     0.950253     0.441158     0.922735    Biso  1.000000 O
   O108        1.0     0.049173     0.561286     0.076328    Biso  1.000000 O
   O109        1.0     0.554462     0.440771     0.572461    Biso  1.000000 O
   O110        1.0     0.443928     0.559492     0.426757    Biso  1.000000 O
   O111        1.0     0.555124     0.061481     0.926343    Biso  1.000000 O
   O112        1.0     0.444903     0.940018     0.073437    Biso  1.000000 O
   O113        1.0     0.583337     0.939074     0.075104    Biso  1.000000 O
   O114        1.0     0.416663     0.063135     0.924414    Biso  1.000000 O
   O115        1.0     0.910201     0.934894     0.431528    Biso  1.000000 O
   O116        1.0     0.088287     0.063872     0.566001    Biso  1.000000 O
   O117        1.0     0.582157     0.564224     0.425788    Biso  1.000000 O
   O118        1.0     0.416433     0.435698     0.573680    Biso  1.000000 O
   O119        1.0     0.913411     0.565577     0.069630    Biso  1.000000 O
   O120        1.0     0.086174     0.437699     0.930119    Biso  1.000000 O
   O121        1.0     0.071424     0.425160     0.074115    Biso  1.000000 O
   O122        1.0     0.928129     0.577595     0.925312    Biso  1.000000 O
   O123        1.0     0.421923     0.074415     0.068425    Biso  1.000000 O
   O124        1.0     0.578005     0.926889     0.931147    Biso  1.000000 O
   O125        1.0     0.423204     0.425513     0.428164    Biso  1.000000 O
   O126        1.0     0.576294     0.574765     0.570776    Biso  1.000000 O
   O127        1.0     0.071690     0.072995     0.421216    Biso  1.000000 O
   O128        1.0     0.927568     0.927177     0.577221    Biso  1.000000 O
   C1          1.0     0.163554     0.688626     0.025982    Biso  1.000000 C
   C2          1.0     0.836547     0.314137     0.972862    Biso  1.000000 C
   C3          1.0     0.338979     0.810699     0.015236    Biso  1.000000 C
   C4          1.0     0.661184     0.191363     0.983994    Biso  1.000000 C
   C5          1.0     0.334878     0.687080     0.486405    Biso  1.000000 C
   C6          1.0     0.663194     0.311659     0.515919    Biso  1.000000 C
   C7          1.0     0.159659     0.809392     0.473885    Biso  1.000000 C
   C8          1.0     0.839588     0.190241     0.524540    Biso  1.000000 C
   C9          1.0     0.024721     0.166728     0.684169    Biso  1.000000 C
   C10         1.0     0.977025     0.834843     0.314428    Biso  1.000000 C
   C11         1.0     0.017516     0.342164     0.808562    Biso  1.000000 C
   C12         1.0     0.987317     0.661008     0.190174    Biso  1.000000 C
   C13         1.0     0.488826     0.337743     0.688048    Biso  1.000000 C
   C14         1.0     0.508659     0.663546     0.311327    Biso  1.000000 C
   C15         1.0     0.484402     0.159266     0.807028    Biso  1.000000 C
   C16         1.0     0.514621     0.842267     0.192948    Biso  1.000000 C
   C17         1.0     0.681021     0.032959     0.169832    Biso  1.000000 C
   C18         1.0     0.318491     0.971611     0.829834    Biso  1.000000 C
   C19         1.0     0.804841     0.022816     0.345210    Biso  1.000000 C
   C20         1.0     0.194915     0.975445     0.653619    Biso  1.000000 C
   C21         1.0     0.683475     0.473682     0.332084    Biso  1.000000 C
   C22         1.0     0.316212     0.525251     0.667424    Biso  1.000000 C
   C23         1.0     0.805290     0.475416     0.155405    Biso  1.000000 C
   C24         1.0     0.194631     0.528961     0.844228    Biso  1.000000 C
   C25         1.0     0.218036     0.749818     0.026136    Biso  1.000000 C
   C26         1.0     0.782142     0.252752     0.972616    Biso  1.000000 C
   C27         1.0     0.290816     0.743064     0.009925    Biso  1.000000 C
   C28         1.0     0.709380     0.259113     0.989240    Biso  1.000000 C
   C29         1.0     0.285821     0.754155     0.492062    Biso  1.000000 C
   C30         1.0     0.711790     0.243700     0.513856    Biso  1.000000 C
   C31         1.0     0.213550     0.747681     0.473766    Biso  1.000000 C
   C32         1.0     0.785504     0.251824     0.524516    Biso  1.000000 C
   C33         1.0     0.024287     0.221254     0.745547    Biso  1.000000 C
   C34         1.0     0.979177     0.780978     0.252821    Biso  1.000000 C
   C35         1.0     0.008854     0.294421     0.740166    Biso  1.000000 C
   C36         1.0     0.998413     0.708806     0.257720    Biso  1.000000 C
   C37         1.0     0.489794     0.282273     0.748516    Biso  1.000000 C
   C38         1.0     0.508236     0.719091     0.251014    Biso  1.000000 C
   C39         1.0     0.482317     0.208256     0.738950    Biso  1.000000 C
   C40         1.0     0.513990     0.793153     0.260965    Biso  1.000000 C
   C41         1.0     0.741378     0.036927     0.225387    Biso  1.000000 C
   C42         1.0     0.257953     0.967745     0.774393    Biso  1.000000 C
   C43         1.0     0.735533     0.020839     0.298350    Biso  1.000000 C
   C44         1.0     0.264535     0.977553     0.700345    Biso  1.000000 C
   C45         1.0     0.744324     0.469462     0.277318    Biso  1.000000 C
   C46         1.0     0.255422     0.530613     0.722133    Biso  1.000000 C
   C47         1.0     0.735955     0.472455     0.202844    Biso  1.000000 C
   C48         1.0     0.263911     0.530370     0.796605    Biso  1.000000 C
   C49         1.0     0.189759     0.339848    -0.000007    Biso  1.000000 C
   C50         1.0     0.811217     0.663614     0.002581    Biso  1.000000 C
   C51         1.0     0.311772     0.163413     0.998153    Biso  1.000000 C
   C52         1.0     0.688102     0.839002     0.003751    Biso  1.000000 C
   C53         1.0     0.314271     0.333750     0.497748    Biso  1.000000 C
   C54         1.0     0.685451     0.665482     0.498107    Biso  1.000000 C
   C55         1.0     0.191106     0.158159     0.484451    Biso  1.000000 C
   C56         1.0     0.808805     0.840674     0.515570    Biso  1.000000 C
   C57         1.0     0.982393     0.186994     0.334943    Biso  1.000000 C
   C58         1.0     0.017395     0.813663     0.663602    Biso  1.000000 C
   C59         1.0     0.989164     0.311763     0.161522    Biso  1.000000 C
   C60         1.0     0.010477     0.690649     0.837616    Biso  1.000000 C
   C61         1.0     0.506209     0.312876     0.335780    Biso  1.000000 C
   C62         1.0     0.498607     0.689629     0.662180    Biso  1.000000 C
   C63         1.0     0.496455     0.190514     0.160839    Biso  1.000000 C
   C64         1.0     0.502177     0.810952     0.838786    Biso  1.000000 C
   C65         1.0     0.331005     0.986485     0.183053    Biso  1.000000 C
   C66         1.0     0.669370     0.014088     0.817013    Biso  1.000000 C
   C67         1.0     0.154632     0.991726     0.303344    Biso  1.000000 C
   C68         1.0     0.845088     0.008294     0.695369    Biso  1.000000 C
   C69         1.0     0.332581     0.511120     0.314783    Biso  1.000000 C
   C70         1.0     0.666492     0.488905     0.684726    Biso  1.000000 C
   C71         1.0     0.156589     0.504738     0.193491    Biso  1.000000 C
   C72         1.0     0.842064     0.498257     0.806390    Biso  1.000000 C
   C73         1.0     0.258406     0.291943     0.993982    Biso  1.000000 C
   C74         1.0     0.743354     0.711443     0.014181    Biso  1.000000 C
   C75         1.0     0.250602     0.217733     0.000538    Biso  1.000000 C
   C76         1.0     0.749749     0.785141     0.002243    Biso  1.000000 C
   C77         1.0     0.253166     0.278925     0.494098    Biso  1.000000 C
   C78         1.0     0.746831     0.720018     0.502274    Biso  1.000000 C
   C79         1.0     0.259408     0.206130     0.477788    Biso  1.000000 C
   C80         1.0     0.740749     0.792136     0.521586    Biso  1.000000 C
   C81         1.0     0.968892     0.254176     0.287195    Biso  1.000000 C
   C82         1.0     0.031469     0.747102     0.711823    Biso  1.000000 C
   C83         1.0     0.985570     0.249180     0.214300    Biso  1.000000 C
   C84         1.0     0.014293     0.752779     0.784525    Biso  1.000000 C
   C85         1.0     0.517444     0.246695     0.286352    Biso  1.000000 C
   C86         1.0     0.495369     0.758046     0.710376    Biso  1.000000 C
   C87         1.0     0.497542     0.252422     0.214429    Biso  1.000000 C
   C88         1.0     0.500074     0.749460     0.784694    Biso  1.000000 C
   C89         1.0     0.280794     0.970949     0.247796    Biso  1.000000 C
   C90         1.0     0.719662     0.029685     0.752434    Biso  1.000000 C
   C91         1.0     0.208455     0.989544     0.241430    Biso  1.000000 C
   C92         1.0     0.791693     0.009748     0.757761    Biso  1.000000 C
   C93         1.0     0.282760     0.525543     0.249397    Biso  1.000000 C
   C94         1.0     0.716383     0.474978     0.750120    Biso  1.000000 C
   C95         1.0     0.210404     0.506825     0.255491    Biso  1.000000 C
   C96         1.0     0.788350     0.495053     0.744386    Biso  1.000000 C
   C97         1.0     0.330595     0.673822     0.987537    Biso  1.000000 C
   C98         1.0     0.669566     0.328146     0.012206    Biso  1.000000 C
   C99         1.0     0.324250     0.823332     0.516966    Biso  1.000000 C
   C100        1.0     0.672474     0.171690     0.500757    Biso  1.000000 C
   C101        1.0     0.985899     0.335020     0.671640    Biso  1.000000 C
   C102        1.0     0.025225     0.669209     0.325435    Biso  1.000000 C
   C103        1.0     0.472495     0.169909     0.665921    Biso  1.000000 C
   C104        1.0     0.520230     0.831186     0.334578    Biso  1.000000 C
   C105        1.0     0.666756     0.999731     0.339683    Biso  1.000000 C
   C106        1.0     0.334461     0.991949     0.658149    Biso  1.000000 C
   C107        1.0     0.663409     0.475243     0.162546    Biso  1.000000 C
   C108        1.0     0.336719     0.527365     0.836537    Biso  1.000000 C
   C109        1.0     0.330313     0.331827     0.982894    Biso  1.000000 C
   C110        1.0     0.673558     0.671267     0.034245    Biso  1.000000 C
   C111        1.0     0.328757     0.166359     0.455985    Biso  1.000000 C
   C112        1.0     0.671458     0.830852     0.545432    Biso  1.000000 C
   C113        1.0     0.943769     0.322263     0.327356    Biso  1.000000 C
   C114        1.0     0.057319     0.678923     0.672311    Biso  1.000000 C
   C115        1.0     0.547376     0.179081     0.323747    Biso  1.000000 C
   C116        1.0     0.489034     0.830563     0.670402    Biso  1.000000 C
   C117        1.0     0.318488     0.942032     0.315910    Biso  1.000000 C
   C118        1.0     0.682327     0.061154     0.685316    Biso  1.000000 C
   C119        1.0     0.320656     0.554539     0.181474    Biso  1.000000 C
   C120        1.0     0.678668     0.445281     0.817877    Biso  1.000000 C
   H1          1.0     0.195819     0.804441     0.038865    Biso  1.000000 H
   H2          1.0     0.804467     0.198270     0.959448    Biso  1.000000 H
   H3          1.0     0.191592     0.693329     0.459449    Biso  1.000000 H
   H4          1.0     0.808279     0.307173     0.532023    Biso  1.000000 H
   H5          1.0     0.037369     0.198582     0.799947    Biso  1.000000 H
   H6          1.0     0.962729     0.802902     0.199074    Biso  1.000000 H
   H7          1.0     0.495990     0.304051     0.804434    Biso  1.000000 H
   H8          1.0     0.504705     0.697317     0.194877    Biso  1.000000 H
   H9          1.0     0.796039     0.049685     0.203212    Biso  1.000000 H
   H10         1.0     0.202866     0.958761     0.797338    Biso  1.000000 H
   H11         1.0     0.799995     0.466894     0.300391    Biso  1.000000 H
   H12         1.0     0.199733     0.532245     0.699064    Biso  1.000000 H
   H13         1.0     0.195337     0.194765     0.008126    Biso  1.000000 H
   H14         1.0     0.804089     0.807886     0.989213    Biso  1.000000 H
   H15         1.0     0.198270     0.300901     0.506231    Biso  1.000000 H
   H16         1.0     0.801596     0.698508     0.488846    Biso  1.000000 H
   H17         1.0     0.000542     0.195396     0.191409    Biso  1.000000 H
   H18         1.0     0.998827     0.806664     0.806782    Biso  1.000000 H
   H19         1.0     0.480289     0.306100     0.192922    Biso  1.000000 H
   H20         1.0     0.503640     0.693820     0.807694    Biso  1.000000 H
   H21         1.0     0.187299     0.007029     0.187666    Biso  1.000000 H
   H22         1.0     0.813051     0.990900     0.810997    Biso  1.000000 H
   H23         1.0     0.188967     0.489637     0.309260    Biso  1.000000 H
   H24         1.0     0.809711     0.512686     0.690744    Biso  1.000000 H
   H25         1.0     0.292812     0.633148     0.963777    Biso  1.000000 H
   H26         1.0     0.357234     0.648164     0.035958    Biso  1.000000 H
   H27         1.0     0.642388     0.353854     0.964112    Biso  1.000000 H
   H28         1.0     0.707475     0.368857     0.035684    Biso  1.000000 H
   H29         1.0     0.351087     0.850919     0.469724    Biso  1.000000 H
   H30         1.0     0.285806     0.863012     0.541416    Biso  1.000000 H
   H31         1.0     0.703187     0.136481     0.462159    Biso  1.000000 H
   H32         1.0     0.616316     0.181862     0.480819    Biso  1.000000 H
   H33         1.0     0.949855     0.381583     0.686272    Biso  1.000000 H
   H34         1.0     0.959080     0.298380     0.631720    Biso  1.000000 H
   H35         1.0     0.061586     0.623236     0.309709    Biso  1.000000 H
   H36         1.0     0.978288     0.644601     0.355510    Biso  1.000000 H
   H37         1.0     0.425373     0.193027     0.635281    Biso  1.000000 H
   H38         1.0     0.520858     0.178909     0.630227    Biso  1.000000 H
   H39         1.0     0.525612     0.890910     0.327074    Biso  1.000000 H
   H40         1.0     0.567629     0.809704     0.366049    Biso  1.000000 H
   H41         1.0     0.623233     0.979716     0.302811    Biso  1.000000 H
   H42         1.0     0.644368     0.048149     0.369106    Biso  1.000000 H
   H43         1.0     0.356421     0.939767     0.635667    Biso  1.000000 H
   H44         1.0     0.377089     0.015935     0.693564    Biso  1.000000 H
   H45         1.0     0.626924     0.430003     0.180025    Biso  1.000000 H
   H46         1.0     0.633094     0.526406     0.175506    Biso  1.000000 H
   H47         1.0     0.369014     0.478893     0.819034    Biso  1.000000 H
   H48         1.0     0.371207     0.575354     0.822393    Biso  1.000000 H
   H49         1.0     0.360048     0.309528     0.934795    Biso  1.000000 H
   H50         1.0     0.367508     0.322818     0.030164    Biso  1.000000 H
   H51         1.0     0.636581     0.667213     0.986031    Biso  1.000000 H
   H52         1.0     0.642247     0.701634     0.076386    Biso  1.000000 H
   H53         1.0     0.316290     0.126060     0.412287    Biso  1.000000 H
   H54         1.0     0.349996     0.134064     0.503104    Biso  1.000000 H
   H55         1.0     0.628906     0.792004     0.563574    Biso  1.000000 H
   H56         1.0     0.684422     0.870930     0.589177    Biso  1.000000 H
   H57         1.0     0.991567     0.356635     0.342969    Biso  1.000000 H
   H58         1.0     0.908393     0.356618     0.292233    Biso  1.000000 H
   H59         1.0     0.092275     0.644734     0.708006    Biso  1.000000 H
   H60         1.0     0.009810     0.644467     0.656033    Biso  1.000000 H
   H61         1.0     0.585542     0.195577     0.367844    Biso  1.000000 H
   H62         1.0     0.502508     0.147610     0.350356    Biso  1.000000 H
   H63         1.0     0.478338     0.821118     0.611665    Biso  1.000000 H
   H64         1.0     0.445636     0.865033     0.694922    Biso  1.000000 H
   H65         1.0     0.370496     0.914736     0.300915    Biso  1.000000 H
   H66         1.0     0.332163     0.987536     0.354021    Biso  1.000000 H
   H67         1.0     0.666797     0.017054     0.646299    Biso  1.000000 H
   H68         1.0     0.631450     0.090031     0.701278    Biso  1.000000 H
   H69         1.0     0.336248     0.508874     0.144292    Biso  1.000000 H
   H70         1.0     0.371746     0.583341     0.196904    Biso  1.000000 H
   H71         1.0     0.629053     0.414170     0.802044    Biso  1.000000 H
   H72         1.0     0.660392     0.490665     0.854161    Biso  1.000000 H
   H73         1.0     0.368381     0.809195     0.556049    Biso  1.000000 H
   H74         1.0     0.540449     0.862708     0.675448    Biso  1.000000 H
   H75         1.0     0.648355     0.863297     0.499290    Biso  1.000000 H
   H76         1.0     0.471649     0.819396     0.369116    Biso  1.000000 H
   H77         1.0     0.327929     0.525758     0.896315    Biso  1.000000 H
   H78         1.0     0.464483     0.110616     0.674304    Biso  1.000000 H
   H79         1.0     0.625409     0.314498     0.051538    Biso  1.000000 H
   H80         1.0     0.716210     0.410925     0.850652    Biso  1.000000 H
   H81         1.0     0.668215     0.139916     0.552429    Biso  1.000000 H
   H82         1.0     0.672587     0.472768     0.102876    Biso  1.000000 H
   H83         1.0     0.574794     0.142069     0.284609    Biso  1.000000 H
   H84         1.0     0.320700     0.391198     0.976407    Biso  1.000000 H
   H85         1.0     0.284021     0.590774     0.149696    Biso  1.000000 H
   H86         1.0     0.375171     0.687251     0.948605    Biso  1.000000 H
   H87         1.0     0.719709     0.098255     0.655462    Biso  1.000000 H
   H88         1.0     0.323078     0.027495     0.610348    Biso  1.000000 H
   H89         1.0     0.680051     0.958910     0.382607    Biso  1.000000 H
   H90         1.0     0.282393     0.904315     0.346591    Biso  1.000000 H
   H91         1.0     0.372249     0.204469     0.438490    Biso  1.000000 H
   H92         1.0     0.915128     0.307053     0.378583    Biso  1.000000 H
   H93         1.0     0.034630     0.359239     0.644181    Biso  1.000000 H
   H94         1.0     0.086703     0.694026     0.621461    Biso  1.000000 H
   H95         1.0     0.053049     0.706772     0.363809    Biso  1.000000 H
   H96         1.0     0.686337     0.615183     0.053046    Biso  1.000000 H
   H97         1.0     0.381358     0.406335     0.603648    Biso  1.000000 H
   H98         1.0     0.608019     0.608872     0.599116    Biso  1.000000 H
   H99         1.0     0.391569     0.391609     0.399220    Biso  1.000000 H
   H100        1.0     0.616851     0.595624     0.397609    Biso  1.000000 H
   H101        1.0     0.389635     0.108470     0.095740    Biso  1.000000 H
   H102        1.0     0.381701     0.091293     0.893520    Biso  1.000000 H
   H103        1.0     0.610641     0.892946     0.904073    Biso  1.000000 H
   H104        1.0     0.895161     0.895588     0.607819    Biso  1.000000 H
   H105        1.0     0.104875     0.104248     0.391386    Biso  1.000000 H
   H106        1.0     0.126983     0.094157     0.589599    Biso  1.000000 H
   H107        1.0     0.122454     0.408197     0.902142    Biso  1.000000 H
   H108        1.0     0.873245     0.904753     0.405343    Biso  1.000000 H
   H109        1.0     0.618930     0.909996     0.104695    Biso  1.000000 H
   H110        1.0     0.876175     0.593867     0.097731    Biso  1.000000 H
   H111        1.0     0.896977     0.610475     0.894704    Biso  1.000000 H
   H112        1.0     0.103079     0.392540     0.104750    Biso  1.000000 H
   S1          1.0     0.309476     0.323834     0.663868    Biso  1.000000 S
   S2          1.0     0.679593     0.662097     0.311727    Biso  1.000000 S
   S3          1.0     0.210067     0.150863     0.661757    Biso  1.000000 S
   S4          1.0     0.801790     0.808307     0.346078    Biso  1.000000 S
   S5          1.0     0.198794     0.352344     0.822017    Biso  1.000000 S
   S6          1.0     0.818766     0.675881     0.174510    Biso  1.000000 S
   S7          1.0     0.300184     0.169070     0.833052    Biso  1.000000 S
   S8          1.0     0.700170     0.845980     0.176097    Biso  1.000000 S
   S9          1.0     0.679663     0.823348     0.812520    Biso  1.000000 S
   S10         1.0     0.315529     0.174639     0.184716    Biso  1.000000 S
   S11         1.0     0.688330     0.676639     0.673493    Biso  1.000000 S
   S12         1.0     0.319565     0.320101     0.323360    Biso  1.000000 S
   S13         1.0     0.817963     0.687354     0.833683    Biso  1.000000 S
   S14         1.0     0.182704     0.322445     0.166168    Biso  1.000000 S
   S15         1.0     0.844824     0.813449     0.689423    Biso  1.000000 S
   S16         1.0     0.156689     0.187484     0.311897    Biso  1.000000 S
   H1          1.0     0.267302     0.371110     0.338705    Biso  1.000000 H
   H2          1.0     0.727824     0.618391     0.648386    Biso  1.000000 H
   H3          1.0     0.223633     0.174147     0.279752    Biso  1.000000 H
   H4          1.0     0.774969     0.825648     0.714214    Biso  1.000000 H
   H5          1.0     0.219653     0.374184     0.204996    Biso  1.000000 H
   H6          1.0     0.768317     0.635990     0.855437    Biso  1.000000 H
   H7          1.0     0.269537     0.124719     0.153469    Biso  1.000000 H
   H8          1.0     0.734532     0.867629     0.836886    Biso  1.000000 H
   H9          1.0     0.793277     0.819325     0.272449    Biso  1.000000 H
   H10         1.0     0.176147     0.216834     0.668942    Biso  1.000000 H
   H11         1.0     0.679655     0.889904     0.232804    Biso  1.000000 H
   H12         1.0     0.284322     0.157312     0.759998    Biso  1.000000 H
   H13         1.0     0.839464     0.628573     0.228374    Biso  1.000000 H
   H14         1.0     0.263271     0.381669     0.845391    Biso  1.000000 H
   H15         1.0     0.652446     0.601469     0.277283    Biso  1.000000 H
   H16         1.0     0.352964     0.298360     0.718947    Biso  1.000000 H
   H17         1.0     0.347248     0.360529     0.267051    Biso  1.000000 H
   H18         1.0     0.659942     0.637118     0.730095    Biso  1.000000 H
   H19         1.0     0.120705     0.147105     0.260372    Biso  1.000000 H
   H20         1.0     0.874681     0.855302     0.743495    Biso  1.000000 H
   H21         1.0     0.156700     0.289025     0.228462    Biso  1.000000 H
   H22         1.0     0.809081     0.670445     0.761618    Biso  1.000000 H
   H23         1.0     0.355408     0.120868     0.218314    Biso  1.000000 H
   H24         1.0     0.642049     0.881069     0.783077    Biso  1.000000 H
   H25         1.0     0.730470     0.825994     0.358663    Biso  1.000000 H
   H26         1.0     0.162256     0.116692     0.708202    Biso  1.000000 H
   H27         1.0     0.752929     0.894235     0.154573    Biso  1.000000 H
   H28         1.0     0.242833     0.126429     0.854518    Biso  1.000000 H
   H29         1.0     0.746543     0.667882     0.192171    Biso  1.000000 H
   H30         1.0     0.222004     0.282744     0.839561    Biso  1.000000 H
   H31         1.0     0.744534     0.628919     0.326955    Biso  1.000000 H
   H32         1.0     0.259735     0.351410     0.713476    Biso  1.000000 H
