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

_chemical_name_common                  'ita'
_cell_length_a                         17.985752
_cell_length_b                         17.985752
_cell_length_c                         17.985752
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           5818.162006
_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     0.134568     0.515780     0.017626    Biso  1.000000 Zr
   Zr2         1.0     0.862686     0.489459     0.983134    Biso  1.000000 Zr
   Zr3         1.0     0.360115     0.983818     0.002522    Biso  1.000000 Zr
   Zr4         1.0     0.636246     0.021248     0.999131    Biso  1.000000 Zr
   Zr5         1.0     0.361915     0.523051     0.491858    Biso  1.000000 Zr
   Zr6         1.0     0.636817     0.480201     0.509230    Biso  1.000000 Zr
   Zr7         1.0     0.134583     0.989144     0.475701    Biso  1.000000 Zr
   Zr8         1.0     0.864561     0.015583     0.524318    Biso  1.000000 Zr
   Zr9         1.0     0.006711     0.140156     0.509508    Biso  1.000000 Zr
   Zr10        1.0     0.992201     0.864324     0.490546    Biso  1.000000 Zr
   Zr11        1.0     0.006140     0.364277     0.986580    Biso  1.000000 Zr
   Zr12        1.0     0.990957     0.640857     0.013365    Biso  1.000000 Zr
   Zr13        1.0     0.485793     0.364517     0.506117    Biso  1.000000 Zr
   Zr14        1.0     0.512862     0.638269     0.495366    Biso  1.000000 Zr
   Zr15        1.0     0.487173     0.138388     0.980836    Biso  1.000000 Zr
   Zr16        1.0     0.509094     0.866400     0.021642    Biso  1.000000 Zr
   Zr17        1.0     0.496940     0.023406     0.140276    Biso  1.000000 Zr
   Zr18        1.0     0.499637     0.981064     0.861871    Biso  1.000000 Zr
   Zr19        1.0     0.975988     0.013677     0.360310    Biso  1.000000 Zr
   Zr20        1.0     0.023701     0.990323     0.639337    Biso  1.000000 Zr
   Zr21        1.0     0.506878     0.495181     0.359596    Biso  1.000000 Zr
   Zr22        1.0     0.491817     0.507933     0.641588    Biso  1.000000 Zr
   Zr23        1.0     0.982396     0.487446     0.139968    Biso  1.000000 Zr
   Zr24        1.0     0.015123     0.517530     0.860425    Biso  1.000000 Zr
   O1          1.0     0.203157     0.408356     0.013521    Biso  1.000000 O
   O2          1.0     0.794133     0.596531     0.987018    Biso  1.000000 O
   O3          1.0     0.288179     0.090540     0.986516    Biso  1.000000 O
   O4          1.0     0.708227     0.914151     0.015248    Biso  1.000000 O
   O5          1.0     0.288377     0.418020     0.491780    Biso  1.000000 O
   O6          1.0     0.710639     0.585891     0.509680    Biso  1.000000 O
   O7          1.0     0.202538     0.095259     0.471492    Biso  1.000000 O
   O8          1.0     0.796433     0.910417     0.528980    Biso  1.000000 O
   O9          1.0     0.994475     0.207089     0.405593    Biso  1.000000 O
   O10         1.0     0.004737     0.796704     0.593801    Biso  1.000000 O
   O11         1.0     0.996911     0.293821     0.091237    Biso  1.000000 O
   O12         1.0     0.000302     0.711271     0.908480    Biso  1.000000 O
   O13         1.0     0.484150     0.300998     0.399058    Biso  1.000000 O
   O14         1.0     0.514549     0.702433     0.602577    Biso  1.000000 O
   O15         1.0     0.483395     0.214593     0.081402    Biso  1.000000 O
   O16         1.0     0.513061     0.789367     0.920990    Biso  1.000000 O
   O17         1.0     0.387711     0.016974     0.198463    Biso  1.000000 O
   O18         1.0     0.608535     0.981105     0.804458    Biso  1.000000 O
   O19         1.0     0.075516     0.008993     0.283226    Biso  1.000000 O
   O20         1.0     0.925426     0.993799     0.716491    Biso  1.000000 O
   O21         1.0     0.401186     0.506145     0.295553    Biso  1.000000 O
   O22         1.0     0.597334     0.496807     0.705641    Biso  1.000000 O
   O23         1.0     0.086243     0.492943     0.211920    Biso  1.000000 O
   O24         1.0     0.911911     0.511456     0.788952    Biso  1.000000 O
   O25         1.0     0.182966     0.625949     0.036251    Biso  1.000000 O
   O26         1.0     0.814293     0.379049     0.964727    Biso  1.000000 O
   O27         1.0     0.312414     0.872123     0.017349    Biso  1.000000 O
   O28         1.0     0.684685     0.132483     0.983773    Biso  1.000000 O
   O29         1.0     0.316878     0.636578     0.482973    Biso  1.000000 O
   O30         1.0     0.681997     0.367032     0.517613    Biso  1.000000 O
   O31         1.0     0.184622     0.879533     0.458281    Biso  1.000000 O
   O32         1.0     0.814642     0.124676     0.539838    Biso  1.000000 O
   O33         1.0     0.025910     0.189637     0.622545    Biso  1.000000 O
   O34         1.0     0.972349     0.813707     0.378607    Biso  1.000000 O
   O35         1.0     0.023263     0.317480     0.869832    Biso  1.000000 O
   O36         1.0     0.975573     0.687771     0.129604    Biso  1.000000 O
   O37         1.0     0.473442     0.310498     0.618789    Biso  1.000000 O
   O38         1.0     0.525483     0.691852     0.383271    Biso  1.000000 O
   O39         1.0     0.480577     0.179708     0.862536    Biso  1.000000 O
   O40         1.0     0.516301     0.824329     0.140332    Biso  1.000000 O
   O41         1.0     0.606571     0.045351     0.196994    Biso  1.000000 O
   O42         1.0     0.390883     0.960135     0.804632    Biso  1.000000 O
   O43         1.0     0.857654     0.025652     0.321563    Biso  1.000000 O
   O44         1.0     0.142036     0.977295     0.677584    Biso  1.000000 O
   O45         1.0     0.620350     0.480094     0.308839    Biso  1.000000 O
   O46         1.0     0.378267     0.523462     0.692224    Biso  1.000000 O
   O47         1.0     0.864046     0.473014     0.184202    Biso  1.000000 O
   O48         1.0     0.134264     0.532842     0.816444    Biso  1.000000 O
   O49         1.0     0.181750     0.510346     0.131927    Biso  1.000000 O
   O50         1.0     0.816076     0.494312     0.868654    Biso  1.000000 O
   O51         1.0     0.299485     0.992707     0.111364    Biso  1.000000 O
   O52         1.0     0.696884     0.011885     0.889734    Biso  1.000000 O
   O53         1.0     0.307814     0.524432     0.378719    Biso  1.000000 O
   O54         1.0     0.690609     0.478858     0.622267    Biso  1.000000 O
   O55         1.0     0.174922     0.992542     0.358639    Biso  1.000000 O
   O56         1.0     0.825456     0.014974     0.642416    Biso  1.000000 O
   O57         1.0     0.124241     0.191974     0.496639    Biso  1.000000 O
   O58         1.0     0.873425     0.812612     0.504603    Biso  1.000000 O
   O59         1.0     0.122882     0.312106     0.993955    Biso  1.000000 O
   O60         1.0     0.874206     0.692931     0.006598    Biso  1.000000 O
   O61         1.0     0.366876     0.319277     0.503490    Biso  1.000000 O
   O62         1.0     0.631239     0.683539     0.497087    Biso  1.000000 O
   O63         1.0     0.369874     0.186251     0.973433    Biso  1.000000 O
   O64         1.0     0.626687     0.818359     0.028773    Biso  1.000000 O
   O65         1.0     0.484123     0.138768     0.181848    Biso  1.000000 O
   O66         1.0     0.511280     0.864972     0.820479    Biso  1.000000 O
   O67         1.0     0.976301     0.127355     0.309277    Biso  1.000000 O
   O68         1.0     0.023432     0.876380     0.690032    Biso  1.000000 O
   O69         1.0     0.497550     0.383529     0.304366    Biso  1.000000 O
   O70         1.0     0.501235     0.619701     0.697111    Biso  1.000000 O
   O71         1.0     0.984812     0.374027     0.187622    Biso  1.000000 O
   O72         1.0     0.012728     0.630613     0.812522    Biso  1.000000 O
   O73         1.0     0.207684     0.532013     0.919012    Biso  1.000000 O
   O74         1.0     0.790018     0.472911     0.082005    Biso  1.000000 O
   O75         1.0     0.300949     0.963538     0.892901    Biso  1.000000 O
   O76         1.0     0.695806     0.041125     0.108036    Biso  1.000000 O
   O77         1.0     0.296362     0.536588     0.597339    Biso  1.000000 O
   O78         1.0     0.702145     0.467137     0.403852    Biso  1.000000 O
   O79         1.0     0.211943     0.976635     0.572406    Biso  1.000000 O
   O80         1.0     0.787768     0.027076     0.426828    Biso  1.000000 O
   O81         1.0     0.906707     0.208476     0.527204    Biso  1.000000 O
   O82         1.0     0.092791     0.795514     0.472005    Biso  1.000000 O
   O83         1.0     0.907331     0.295450     0.969355    Biso  1.000000 O
   O84         1.0     0.090017     0.709607     0.029925    Biso  1.000000 O
   O85         1.0     0.581614     0.291512     0.514490    Biso  1.000000 O
   O86         1.0     0.417436     0.711884     0.486989    Biso  1.000000 O
   O87         1.0     0.584398     0.206894     0.969440    Biso  1.000000 O
   O88         1.0     0.412462     0.797542     0.032867    Biso  1.000000 O
   O89         1.0     0.510587     0.926110     0.214651    Biso  1.000000 O
   O90         1.0     0.489518     0.078632     0.787430    Biso  1.000000 O
   O91         1.0     0.959411     0.907973     0.296119    Biso  1.000000 O
   O92         1.0     0.042567     0.094673     0.703874    Biso  1.000000 O
   O93         1.0     0.521949     0.601004     0.296364    Biso  1.000000 O
   O94         1.0     0.476177     0.402781     0.704418    Biso  1.000000 O
   O95         1.0     0.966294     0.588627     0.207300    Biso  1.000000 O
   O96         1.0     0.034858     0.417415     0.793224    Biso  1.000000 O
   O97         1.0     0.062718     0.576261     0.947576    Biso  1.000000 O
   O98         1.0     0.934523     0.428715     0.052975    Biso  1.000000 O
   O99         1.0     0.443039     0.924519     0.945032    Biso  1.000000 O
   O100        1.0     0.553536     0.080355     0.057420    Biso  1.000000 O
   O101        1.0     0.441578     0.574098     0.561282    Biso  1.000000 O
   O102        1.0     0.556977     0.429036     0.439992    Biso  1.000000 O
   O103        1.0     0.066686     0.930244     0.550852    Biso  1.000000 O
   O104        1.0     0.932694     0.073693     0.448497    Biso  1.000000 O
   O105        1.0     0.956288     0.061625     0.579282    Biso  1.000000 O
   O106        1.0     0.043752     0.941836     0.419794    Biso  1.000000 O
   O107        1.0     0.951297     0.444176     0.921761    Biso  1.000000 O
   O108        1.0     0.046324     0.561347     0.079077    Biso  1.000000 O
   O109        1.0     0.549584     0.435762     0.573050    Biso  1.000000 O
   O110        1.0     0.448962     0.567477     0.428043    Biso  1.000000 O
   O111        1.0     0.553528     0.059205     0.926335    Biso  1.000000 O
   O112        1.0     0.442383     0.944922     0.076434    Biso  1.000000 O
   O113        1.0     0.580647     0.948041     0.083071    Biso  1.000000 O
   O114        1.0     0.415654     0.056793     0.918740    Biso  1.000000 O
   O115        1.0     0.907924     0.938548     0.436201    Biso  1.000000 O
   O116        1.0     0.091692     0.065636     0.563945    Biso  1.000000 O
   O117        1.0     0.586965     0.562223     0.429837    Biso  1.000000 O
   O118        1.0     0.411624     0.440728     0.571404    Biso  1.000000 O
   O119        1.0     0.909886     0.564040     0.070450    Biso  1.000000 O
   O120        1.0     0.087714     0.441012     0.929987    Biso  1.000000 O
   O121        1.0     0.070257     0.425675     0.074098    Biso  1.000000 O
   O122        1.0     0.926936     0.579579     0.926195    Biso  1.000000 O
   O123        1.0     0.414857     0.078589     0.062350    Biso  1.000000 O
   O124        1.0     0.581750     0.925699     0.939754    Biso  1.000000 O
   O125        1.0     0.419434     0.433643     0.426329    Biso  1.000000 O
   O126        1.0     0.579296     0.569613     0.575017    Biso  1.000000 O
   O127        1.0     0.067044     0.077516     0.420049    Biso  1.000000 O
   O128        1.0     0.932051     0.926696     0.580179    Biso  1.000000 O
   C1          1.0     0.158646     0.692213     0.032968    Biso  1.000000 C
   C2          1.0     0.838580     0.312782     0.967575    Biso  1.000000 C
   C3          1.0     0.342898     0.808317     0.024241    Biso  1.000000 C
   C4          1.0     0.654075     0.196308     0.977109    Biso  1.000000 C
   C5          1.0     0.347308     0.700738     0.485368    Biso  1.000000 C
   C6          1.0     0.651770     0.302781     0.514916    Biso  1.000000 C
   C7          1.0     0.161248     0.813388     0.467278    Biso  1.000000 C
   C8          1.0     0.838160     0.190737     0.530855    Biso  1.000000 C
   C9          1.0     0.034939     0.163457     0.687790    Biso  1.000000 C
   C10         1.0     0.971340     0.839987     0.312766    Biso  1.000000 C
   C11         1.0     0.034940     0.347446     0.806341    Biso  1.000000 C
   C12         1.0     0.977650     0.657656     0.194128    Biso  1.000000 C
   C13         1.0     0.479504     0.334364     0.685094    Biso  1.000000 C
   C14         1.0     0.517982     0.669023     0.316732    Biso  1.000000 C
   C15         1.0     0.490730     0.148834     0.799074    Biso  1.000000 C
   C16         1.0     0.509762     0.855716     0.203909    Biso  1.000000 C
   C17         1.0     0.674035     0.048238     0.175278    Biso  1.000000 C
   C18         1.0     0.323240     0.956783     0.825824    Biso  1.000000 C
   C19         1.0     0.795511     0.028354     0.356172    Biso  1.000000 C
   C20         1.0     0.204204     0.974675     0.643132    Biso  1.000000 C
   C21         1.0     0.684378     0.465253     0.334992    Biso  1.000000 C
   C22         1.0     0.314341     0.538742     0.666155    Biso  1.000000 C
   C23         1.0     0.800984     0.465408     0.152055    Biso  1.000000 C
   C24         1.0     0.197219     0.539602     0.848859    Biso  1.000000 C
   C25         1.0     0.212932     0.756331     0.033966    Biso  1.000000 C
   C26         1.0     0.784332     0.248513     0.967949    Biso  1.000000 C
   C27         1.0     0.294203     0.741262     0.020710    Biso  1.000000 C
   C28         1.0     0.702775     0.263541     0.979725    Biso  1.000000 C
   C29         1.0     0.296992     0.766918     0.487784    Biso  1.000000 C
   C30         1.0     0.702277     0.236934     0.510705    Biso  1.000000 C
   C31         1.0     0.216535     0.750050     0.471091    Biso  1.000000 C
   C32         1.0     0.783076     0.254086     0.525182    Biso  1.000000 C
   C33         1.0     0.034999     0.215789     0.754178    Biso  1.000000 C
   C34         1.0     0.985183     0.789157     0.246493    Biso  1.000000 C
   C35         1.0     0.052309     0.296841     0.742225    Biso  1.000000 C
   C36         1.0     0.995887     0.706932     0.258863    Biso  1.000000 C
   C37         1.0     0.489179     0.280486     0.749369    Biso  1.000000 C
   C38         1.0     0.503470     0.723960     0.254261    Biso  1.000000 C
   C39         1.0     0.504803     0.199522     0.734524    Biso  1.000000 C
   C40         1.0     0.500230     0.806136     0.270350    Biso  1.000000 C
   C41         1.0     0.734256     0.062689     0.232852    Biso  1.000000 C
   C42         1.0     0.263659     0.942048     0.767664    Biso  1.000000 C
   C43         1.0     0.725684     0.030087     0.309941    Biso  1.000000 C
   C44         1.0     0.273781     0.972092     0.689679    Biso  1.000000 C
   C45         1.0     0.747555     0.443352     0.282686    Biso  1.000000 C
   C46         1.0     0.251628     0.561792     0.718587    Biso  1.000000 C
   C47         1.0     0.734878     0.446759     0.199849    Biso  1.000000 C
   C48         1.0     0.263943     0.557124     0.801444    Biso  1.000000 C
   C49         1.0     0.188239     0.341360     0.994484    Biso  1.000000 C
   C50         1.0     0.808919     0.663531     0.006166    Biso  1.000000 C
   C51         1.0     0.304234     0.159141     0.976428    Biso  1.000000 C
   C52         1.0     0.692332     0.845519     0.025309    Biso  1.000000 C
   C53         1.0     0.302635     0.348296     0.494478    Biso  1.000000 C
   C54         1.0     0.695759     0.655441     0.507253    Biso  1.000000 C
   C55         1.0     0.187670     0.164693     0.477792    Biso  1.000000 C
   C56         1.0     0.809916     0.840674     0.521321    Biso  1.000000 C
   C57         1.0     0.976250     0.192455     0.338466    Biso  1.000000 C
   C58         1.0     0.023009     0.811287     0.661008    Biso  1.000000 C
   C59         1.0     0.981613     0.309329     0.158754    Biso  1.000000 C
   C60         1.0     0.016004     0.695424     0.841158    Biso  1.000000 C
   C61         1.0     0.499592     0.317639     0.331604    Biso  1.000000 C
   C62         1.0     0.499147     0.685625     0.670026    Biso  1.000000 C
   C63         1.0     0.491949     0.201942     0.150699    Biso  1.000000 C
   C64         1.0     0.504655     0.801702     0.851594    Biso  1.000000 C
   C65         1.0     0.323483     0.994079     0.178622    Biso  1.000000 C
   C66         1.0     0.675791     0.990508     0.825138    Biso  1.000000 C
   C67         1.0     0.143732     0.993399     0.295099    Biso  1.000000 C
   C68         1.0     0.856493     0.006813     0.705606    Biso  1.000000 C
   C69         1.0     0.334424     0.523658     0.312528    Biso  1.000000 C
   C70         1.0     0.664081     0.479424     0.688486    Biso  1.000000 C
   C71         1.0     0.153256     0.510772     0.196816    Biso  1.000000 C
   C72         1.0     0.844902     0.493529     0.803896    Biso  1.000000 C
   C73         1.0     0.250888     0.293827     0.966648    Biso  1.000000 C
   C74         1.0     0.746172     0.710862     0.034149    Biso  1.000000 C
   C75         1.0     0.237773     0.210887     0.966251    Biso  1.000000 C
   C76         1.0     0.758996     0.793850     0.034596    Biso  1.000000 C
   C77         1.0     0.235795     0.297012     0.488783    Biso  1.000000 C
   C78         1.0     0.761775     0.707539     0.515834    Biso  1.000000 C
   C79         1.0     0.248662     0.218866     0.461276    Biso  1.000000 C
   C80         1.0     0.746643     0.787907     0.534316    Biso  1.000000 C
   C81         1.0     0.952075     0.255719     0.289854    Biso  1.000000 C
   C82         1.0     0.046559     0.748061     0.709915    Biso  1.000000 C
   C83         1.0     0.956335     0.244035     0.206794    Biso  1.000000 C
   C84         1.0     0.042027     0.760255     0.792914    Biso  1.000000 C
   C85         1.0     0.522975     0.256342     0.280503    Biso  1.000000 C
   C86         1.0     0.475533     0.746786     0.721339    Biso  1.000000 C
   C87         1.0     0.513457     0.268910     0.198088    Biso  1.000000 C
   C88         1.0     0.485302     0.734243     0.803814    Biso  1.000000 C
   C89         1.0     0.272605     0.964789     0.237672    Biso  1.000000 C
   C90         1.0     0.734975     0.971468     0.769724    Biso  1.000000 C
   C91         1.0     0.189891     0.973806     0.226425    Biso  1.000000 C
   C92         1.0     0.807239     0.013911     0.774062    Biso  1.000000 C
   C93         1.0     0.283129     0.546227     0.250694    Biso  1.000000 C
   C94         1.0     0.715566     0.456868     0.750063    Biso  1.000000 C
   C95         1.0     0.200672     0.535524     0.262933    Biso  1.000000 C
   C96         1.0     0.797861     0.468436     0.737725    Biso  1.000000 C
   C97         1.0     0.327141     0.676705     0.002712    Biso  1.000000 C
   C98         1.0     0.669465     0.328479     0.995582    Biso  1.000000 C
   C99         1.0     0.326752     0.832333     0.508070    Biso  1.000000 C
   C100        1.0     0.672331     0.171482     0.490786    Biso  1.000000 C
   C101        1.0     0.084866     0.326440     0.681920    Biso  1.000000 C
   C102        1.0     0.025520     0.674874     0.319501    Biso  1.000000 C
   C103        1.0     0.534587     0.170666     0.672437    Biso  1.000000 C
   C104        1.0     0.485922     0.838070     0.336347    Biso  1.000000 C
   C105        1.0     0.664292    -0.000031     0.339950    Biso  1.000000 C
   C106        1.0     0.336231     0.999313     0.659050    Biso  1.000000 C
   C107        1.0     0.669748     0.432429     0.166208    Biso  1.000000 C
   C108        1.0     0.329351     0.569204     0.835442    Biso  1.000000 C
   C109        1.0     0.310322     0.328968     0.938075    Biso  1.000000 C
   C110        1.0     0.686917     0.675480     0.062795    Biso  1.000000 C
   C111        1.0     0.306800     0.195324     0.420772    Biso  1.000000 C
   C112        1.0     0.683789     0.815465     0.563841    Biso  1.000000 C
   C113        1.0     0.924028     0.316385     0.323178    Biso  1.000000 C
   C114        1.0     0.074455     0.687125     0.676966    Biso  1.000000 C
   C115        1.0     0.556122     0.196811     0.310994    Biso  1.000000 C
   C116        1.0     0.441669     0.805957     0.690912    Biso  1.000000 C
   C117        1.0     0.303887     0.927263     0.294095    Biso  1.000000 C
   C118        1.0     0.721374     0.914787     0.723303    Biso  1.000000 C
   C119        1.0     0.313565     0.579301     0.191084    Biso  1.000000 C
   C120        1.0     0.685504     0.423155     0.809486    Biso  1.000000 C
   H1          1.0     0.206244     0.784234     0.088270    Biso  1.000000 H
   H2          1.0     0.804234     0.208104     0.009399    Biso  1.000000 H
   H3          1.0     0.194975     0.709262     0.511260    Biso  1.000000 H
   H4          1.0     0.804230     0.292797     0.482756    Biso  1.000000 H
   H5          1.0     0.072176     0.191951     0.796511    Biso  1.000000 H
   H6          1.0     0.033886     0.812749     0.217533    Biso  1.000000 H
   H7          1.0     0.438740     0.285583     0.783774    Biso  1.000000 H
   H8          1.0     0.451003     0.705953     0.227954    Biso  1.000000 H
   H9          1.0     0.738238     0.123881     0.238229    Biso  1.000000 H
   H10         1.0     0.210092     0.960965     0.789873    Biso  1.000000 H
   H11         1.0     0.763613     0.386519     0.299456    Biso  1.000000 H
   H12         1.0     0.202191     0.529406     0.703130    Biso  1.000000 H
   H13         1.0     0.211173     0.193855     0.913609    Biso  1.000000 H
   H14         1.0     0.799863     0.809026     0.991820    Biso  1.000000 H
   H15         1.0     0.193184     0.325160     0.455150    Biso  1.000000 H
   H16         1.0     0.793726     0.704506     0.463579    Biso  1.000000 H
   H17         1.0     0.901327     0.228276     0.184514    Biso  1.000000 H
   H18         1.0     0.006895     0.808532     0.805490    Biso  1.000000 H
   H19         1.0     0.565211     0.290539     0.173233    Biso  1.000000 H
   H20         1.0     0.434225     0.710771     0.828382    Biso  1.000000 H
   H21         1.0     0.165032     0.922261     0.204270    Biso  1.000000 H
   H22         1.0     0.839051     0.997551     0.823554    Biso  1.000000 H
   H23         1.0     0.174808     0.587821     0.282070    Biso  1.000000 H
   H24         1.0     0.824354     0.416609     0.718229    Biso  1.000000 H
   H25         1.0     0.295885     0.625606     0.996144    Biso  1.000000 H
   H26         1.0     0.609420     0.329145     0.003491    Biso  1.000000 H
   H27         1.0     0.386282     0.834853     0.518843    Biso  1.000000 H
   H28         1.0     0.705110     0.121438     0.482922    Biso  1.000000 H
   H29         1.0     0.612522     0.168630     0.481749    Biso  1.000000 H
   H30         1.0     0.099673     0.292820     0.633912    Biso  1.000000 H
   H31         1.0     0.031329     0.614564     0.321050    Biso  1.000000 H
   H32         1.0     0.545420     0.111102     0.669855    Biso  1.000000 H
   H33         1.0     0.475663     0.805586     0.386195    Biso  1.000000 H
   H34         1.0     0.484572     0.898527     0.339938    Biso  1.000000 H
   H35         1.0     0.612309     0.995915     0.309458    Biso  1.000000 H
   H36         1.0     0.334409     0.019798     0.602056    Biso  1.000000 H
   H37         1.0     0.665747     0.436572     0.106013    Biso  1.000000 H
   H38         1.0     0.379340     0.582775     0.804324    Biso  1.000000 H
   H39         1.0     0.356189     0.298728     0.912869    Biso  1.000000 H
   H40         1.0     0.684473     0.614977     0.060633    Biso  1.000000 H
   H41         1.0     0.308890     0.137569     0.402570    Biso  1.000000 H
   H42         1.0     0.635767     0.781062     0.576569    Biso  1.000000 H
   H43         1.0     0.680285     0.874858     0.575013    Biso  1.000000 H
   H44         1.0     0.902506     0.363079     0.291343    Biso  1.000000 H
   H45         1.0     0.075554     0.683759     0.616467    Biso  1.000000 H
   H46         1.0     0.578327     0.151447     0.277701    Biso  1.000000 H
   H47         1.0     0.436134     0.809208     0.630723    Biso  1.000000 H
   H48         1.0     0.364169     0.922851     0.297410    Biso  1.000000 H
   H49         1.0     0.270921     0.900279     0.337071    Biso  1.000000 H
   H50         1.0     0.762092     0.895822     0.682799    Biso  1.000000 H
   H51         1.0     0.667808     0.886519     0.724663    Biso  1.000000 H
   H52         1.0     0.279930     0.601040     0.145773    Biso  1.000000 H
   H53         1.0     0.625308     0.417160     0.813149    Biso  1.000000 H
   H54         1.0     0.294075     0.882597     0.514802    Biso  1.000000 H
   H55         1.0     0.419153     0.851125     0.724240    Biso  1.000000 H
   H56         1.0     0.333043     0.564056     0.895577    Biso  1.000000 H
   H57         1.0     0.548558     0.204863     0.624574    Biso  1.000000 H
   H58         1.0     0.700527     0.379804     0.001102    Biso  1.000000 H
   H59         1.0     0.719366     0.401395     0.854614    Biso  1.000000 H
   H60         1.0     0.620230     0.417930     0.197669    Biso  1.000000 H
   H61         1.0     0.561321     0.193428     0.371200    Biso  1.000000 H
   H62         1.0     0.313009     0.389460     0.940207    Biso  1.000000 H
   H63         1.0     0.373825     0.584681     0.187424    Biso  1.000000 H
   H64         1.0     0.387088     0.676123     0.993997    Biso  1.000000 H
   H65         1.0     0.388239     0.002681     0.689553    Biso  1.000000 H
   H66         1.0     0.666892     0.977958     0.396346    Biso  1.000000 H
   H67         1.0     0.352943     0.231483     0.405838    Biso  1.000000 H
   H68         1.0     0.923164     0.319540     0.383692    Biso  1.000000 H
   H69         1.0     0.095779     0.385992     0.680262    Biso  1.000000 H
   H70         1.0     0.095703     0.640486     0.709061    Biso  1.000000 H
   H71         1.0     0.043710     0.707153     0.367284    Biso  1.000000 H
   H72         1.0     0.641008     0.705539     0.088138    Biso  1.000000 H
   H73         1.0     0.192733     0.798263     0.994251    Biso  1.000000 H
   H74         1.0     0.791995     0.218626     0.914878    Biso  1.000000 H
   H75         1.0     0.213024     0.720237     0.417517    Biso  1.000000 H
   H76         1.0     0.787817     0.286419     0.577114    Biso  1.000000 H
   H77         1.0     0.979399     0.210644     0.779685    Biso  1.000000 H
   H78         1.0     0.939736     0.798505     0.206668    Biso  1.000000 H
   H79         1.0     0.532894     0.303904     0.785360    Biso  1.000000 H
   H80         1.0     0.787853     0.045464     0.209381    Biso  1.000000 H
   H81         1.0     0.258381     0.880816     0.764210    Biso  1.000000 H
   H82         1.0     0.796065     0.477343     0.297676    Biso  1.000000 H
   H83         1.0     0.237289     0.619269     0.702428    Biso  1.000000 H
   H84         1.0     0.196330     0.195949     0.008545    Biso  1.000000 H
   H85         1.0     0.211071     0.294710     0.544886    Biso  1.000000 H
   H86         1.0     0.799679     0.682548     0.556899    Biso  1.000000 H
   H87         1.0     0.991857     0.196150     0.193804    Biso  1.000000 H
   H88         1.0     0.097083     0.775602     0.815365    Biso  1.000000 H
   H89         1.0     0.472445     0.313036     0.187765    Biso  1.000000 H
   H90         1.0     0.527687     0.691394     0.814025    Biso  1.000000 H
   H91         1.0     0.178260     0.015569     0.183416    Biso  1.000000 H
   H92         1.0     0.794784     0.073586     0.780974    Biso  1.000000 H
   H93         1.0     0.190751     0.496434     0.308776    Biso  1.000000 H
   H94         1.0     0.807330     0.507808     0.692020    Biso  1.000000 H
   H95         1.0     0.545072     0.713148     0.210760    Biso  1.000000 H
   H96         1.0     0.786220     0.810863     0.086919    Biso  1.000000 H
   H97         1.0     0.374466     0.412650     0.598572    Biso  1.000000 H
   H98         1.0     0.613158     0.598783     0.605158    Biso  1.000000 H
   H99         1.0     0.623914     0.590909     0.403012    Biso  1.000000 H
   H100        1.0     0.385562     0.404377     0.396288    Biso  1.000000 H
   H101        1.0     0.126500     0.416356     0.901771    Biso  1.000000 H
   H102        1.0     0.380921     0.082652     0.886627    Biso  1.000000 H
   H103        1.0     0.131540     0.094517     0.585986    Biso  1.000000 H
   H104        1.0     0.096586     0.109534     0.388261    Biso  1.000000 H
   H105        1.0     0.103545     0.392755     0.100933    Biso  1.000000 H
   H106        1.0     0.379276     0.110887     0.086831    Biso  1.000000 H
   H107        1.0     0.869083     0.909074     0.413144    Biso  1.000000 H
   H108        1.0     0.615733     0.922642     0.115172    Biso  1.000000 H
   H109        1.0     0.873006     0.589950     0.100077    Biso  1.000000 H
   H110        1.0     0.893544     0.612404     0.899372    Biso  1.000000 H
   H111        1.0     0.616026     0.890783     0.917077    Biso  1.000000 H
   H112        1.0     0.903223     0.893162     0.611006    Biso  1.000000 H
