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

_chemical_name_common                  'ita'
_cell_length_a                         18.075682
_cell_length_b                         18.075682
_cell_length_c                         18.075682
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           5905.872329
_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     0.129228     0.512165     0.018529    Biso  1.000000 Zr
   Zr2         1.0     0.859914     0.490804     0.979973    Biso  1.000000 Zr
   Zr3         1.0     0.356213     0.978423     0.005801    Biso  1.000000 Zr
   Zr4         1.0     0.628869     0.017424     0.984825    Biso  1.000000 Zr
   Zr5         1.0     0.362689     0.520227     0.495502    Biso  1.000000 Zr
   Zr6         1.0     0.636361     0.480724     0.503231    Biso  1.000000 Zr
   Zr7         1.0     0.136120     0.990943     0.482632    Biso  1.000000 Zr
   Zr8         1.0     0.865044     0.013605     0.509270    Biso  1.000000 Zr
   Zr9         1.0     0.006987     0.138895     0.512807    Biso  1.000000 Zr
   Zr10        1.0     0.993931     0.865627     0.481765    Biso  1.000000 Zr
   Zr11        1.0    -0.000827     0.363661     0.992172    Biso  1.000000 Zr
   Zr12        1.0     0.988372     0.639830     0.004931    Biso  1.000000 Zr
   Zr13        1.0     0.488222     0.365031     0.511720    Biso  1.000000 Zr
   Zr14        1.0     0.511833     0.636004     0.487912    Biso  1.000000 Zr
   Zr15        1.0     0.480262     0.134631     0.981520    Biso  1.000000 Zr
   Zr16        1.0     0.505195     0.862065     0.013004    Biso  1.000000 Zr
   Zr17        1.0     0.503588     0.014073     0.134929    Biso  1.000000 Zr
   Zr18        1.0     0.481442     0.982885     0.857169    Biso  1.000000 Zr
   Zr19        1.0     0.989415     0.019550     0.358071    Biso  1.000000 Zr
   Zr20        1.0     0.011517     0.984662     0.634911    Biso  1.000000 Zr
   Zr21        1.0     0.500902     0.487344     0.358925    Biso  1.000000 Zr
   Zr22        1.0     0.496908     0.514155     0.640484    Biso  1.000000 Zr
   Zr23        1.0     0.975167     0.497350     0.137232    Biso  1.000000 Zr
   Zr24        1.0     0.014503     0.508468     0.861388    Biso  1.000000 Zr
   O1          1.0     0.196509     0.402125     0.029313    Biso  1.000000 O
   O2          1.0     0.791165     0.593114     0.972796    Biso  1.000000 O
   O3          1.0     0.281180     0.083055     0.000136    Biso  1.000000 O
   O4          1.0     0.700453     0.910695     0.985666    Biso  1.000000 O
   O5          1.0     0.290728     0.417190     0.509817    Biso  1.000000 O
   O6          1.0     0.709616     0.583722     0.488747    Biso  1.000000 O
   O7          1.0     0.206631     0.096334     0.490644    Biso  1.000000 O
   O8          1.0     0.794435     0.904430     0.501384    Biso  1.000000 O
   O9          1.0     0.004350     0.209029     0.414570    Biso  1.000000 O
   O10         1.0     0.001451     0.796703     0.581057    Biso  1.000000 O
   O11         1.0     0.989164     0.302382     0.099478    Biso  1.000000 O
   O12         1.0     0.996218     0.703929     0.900463    Biso  1.000000 O
   O13         1.0     0.477450     0.297915     0.409875    Biso  1.000000 O
   O14         1.0     0.523188     0.708179     0.588200    Biso  1.000000 O
   O15         1.0     0.474460     0.209676     0.085957    Biso  1.000000 O
   O16         1.0     0.510256     0.787508     0.910840    Biso  1.000000 O
   O17         1.0     0.397599     0.004737     0.200267    Biso  1.000000 O
   O18         1.0     0.585420     0.984715     0.794683    Biso  1.000000 O
   O19         1.0     0.091856     0.018614     0.290041    Biso  1.000000 O
   O20         1.0     0.904178     0.987594     0.705293    Biso  1.000000 O
   O21         1.0     0.395105     0.501359     0.297640    Biso  1.000000 O
   O22         1.0     0.603611     0.502053     0.701917    Biso  1.000000 O
   O23         1.0     0.078996     0.503589     0.217517    Biso  1.000000 O
   O24         1.0     0.909985     0.502897     0.785000    Biso  1.000000 O
   O25         1.0     0.181222     0.621049     0.031097    Biso  1.000000 O
   O26         1.0     0.806688     0.380301     0.968180    Biso  1.000000 O
   O27         1.0     0.311034     0.865725     0.018649    Biso  1.000000 O
   O28         1.0     0.678205     0.128712     0.969127    Biso  1.000000 O
   O29         1.0     0.314065     0.630900     0.481744    Biso  1.000000 O
   O30         1.0     0.683684     0.370463     0.514590    Biso  1.000000 O
   O31         1.0     0.187347     0.881236     0.467940    Biso  1.000000 O
   O32         1.0     0.812664     0.123057     0.520405    Biso  1.000000 O
   O33         1.0     0.020120     0.184387     0.631502    Biso  1.000000 O
   O34         1.0     0.982185     0.820281     0.363454    Biso  1.000000 O
   O35         1.0     0.011506     0.310028     0.878673    Biso  1.000000 O
   O36         1.0     0.978908     0.696809     0.117055    Biso  1.000000 O
   O37         1.0     0.487915     0.313192     0.625487    Biso  1.000000 O
   O38         1.0     0.510983     0.685735     0.376607    Biso  1.000000 O
   O39         1.0     0.470016     0.185096     0.868964    Biso  1.000000 O
   O40         1.0     0.513216     0.814901     0.128487    Biso  1.000000 O
   O41         1.0     0.619834     0.030181     0.182947    Biso  1.000000 O
   O42         1.0     0.368670     0.972557     0.808964    Biso  1.000000 O
   O43         1.0     0.872380     0.026284     0.306532    Biso  1.000000 O
   O44         1.0     0.125598     0.979713     0.683275    Biso  1.000000 O
   O45         1.0     0.612810     0.477410     0.304827    Biso  1.000000 O
   O46         1.0     0.383893     0.524270     0.693459    Biso  1.000000 O
   O47         1.0     0.860820     0.489188     0.180298    Biso  1.000000 O
   O48         1.0     0.132161     0.516840     0.818578    Biso  1.000000 O
   O49         1.0     0.175105     0.509539     0.137629    Biso  1.000000 O
   O50         1.0     0.814068     0.483875     0.863511    Biso  1.000000 O
   O51         1.0     0.305108     0.982210     0.118296    Biso  1.000000 O
   O52         1.0     0.681383     0.013003     0.870278    Biso  1.000000 O
   O53         1.0     0.302595     0.517246     0.380889    Biso  1.000000 O
   O54         1.0     0.694799     0.482220     0.617973    Biso  1.000000 O
   O55         1.0     0.186300     0.993818     0.368560    Biso  1.000000 O
   O56         1.0     0.814916     0.010930     0.621011    Biso  1.000000 O
   O57         1.0     0.126382     0.191233     0.513501    Biso  1.000000 O
   O58         1.0     0.877203     0.811530     0.479443    Biso  1.000000 O
   O59         1.0     0.113382     0.309129     0.008777    Biso  1.000000 O
   O60         1.0     0.868969     0.691490     0.990125    Biso  1.000000 O
   O61         1.0     0.370975     0.321168     0.523071    Biso  1.000000 O
   O62         1.0     0.630617     0.681112     0.477531    Biso  1.000000 O
   O63         1.0     0.355592     0.182664     0.979353    Biso  1.000000 O
   O64         1.0     0.621382     0.815650     0.009866    Biso  1.000000 O
   O65         1.0     0.489941     0.128357     0.179741    Biso  1.000000 O
   O66         1.0     0.491046     0.865408     0.814410    Biso  1.000000 O
   O67         1.0     0.984416     0.136426     0.313896    Biso  1.000000 O
   O68         1.0     0.013983     0.871413     0.681180    Biso  1.000000 O
   O69         1.0     0.487025     0.373626     0.310159    Biso  1.000000 O
   O70         1.0     0.513429     0.628751     0.685342    Biso  1.000000 O
   O71         1.0     0.976663     0.386537     0.191703    Biso  1.000000 O
   O72         1.0     0.017719     0.621059     0.809291    Biso  1.000000 O
   O73         1.0     0.202587     0.518388     0.922419    Biso  1.000000 O
   O74         1.0     0.786157     0.484742     0.079099    Biso  1.000000 O
   O75         1.0     0.288693     0.967137     0.904986    Biso  1.000000 O
   O76         1.0     0.699530     0.028840     0.086637    Biso  1.000000 O
   O77         1.0     0.298783     0.532965     0.602221    Biso  1.000000 O
   O78         1.0     0.697019     0.466673     0.397205    Biso  1.000000 O
   O79         1.0     0.205098     0.980444     0.585838    Biso  1.000000 O
   O80         1.0     0.796237     0.024727     0.406182    Biso  1.000000 O
   O81         1.0     0.906424     0.204562     0.528053    Biso  1.000000 O
   O82         1.0     0.094069     0.799052     0.463270    Biso  1.000000 O
   O83         1.0     0.898831     0.297343     0.978236    Biso  1.000000 O
   O84         1.0     0.089903     0.704495     0.016102    Biso  1.000000 O
   O85         1.0     0.585340     0.293619     0.513627    Biso  1.000000 O
   O86         1.0     0.414074     0.705499     0.484071    Biso  1.000000 O
   O87         1.0     0.577965     0.203090     0.970999    Biso  1.000000 O
   O88         1.0     0.411096     0.791491     0.023235    Biso  1.000000 O
   O89         1.0     0.518771     0.915719     0.202358    Biso  1.000000 O
   O90         1.0     0.474441     0.087344     0.790837    Biso  1.000000 O
   O91         1.0     0.981975     0.918044     0.285437    Biso  1.000000 O
   O92         1.0     0.016834     0.085350     0.707988    Biso  1.000000 O
   O93         1.0     0.511943     0.595290     0.290889    Biso  1.000000 O
   O94         1.0     0.484717     0.407656     0.707216    Biso  1.000000 O
   O95         1.0     0.966843     0.602691     0.199099    Biso  1.000000 O
   O96         1.0     0.023605     0.403172     0.795150    Biso  1.000000 O
   O97         1.0     0.060110     0.569330     0.945570    Biso  1.000000 O
   O98         1.0     0.927611     0.433348     0.054014    Biso  1.000000 O
   O99         1.0     0.431903     0.920396     0.940366    Biso  1.000000 O
   O100        1.0     0.554935     0.078238     0.053137    Biso  1.000000 O
   O101        1.0     0.441800     0.577911     0.561468    Biso  1.000000 O
   O102        1.0     0.555829     0.425289     0.438710    Biso  1.000000 O
   O103        1.0     0.064470     0.928867     0.549828    Biso  1.000000 O
   O104        1.0     0.938107     0.075123     0.443434    Biso  1.000000 O
   O105        1.0     0.949366     0.059177     0.574428    Biso  1.000000 O
   O106        1.0     0.051091     0.945412     0.418746    Biso  1.000000 O
   O107        1.0     0.946620     0.439764     0.922177    Biso  1.000000 O
   O108        1.0     0.043155     0.564231     0.076196    Biso  1.000000 O
   O109        1.0     0.552440     0.441012     0.571909    Biso  1.000000 O
   O110        1.0     0.446431     0.560354     0.428434    Biso  1.000000 O
   O111        1.0     0.540929     0.057674     0.922283    Biso  1.000000 O
   O112        1.0     0.445054     0.940749     0.071132    Biso  1.000000 O
   O113        1.0     0.582102     0.941107     0.070655    Biso  1.000000 O
   O114        1.0     0.405228     0.056722     0.922314    Biso  1.000000 O
   O115        1.0     0.915278     0.941104     0.422665    Biso  1.000000 O
   O116        1.0     0.085145     0.063443     0.569748    Biso  1.000000 O
   O117        1.0     0.581548     0.558284     0.422527    Biso  1.000000 O
   O118        1.0     0.417690     0.443897     0.576553    Biso  1.000000 O
   O119        1.0     0.905880     0.570925     0.063780    Biso  1.000000 O
   O120        1.0     0.083260     0.432862     0.934732    Biso  1.000000 O
   O121        1.0     0.062260     0.428865     0.078824    Biso  1.000000 O
   O122        1.0     0.925313     0.575404     0.918651    Biso  1.000000 O
   O123        1.0     0.414346     0.073147     0.064823    Biso  1.000000 O
   O124        1.0     0.568833     0.925449     0.927386    Biso  1.000000 O
   O125        1.0     0.416379     0.428733     0.432200    Biso  1.000000 O
   O126        1.0     0.582765     0.573021     0.567168    Biso  1.000000 O
   O127        1.0     0.075041     0.081138     0.425918    Biso  1.000000 O
   O128        1.0     0.926024     0.923407     0.567022    Biso  1.000000 O
   C1          1.0     0.158259     0.686819     0.019362    Biso  1.000000 C
   C2          1.0     0.830758     0.314014     0.970496    Biso  1.000000 C
   C3          1.0     0.341153     0.801652     0.017430    Biso  1.000000 C
   C4          1.0     0.648128     0.192811     0.970517    Biso  1.000000 C
   C5          1.0     0.344059     0.695217     0.482192    Biso  1.000000 C
   C6          1.0     0.655318     0.305363     0.509467    Biso  1.000000 C
   C7          1.0     0.162620     0.815229     0.465496    Biso  1.000000 C
   C8          1.0     0.837841     0.188604     0.520897    Biso  1.000000 C
   C9          1.0     0.011401     0.154288     0.695373    Biso  1.000000 C
   C10         1.0     0.990780     0.849745     0.299246    Biso  1.000000 C
   C11         1.0     0.008773     0.335648     0.813032    Biso  1.000000 C
   C12         1.0     0.983016     0.669709     0.182524    Biso  1.000000 C
   C13         1.0     0.493052     0.338702     0.690615    Biso  1.000000 C
   C14         1.0     0.503585     0.663320     0.310353    Biso  1.000000 C
   C15         1.0     0.483068     0.155971     0.804778    Biso  1.000000 C
   C16         1.0     0.512373     0.845627     0.192265    Biso  1.000000 C
   C17         1.0     0.684505     0.026006     0.156695    Biso  1.000000 C
   C18         1.0     0.303512     0.975641     0.836198    Biso  1.000000 C
   C19         1.0     0.807501     0.020667     0.336644    Biso  1.000000 C
   C20         1.0     0.190278     0.986843     0.655059    Biso  1.000000 C
   C21         1.0     0.679246     0.475327     0.329165    Biso  1.000000 C
   C22         1.0     0.317214     0.527952     0.670995    Biso  1.000000 C
   C23         1.0     0.797347     0.490918     0.148819    Biso  1.000000 C
   C24         1.0     0.194974     0.518174     0.851888    Biso  1.000000 C
   C25         1.0     0.211542     0.750112     0.008943    Biso  1.000000 C
   C26         1.0     0.778306     0.248665     0.962752    Biso  1.000000 C
   C27         1.0     0.293268     0.735383     0.006605    Biso  1.000000 C
   C28         1.0     0.696486     0.260083     0.974469    Biso  1.000000 C
   C29         1.0     0.295592     0.762093     0.482761    Biso  1.000000 C
   C30         1.0     0.705706     0.242018     0.496387    Biso  1.000000 C
   C31         1.0     0.215239     0.749830     0.464456    Biso  1.000000 C
   C32         1.0     0.786563     0.254821     0.513041    Biso  1.000000 C
   C33         1.0     0.996698     0.202052     0.763546    Biso  1.000000 C
   C34         1.0     0.011112     0.801283     0.233162    Biso  1.000000 C
   C35         1.0     0.984601     0.283952     0.752501    Biso  1.000000 C
   C36         1.0     0.010545     0.718632     0.244008    Biso  1.000000 C
   C37         1.0     0.509271     0.288183     0.756431    Biso  1.000000 C
   C38         1.0     0.483195     0.718284     0.250020    Biso  1.000000 C
   C39         1.0     0.510920     0.205508     0.744565    Biso  1.000000 C
   C40         1.0     0.504126     0.798771     0.260244    Biso  1.000000 C
   C41         1.0     0.752241     0.017949     0.205841    Biso  1.000000 C
   C42         1.0     0.237278     0.990707     0.787587    Biso  1.000000 C
   C43         1.0     0.742524     0.006290     0.287603    Biso  1.000000 C
   C44         1.0     0.251222     0.006058     0.707085    Biso  1.000000 C
   C45         1.0     0.744429     0.484388     0.278004    Biso  1.000000 C
   C46         1.0     0.252495     0.524418     0.723799    Biso  1.000000 C
   C47         1.0     0.732155     0.501705     0.197892    Biso  1.000000 C
   C48         1.0     0.263917     0.520304     0.806128    Biso  1.000000 C
   C49         1.0     0.178195     0.333336     0.022748    Biso  1.000000 C
   C50         1.0     0.805246     0.663011     0.978018    Biso  1.000000 C
   C51         1.0     0.292600     0.152618     0.993314    Biso  1.000000 C
   C52         1.0     0.685797     0.841991     0.997766    Biso  1.000000 C
   C53         1.0     0.305857     0.348071     0.516639    Biso  1.000000 C
   C54         1.0     0.695448     0.653115     0.482195    Biso  1.000000 C
   C55         1.0     0.190591     0.165403     0.498630    Biso  1.000000 C
   C56         1.0     0.812682     0.835779     0.496028    Biso  1.000000 C
   C57         1.0     0.988915     0.199575     0.346266    Biso  1.000000 C
   C58         1.0     0.010835     0.807629     0.650542    Biso  1.000000 C
   C59         1.0     0.979159     0.320253     0.167136    Biso  1.000000 C
   C60         1.0     0.007146     0.687392     0.832650    Biso  1.000000 C
   C61         1.0     0.479788     0.309482     0.339769    Biso  1.000000 C
   C62         1.0     0.523390     0.693209     0.657976    Biso  1.000000 C
   C63         1.0     0.480416     0.193487     0.155371    Biso  1.000000 C
   C64         1.0     0.506195     0.802334     0.841344    Biso  1.000000 C
   C65         1.0     0.332342     0.983023     0.184427    Biso  1.000000 C
   C66         1.0     0.653737     0.000069     0.806218    Biso  1.000000 C
   C67         1.0     0.157437     0.996390     0.304240    Biso  1.000000 C
   C68         1.0     0.837835     0.004367     0.687297    Biso  1.000000 C
   C69         1.0     0.329238     0.519881     0.314473    Biso  1.000000 C
   C70         1.0     0.668293     0.479592     0.684141    Biso  1.000000 C
   C71         1.0     0.146951     0.516572     0.201795    Biso  1.000000 C
   C72         1.0     0.843719     0.481901     0.800128    Biso  1.000000 C
   C73         1.0     0.237613     0.276965     0.034415    Biso  1.000000 C
   C74         1.0     0.740984     0.713866     0.968672    Biso  1.000000 C
   C75         1.0     0.225127     0.202128     0.999905    Biso  1.000000 C
   C76         1.0     0.751106     0.790225    -0.000730    Biso  1.000000 C
   C77         1.0     0.241141     0.295438     0.521333    Biso  1.000000 C
   C78         1.0     0.761297     0.704766     0.475156    Biso  1.000000 C
   C79         1.0     0.252288     0.219758     0.488345    Biso  1.000000 C
   C80         1.0     0.753811     0.779495     0.511442    Biso  1.000000 C
   C81         1.0     0.973317     0.267085     0.301317    Biso  1.000000 C
   C82         1.0     0.020385     0.740531     0.698355    Biso  1.000000 C
   C83         1.0     0.969598     0.255471     0.219102    Biso  1.000000 C
   C84         1.0     0.007863     0.752268     0.779831    Biso  1.000000 C
   C85         1.0     0.473478     0.243412     0.290384    Biso  1.000000 C
   C86         1.0     0.536558     0.754526     0.711114    Biso  1.000000 C
   C87         1.0     0.475891     0.258168     0.208411    Biso  1.000000 C
   C88         1.0     0.521215     0.737317     0.790780    Biso  1.000000 C
   C89         1.0     0.282831     0.957460     0.245471    Biso  1.000000 C
   C90         1.0     0.703371     0.999131     0.739679    Biso  1.000000 C
   C91         1.0     0.200710     0.969576     0.237038    Biso  1.000000 C
   C92         1.0     0.783677     0.020727     0.750002    Biso  1.000000 C
   C93         1.0     0.278920     0.545450     0.253449    Biso  1.000000 C
   C94         1.0     0.716398     0.448792     0.743888    Biso  1.000000 C
   C95         1.0     0.196104     0.542476     0.266071    Biso  1.000000 C
   C96         1.0     0.799166     0.452626     0.734260    Biso  1.000000 C
   C97         1.0     0.326452     0.670767     0.990539    Biso  1.000000 C
   C98         1.0     0.662684     0.323595     0.992977    Biso  1.000000 C
   C99         1.0     0.327763     0.825666     0.503854    Biso  1.000000 C
   C100        1.0     0.676711     0.181071     0.465025    Biso  1.000000 C
   C101        1.0     0.947474     0.312730     0.694934    Biso  1.000000 C
   C102        1.0     0.038335     0.685434     0.304451    Biso  1.000000 C
   C103        1.0     0.542304     0.172891     0.685685    Biso  1.000000 C
   C104        1.0     0.515365     0.833079     0.325190    Biso  1.000000 C
   C105        1.0     0.681428     0.978144     0.318857    Biso  1.000000 C
   C106        1.0     0.310654     0.041503     0.680311    Biso  1.000000 C
   C107        1.0     0.671952     0.532603     0.167876    Biso  1.000000 C
   C108        1.0     0.329070     0.520989     0.841844    Biso  1.000000 C
   C109        1.0     0.294867     0.293766     0.078400    Biso  1.000000 C
   C110        1.0     0.682982     0.690681     0.928927    Biso  1.000000 C
   C111        1.0     0.309893     0.198833     0.446655    Biso  1.000000 C
   C112        1.0     0.703102     0.796345     0.562675    Biso  1.000000 C
   C113        1.0     0.958091     0.329605     0.338413    Biso  1.000000 C
   C114        1.0     0.041878     0.678402     0.663757    Biso  1.000000 C
   C115        1.0     0.464137     0.177572     0.323432    Biso  1.000000 C
   C116        1.0     0.565853     0.818322     0.687318    Biso  1.000000 C
   C117        1.0     0.314213     0.919777     0.301311    Biso  1.000000 C
   C118        1.0     0.672013     0.978941     0.675185    Biso  1.000000 C
   C119        1.0     0.310773     0.574065     0.192585    Biso  1.000000 C
   C120        1.0     0.683451     0.415317     0.801476    Biso  1.000000 C
   H1          1.0     0.198363     0.791121     0.052387    Biso  1.000000 H
   H2          1.0     0.798903     0.205412     0.000313    Biso  1.000000 H
   H3          1.0     0.191402     0.707724     0.501480    Biso  1.000000 H
   H4          1.0     0.811667     0.290457     0.470336    Biso  1.000000 H
   H5          1.0     0.043010     0.191957     0.801741    Biso  1.000000 H
   H6          1.0     0.066086     0.820868     0.214976    Biso  1.000000 H
   H7          1.0     0.470336     0.302918     0.800611    Biso  1.000000 H
   H8          1.0     0.422260     0.713951     0.245178    Biso  1.000000 H
   H9          1.0     0.786528     0.066994     0.195170    Biso  1.000000 H
   H10         1.0     0.207920     0.037435     0.813569    Biso  1.000000 H
   H11         1.0     0.778282     0.434230     0.284414    Biso  1.000000 H
   H12         1.0     0.218339     0.477311     0.705472    Biso  1.000000 H
   H13         1.0     0.201978     0.208665     0.943889    Biso  1.000000 H
   H14         1.0     0.796437     0.817168     0.969438    Biso  1.000000 H
   H15         1.0     0.192136     0.322483     0.497966    Biso  1.000000 H
   H16         1.0     0.771023     0.711917     0.415392    Biso  1.000000 H
   H17         1.0     0.916418     0.229861     0.203767    Biso  1.000000 H
   H18         1.0     0.955165     0.781609     0.788459    Biso  1.000000 H
   H19         1.0     0.522521     0.295051     0.195247    Biso  1.000000 H
   H20         1.0     0.474054     0.699100     0.795992    Biso  1.000000 H
   H21         1.0     0.172941     0.918036     0.219514    Biso  1.000000 H
   H22         1.0     0.805509     0.996666     0.801147    Biso  1.000000 H
   H23         1.0     0.174785     0.597908     0.280446    Biso  1.000000 H
   H24         1.0     0.821895     0.396918     0.723886    Biso  1.000000 H
   H25         1.0     0.294733     0.621219     0.978366    Biso  1.000000 H
   H26         1.0     0.603188     0.323442     0.001362    Biso  1.000000 H
   H27         1.0     0.386425     0.825623     0.516660    Biso  1.000000 H
   H28         1.0     0.710241     0.133687     0.449770    Biso  1.000000 H
   H29         1.0     0.618221     0.178999     0.451586    Biso  1.000000 H
   H30         1.0     0.925950     0.278727     0.650145    Biso  1.000000 H
   H31         1.0     0.035999     0.625599     0.309386    Biso  1.000000 H
   H32         1.0     0.543804     0.112938     0.681227    Biso  1.000000 H
   H33         1.0     0.510429     0.804615     0.377655    Biso  1.000000 H
   H34         1.0     0.530473     0.891156     0.325547    Biso  1.000000 H
   H35         1.0     0.633029     0.963907     0.286460    Biso  1.000000 H
   H36         1.0     0.314900     0.052548     0.621472    Biso  1.000000 H
   H37         1.0     0.671958     0.546765     0.109502    Biso  1.000000 H
   H38         1.0     0.381353     0.524590     0.812687    Biso  1.000000 H
   H39         1.0     0.338011     0.254164     0.091301    Biso  1.000000 H
   H40         1.0     0.682945     0.636302     0.903578    Biso  1.000000 H
   H41         1.0     0.310905     0.143307     0.423930    Biso  1.000000 H
   H42         1.0     0.661323     0.756927     0.579990    Biso  1.000000 H
   H43         1.0     0.704480     0.850024     0.589796    Biso  1.000000 H
   H44         1.0     0.941941     0.379919     0.310111    Biso  1.000000 H
   H45         1.0     0.050382     0.679714     0.604236    Biso  1.000000 H
   H46         1.0     0.460121     0.126290     0.292815    Biso  1.000000 H
   H47         1.0     0.578083     0.827199     0.629326    Biso  1.000000 H
   H48         1.0     0.373845     0.912519     0.304539    Biso  1.000000 H
   H49         1.0     0.280977     0.895912     0.345524    Biso  1.000000 H
   H50         1.0     0.704080     0.975771     0.624772    Biso  1.000000 H
   H51         1.0     0.613289     0.966660     0.672764    Biso  1.000000 H
   H52         1.0     0.278285     0.597192     0.147451    Biso  1.000000 H
   H53         1.0     0.623451     0.413596     0.806374    Biso  1.000000 H
   H54         1.0     0.297252     0.876930     0.509591    Biso  1.000000 H
   H55         1.0     0.577239     0.863601     0.725066    Biso  1.000000 H
   H56         1.0     0.330219     0.518312     0.901873    Biso  1.000000 H
   H57         1.0     0.567827     0.204788     0.641520    Biso  1.000000 H
   H58         1.0     0.693093     0.374772     0.000405    Biso  1.000000 H
   H59         1.0     0.715552     0.388795     0.844994    Biso  1.000000 H
   H60         1.0     0.622495     0.543854     0.199790    Biso  1.000000 H
   H61         1.0     0.461930     0.174937     0.383306    Biso  1.000000 H
   H62         1.0     0.299321     0.347839     0.104277    Biso  1.000000 H
   H63         1.0     0.370869     0.574813     0.187524    Biso  1.000000 H
   H64         1.0     0.386513     0.667154     0.988537    Biso  1.000000 H
   H65         1.0     0.355898     0.059991     0.715140    Biso  1.000000 H
   H66         1.0     0.679495     0.968279     0.378022    Biso  1.000000 H
   H67         1.0     0.355665     0.235356     0.433595    Biso  1.000000 H
   H68         1.0     0.960396     0.329166     0.398557    Biso  1.000000 H
   H69         1.0     0.938703     0.372150     0.691339    Biso  1.000000 H
   H70         1.0     0.051927     0.627065     0.693153    Biso  1.000000 H
   H71         1.0     0.062209     0.716707     0.350039    Biso  1.000000 H
   H72         1.0     0.635729     0.726212     0.918624    Biso  1.000000 H
   H73         1.0     0.193833     0.778755     0.957994    Biso  1.000000 H
   H74         1.0     0.788233     0.225339     0.907141    Biso  1.000000 H
   H75         1.0     0.210362     0.724514     0.409051    Biso  1.000000 H
   H76         1.0     0.792538     0.287545     0.564155    Biso  1.000000 H
   H77         1.0     0.949152     0.176783     0.792193    Biso  1.000000 H
   H78         1.0     0.975034     0.817371     0.187145    Biso  1.000000 H
   H79         1.0     0.562890     0.307386     0.778402    Biso  1.000000 H
   H80         1.0     0.784556     0.972047     0.182053    Biso  1.000000 H
   H81         1.0     0.198714     0.944178     0.794706    Biso  1.000000 H
   H82         1.0     0.779774     0.527800     0.302373    Biso  1.000000 H
   H83         1.0     0.217276     0.572106     0.710338    Biso  1.000000 H
   H84         1.0     0.181670     0.171984     0.029823    Biso  1.000000 H
   H85         1.0     0.228108     0.289224     0.580592    Biso  1.000000 H
   H86         1.0     0.810901     0.676297     0.495662    Biso  1.000000 H
   H87         1.0     0.009808     0.213299     0.202324    Biso  1.000000 H
   H88         1.0     0.048566     0.792135     0.801622    Biso  1.000000 H
   H89         1.0     0.426439     0.290345     0.192977    Biso  1.000000 H
   H90         1.0     0.568584     0.706581     0.813803    Biso  1.000000 H
   H91         1.0     0.188259     0.007626     0.191461    Biso  1.000000 H
   H92         1.0     0.786336     0.081289     0.758379    Biso  1.000000 H
   H93         1.0     0.183161     0.508390     0.314656    Biso  1.000000 H
   H94         1.0     0.814265     0.484956     0.685162    Biso  1.000000 H
   H95         1.0     0.503379     0.697022     0.196843    Biso  1.000000 H
   H96         1.0     0.768632     0.786785     0.057425    Biso  1.000000 H
   H97         1.0     0.381512     0.415581     0.604281    Biso  1.000000 H
   H98         1.0     0.619367     0.605165     0.591402    Biso  1.000000 H
   H99         1.0     0.618580     0.587631     0.397035    Biso  1.000000 H
   H100        1.0     0.380659     0.394982     0.408462    Biso  1.000000 H
   H101        1.0     0.120280     0.401765     0.906986    Biso  1.000000 H
   H102        1.0     0.369780     0.082704     0.889917    Biso  1.000000 H
   H103        1.0     0.122044     0.091710     0.596709    Biso  1.000000 H
   H104        1.0     0.105798     0.114309     0.393804    Biso  1.000000 H
   H105        1.0     0.089563     0.394616     0.109882    Biso  1.000000 H
   H106        1.0     0.379819     0.103242     0.093376    Biso  1.000000 H
   H107        1.0     0.878166     0.912659     0.396158    Biso  1.000000 H
   H108        1.0     0.618170     0.913907     0.101650    Biso  1.000000 H
   H109        1.0     0.869402     0.602964     0.090324    Biso  1.000000 H
   H110        1.0     0.896571     0.608689     0.886187    Biso  1.000000 H
   H111        1.0     0.603926     0.894588     0.901025    Biso  1.000000 H
   H112        1.0     0.895796     0.887934     0.598944    Biso  1.000000 H
   O1          1.0     0.341057     0.354031     0.745717    Biso  1.000000 O
   O2          1.0     0.659689     0.664445     0.282153    Biso  1.000000 O
   O3          1.0     0.171643     0.217766     0.674111    Biso  1.000000 O
   O4          1.0     0.834725     0.797240     0.312466    Biso  1.000000 O
   O5          1.0     0.177320     0.346806     0.856858    Biso  1.000000 O
   O6          1.0     0.811770     0.664199     0.143162    Biso  1.000000 O
   O7          1.0     0.313083     0.151599     0.830132    Biso  1.000000 O
   O8          1.0     0.682711     0.852911     0.163349    Biso  1.000000 O
   O9          1.0     0.812057     0.880172     0.871681    Biso  1.000000 O
   O10         1.0     0.270361     0.130050     0.149611    Biso  1.000000 O
   O11         1.0     0.713484     0.633724     0.637831    Biso  1.000000 O
   O12         1.0     0.295114     0.364609     0.361962    Biso  1.000000 O
   O13         1.0     0.857669     0.653345     0.794478    Biso  1.000000 O
   O14         1.0     0.176016     0.341011     0.205021    Biso  1.000000 O
   O15         1.0     0.857177     0.828427     0.650327    Biso  1.000000 O
   O16         1.0     0.154027     0.169458     0.332263    Biso  1.000000 O
   O17         1.0     0.811067     0.173308     0.285486    Biso  1.000000 O
   O18         1.0     0.195869     0.828727     0.655231    Biso  1.000000 O
   O19         1.0     0.645270     0.188082     0.142139    Biso  1.000000 O
   O20         1.0     0.327279     0.820329     0.828582    Biso  1.000000 O
   O21         1.0     0.796976     0.331408     0.152125    Biso  1.000000 O
   O22         1.0     0.185848     0.673017     0.794110    Biso  1.000000 O
   O23         1.0     0.650498     0.313906     0.314307    Biso  1.000000 O
   O24         1.0     0.354321     0.690642     0.656653    Biso  1.000000 O
   O25         1.0     0.799365     0.315306     0.305460    Biso  1.000000 O
   O26         1.0     0.203937     0.686285     0.642023    Biso  1.000000 O
   O27         1.0     0.655427     0.173184     0.297040    Biso  1.000000 O
   O28         1.0     0.346338     0.837328     0.677993    Biso  1.000000 O
   O29         1.0     0.643936     0.339718     0.165349    Biso  1.000000 O
   O30         1.0     0.343370     0.680647     0.807938    Biso  1.000000 O
   O31         1.0     0.795442     0.189376     0.135020    Biso  1.000000 O
   O32         1.0     0.178060     0.816509     0.807465    Biso  1.000000 O
   O33         1.0     0.325982     0.333560     0.891210    Biso  1.000000 O
   O34         1.0     0.658277     0.699243     0.140862    Biso  1.000000 O
   O35         1.0     0.326748     0.207295     0.695435    Biso  1.000000 O
   O36         1.0     0.681987     0.817143     0.309558    Biso  1.000000 O
   O37         1.0     0.168319     0.197280     0.818370    Biso  1.000000 O
   O38         1.0     0.837149     0.814034     0.161379    Biso  1.000000 O
   O39         1.0     0.193754     0.363024     0.710717    Biso  1.000000 O
   O40         1.0     0.808733     0.647371     0.289309    Biso  1.000000 O
   O41         1.0     0.943952     0.918304     0.840032    Biso  1.000000 O
   O42         1.0     0.141151     0.192235     0.183614    Biso  1.000000 O
   O43         1.0     0.746981     0.830733     0.754885    Biso  1.000000 O
   O44         1.0     0.294628     0.135995     0.289774    Biso  1.000000 O
   O45         1.0     0.854215     0.676872     0.639017    Biso  1.000000 O
   O46         1.0     0.157895     0.315576     0.355764    Biso  1.000000 O
   O47         1.0     0.714191     0.684126     0.777071    Biso  1.000000 O
   O48         1.0     0.304740     0.284389     0.241182    Biso  1.000000 O
   O49         1.0     0.481709     0.123032     0.509899    Biso  1.000000 O
   O50         1.0     0.517857     0.865352     0.521211    Biso  1.000000 O
   O51         1.0     0.098572     0.405241     0.452335    Biso  1.000000 O
   O52         1.0     0.937676     0.574585     0.564528    Biso  1.000000 O
   O53         1.0     0.051445     0.103432     0.097085    Biso  1.000000 O
   O54         1.0     0.916492     0.871306     0.037495    Biso  1.000000 O
   O55         1.0     0.463797     0.359791     0.034320    Biso  1.000000 O
   O56         1.0     0.518678     0.627016     0.946301    Biso  1.000000 O
   O57         1.0     0.438466     0.940297     0.615331    Biso  1.000000 O
   O58         1.0     0.541671     0.045209     0.405518    Biso  1.000000 O
   O59         1.0     0.508999     0.539166     0.827072    Biso  1.000000 O
   O60         1.0     0.558244     0.448735     0.099243    Biso  1.000000 O
   O61         1.0     0.027588     0.471131     0.644778    Biso  1.000000 O
   O62         1.0     0.029334     0.508331     0.368546    Biso  1.000000 O
   O63         1.0     0.009276     0.962159     0.965416    Biso  1.000000 O
   O64         1.0     0.930940     0.051349     0.160222    Biso  1.000000 O
   O65         1.0     0.640242     0.949620     0.491038    Biso  1.000000 O
   O66         1.0     0.362390     0.036792     0.508942    Biso  1.000000 O
   O67         1.0     0.844122     0.007960     0.044436    Biso  1.000000 O
   O68         1.0     0.136665     0.002087     0.035548    Biso  1.000000 O
   O69         1.0     0.627118     0.521762     0.980185    Biso  1.000000 O
   O70         1.0     0.345060     0.435088     0.990673    Biso  1.000000 O
   O71         1.0     0.895746     0.488270     0.447134    Biso  1.000000 O
   O72         1.0     0.147283     0.505428     0.560490    Biso  1.000000 O
   O73         1.0     0.621657     0.078896     0.571785    Biso  1.000000 O
   O74         1.0     0.435743     0.944273     0.416695    Biso  1.000000 O
   O75         1.0     0.977574     0.381451     0.530321    Biso  1.000000 O
   O76         1.0     0.059212     0.606994     0.488116    Biso  1.000000 O
   O77         1.0     0.949948     0.096033     0.974867    Biso  1.000000 O
   O78         1.0     0.125100     0.865639     0.110026    Biso  1.000000 O
   O79         1.0     0.533839     0.416145     0.905875    Biso  1.000000 O
   O80         1.0     0.533148     0.622952     0.098467    Biso  1.000000 O
   H1          1.0     0.244828     0.340758     0.367109    Biso  1.000000 H
   H2          1.0     0.764753     0.654886     0.631897    Biso  1.000000 H
   H3          1.0     0.206596     0.153820     0.327463    Biso  1.000000 H
   H4          1.0     0.817461     0.832267     0.688008    Biso  1.000000 H
   H5          1.0     0.226203     0.317177     0.215234    Biso  1.000000 H
   H6          1.0     0.802043     0.659819     0.792745    Biso  1.000000 H
   H7          1.0     0.221645     0.156282     0.156012    Biso  1.000000 H
   H8          1.0     0.864949     0.898576     0.862790    Biso  1.000000 H
   H9          1.0     0.338174     0.765098     0.827455    Biso  1.000000 H
   H10         1.0     0.635112     0.241983     0.138951    Biso  1.000000 H
   H11         1.0     0.360880     0.745705     0.655126    Biso  1.000000 H
   H12         1.0     0.647087     0.257172     0.314226    Biso  1.000000 H
   H13         1.0     0.176270     0.727388     0.804413    Biso  1.000000 H
   H14         1.0     0.801035     0.276616     0.138984    Biso  1.000000 H
   H15         1.0     0.193533     0.773866     0.642847    Biso  1.000000 H
   H16         1.0     0.813233     0.227445     0.300275    Biso  1.000000 H
   H17         1.0     0.845339     0.810808     0.260128    Biso  1.000000 H
   H18         1.0     0.163818     0.204958     0.728131    Biso  1.000000 H
   H19         1.0     0.676544     0.845331     0.218098    Biso  1.000000 H
   H20         1.0     0.322018     0.167205     0.776853    Biso  1.000000 H
   H21         1.0     0.814849     0.651336     0.197605    Biso  1.000000 H
   H22         1.0     0.178266     0.359610     0.802556    Biso  1.000000 H
   H23         1.0     0.659114     0.678547     0.227677    Biso  1.000000 H
   H24         1.0     0.338599     0.346199     0.800610    Biso  1.000000 H
   H25         1.0     0.284330     0.417503     0.368718    Biso  1.000000 H
   H26         1.0     0.721100     0.580925     0.627578    Biso  1.000000 H
   H27         1.0     0.154820     0.222373     0.348646    Biso  1.000000 H
   H28         1.0     0.859267     0.775580     0.636381    Biso  1.000000 H
   H29         1.0     0.187578     0.385657     0.176921    Biso  1.000000 H
   H30         1.0     0.869372     0.602643     0.779491    Biso  1.000000 H
   H31         1.0     0.259454     0.082688     0.125628    Biso  1.000000 H
   H32         1.0     0.785474     0.915137     0.903072    Biso  1.000000 H
   H33         1.0     0.358965     0.844623     0.864943    Biso  1.000000 H
   H34         1.0     0.612079     0.160342     0.109252    Biso  1.000000 H
   H35         1.0     0.388797     0.665923     0.622984    Biso  1.000000 H
   H36         1.0     0.621246     0.334561     0.354567    Biso  1.000000 H
   H37         1.0     0.141946     0.644820     0.807938    Biso  1.000000 H
   H38         1.0     0.831387     0.359009     0.121013    Biso  1.000000 H
   H39         1.0     0.162407     0.855493     0.622482    Biso  1.000000 H
   H40         1.0     0.855530     0.148200     0.303068    Biso  1.000000 H
   H41         1.0     0.881623     0.798135     0.340057    Biso  1.000000 H
   H42         1.0     0.124103     0.213476     0.648225    Biso  1.000000 H
   H43         1.0     0.736697     0.847187     0.156837    Biso  1.000000 H
   H44         1.0     0.343692     0.185583     0.858892    Biso  1.000000 H
   H45         1.0     0.758012     0.667436     0.133462    Biso  1.000000 H
   H46         1.0     0.230093     0.345530     0.872269    Biso  1.000000 H
   H47         1.0     0.621697     0.626030     0.284689    Biso  1.000000 H
   H48         1.0     0.381236     0.389925     0.738866    Biso  1.000000 H
   H49         1.0     0.329428     0.100052     0.309573    Biso  1.000000 H
   H50         1.0     0.714181     0.870105     0.737569    Biso  1.000000 H
   H51         1.0     0.128459     0.346020     0.392766    Biso  1.000000 H
   H52         1.0     0.866044     0.672649     0.692423    Biso  1.000000 H
   H53         1.0     0.143789     0.246685     0.179936    Biso  1.000000 H
   H54         1.0     0.976585     0.938761     0.879373    Biso  1.000000 H
   H55         1.0     0.307818     0.234163     0.262518    Biso  1.000000 H
   H56         1.0     0.719633     0.738211     0.769010    Biso  1.000000 H
   H57         1.0     0.346160     0.839375     0.733137    Biso  1.000000 H
   H58         1.0     0.643019     0.166699     0.244286    Biso  1.000000 H
   H59         1.0     0.352070     0.676432     0.753868    Biso  1.000000 H
   H60         1.0     0.641368     0.338145     0.220491    Biso  1.000000 H
   H61         1.0     0.191947     0.678277     0.695164    Biso  1.000000 H
   H62         1.0     0.804720     0.327088     0.252100    Biso  1.000000 H
   H63         1.0     0.177041     0.827853     0.753685    Biso  1.000000 H
   H64         1.0     0.806107     0.177925     0.187843    Biso  1.000000 H
   H65         1.0     0.735225     0.814171     0.320730    Biso  1.000000 H
   H66         1.0     0.276064     0.206054     0.675654    Biso  1.000000 H
   H67         1.0     0.835171     0.759845     0.149917    Biso  1.000000 H
   H68         1.0     0.219747     0.179815     0.827329    Biso  1.000000 H
   H69         1.0     0.653625     0.753633     0.136600    Biso  1.000000 H
   H70         1.0     0.335829     0.377084     0.926540    Biso  1.000000 H
   H71         1.0     0.753882     0.648842     0.292766    Biso  1.000000 H
   H72         1.0     0.248344     0.362844     0.716108    Biso  1.000000 H
   H73         1.0     0.289377     0.124321     0.235326    Biso  1.000000 H
   H74         1.0     0.771722     0.851137     0.801591    Biso  1.000000 H
   H75         1.0     0.148161     0.334983     0.305652    Biso  1.000000 H
   H76         1.0     0.889146     0.643420     0.612060    Biso  1.000000 H
   H77         1.0     0.138919     0.181037     0.238058    Biso  1.000000 H
   H78         1.0     0.939932     0.953042     0.798594    Biso  1.000000 H
   H79         1.0     0.312202     0.318621     0.283791    Biso  1.000000 H
   H80         1.0     0.705234     0.663031     0.727097    Biso  1.000000 H
   H81         1.0     0.293407     0.843228     0.663801    Biso  1.000000 H
   H82         1.0     0.708528     0.161125     0.300381    Biso  1.000000 H
   H83         1.0     0.292081     0.663467     0.814633    Biso  1.000000 H
   H84         1.0     0.697563     0.345287     0.154233    Biso  1.000000 H
   H85         1.0     0.258525     0.680923     0.639769    Biso  1.000000 H
   H86         1.0     0.745250     0.319352     0.315274    Biso  1.000000 H
   H87         1.0     0.230457     0.824470     0.822203    Biso  1.000000 H
   H88         1.0     0.741019     0.182514     0.130797    Biso  1.000000 H
   H89         1.0     0.663591     0.766088     0.313201    Biso  1.000000 H
   H90         1.0     0.337550     0.259994     0.704983    Biso  1.000000 H
   H91         1.0     0.871533     0.836030     0.124883    Biso  1.000000 H
   H92         1.0     0.166830     0.249051     0.836950    Biso  1.000000 H
   H93         1.0     0.613464     0.675669     0.118675    Biso  1.000000 H
   H94         1.0     0.339360     0.289755     0.920201    Biso  1.000000 H
   H95         1.0     0.824003     0.698299     0.302471    Biso  1.000000 H
   H96         1.0     0.181298     0.312568     0.692595    Biso  1.000000 H
   H97         1.0     0.901361     0.523697     0.489267    Biso  1.000000 H
   H98         1.0     0.146353     0.464774     0.523703    Biso  1.000000 H
   H99         1.0     0.602533     0.911285     0.502320    Biso  1.000000 H
   H100        1.0     0.398755     0.078516     0.510746    Biso  1.000000 H
   H101        1.0     0.596695     0.566101     0.968871    Biso  1.000000 H
   H102        1.0     0.384289     0.408135     0.018562    Biso  1.000000 H
   H103        1.0     0.855770     0.955023     0.037283    Biso  1.000000 H
   H104        1.0     0.106848     0.041824     0.061521    Biso  1.000000 H
   H105        1.0     0.498733     0.392201     0.063694    Biso  1.000000 H
   H106        1.0     0.508566     0.598096     0.899783    Biso  1.000000 H
   H107        1.0     0.508087     0.097793     0.466375    Biso  1.000000 H
   H108        1.0     0.488863     0.893597     0.560874    Biso  1.000000 H
   H109        1.0     0.011028     0.081981     0.128622    Biso  1.000000 H
   H110        1.0     0.956748     0.902824     0.014863    Biso  1.000000 H
   H111        1.0     0.076555     0.443726     0.419315    Biso  1.000000 H
   H112        1.0     0.959831     0.540749     0.601384    Biso  1.000000 H
   H113        1.0     0.061410     0.969282     0.981342    Biso  1.000000 H
   H114        1.0     0.897338     0.033895     0.120494    Biso  1.000000 H
   H115        1.0     0.407437     0.974869     0.586962    Biso  1.000000 H
   H116        1.0     0.585181     0.020045     0.426063    Biso  1.000000 H
   H117        1.0     0.077711     0.481761     0.624496    Biso  1.000000 H
   H118        1.0     0.976089     0.501750     0.379302    Biso  1.000000 H
   H119        1.0     0.509499     0.489849     0.852298    Biso  1.000000 H
   H120        1.0     0.588683     0.471223     0.059618    Biso  1.000000 H
   H121        1.0     0.982579     0.592931     0.536086    Biso  1.000000 H
   H122        1.0     0.053979     0.388656     0.482278    Biso  1.000000 H
   H123        1.0     0.516675     0.813458     0.536566    Biso  1.000000 H
   H124        1.0     0.489348     0.176071     0.505391    Biso  1.000000 H
   H125        1.0     0.517282     0.679728     0.932989    Biso  1.000000 H
   H126        1.0     0.467166     0.309323     0.054654    Biso  1.000000 H
   H127        1.0     0.907925     0.831438     0.002128    Biso  1.000000 H
   H128        1.0     0.077887     0.139806     0.128100    Biso  1.000000 H
   H129        1.0     0.592247     0.415578     0.127316    Biso  1.000000 H
   H130        1.0     0.555183     0.540156     0.798872    Biso  1.000000 H
   H131        1.0     0.502572     0.005420     0.404107    Biso  1.000000 H
   H132        1.0     0.403315     0.906549     0.641152    Biso  1.000000 H
   H133        1.0     0.908239     0.037303     0.207317    Biso  1.000000 H
   H134        1.0     0.987573     0.013957     0.967926    Biso  1.000000 H
   H135        1.0     0.038370     0.505940     0.314735    Biso  1.000000 H
   H136        1.0     0.033804     0.445226     0.692186    Biso  1.000000 H
   H137        1.0     0.178393     0.026893     0.011692    Biso  1.000000 H
   H138        1.0     0.791429     0.012672     0.058537    Biso  1.000000 H
   H139        1.0     0.312525     0.057964     0.505253    Biso  1.000000 H
   H140        1.0     0.689357     0.926175     0.491990    Biso  1.000000 H
   H141        1.0     0.198983     0.513371     0.575938    Biso  1.000000 H
   H142        1.0     0.843651     0.488530     0.433134    Biso  1.000000 H
   H143        1.0     0.297263     0.426448     0.015315    Biso  1.000000 H
   H144        1.0     0.678443     0.539124     0.980197    Biso  1.000000 H
   H145        1.0     0.991123     0.410683     0.574848    Biso  1.000000 H
   H146        1.0     0.052763     0.581861     0.440261    Biso  1.000000 H
   H147        1.0     0.573091     0.442723     0.932564    Biso  1.000000 H
   H148        1.0     0.533281     0.570896     0.113205    Biso  1.000000 H
   H149        1.0     0.629631     0.032722     0.543800    Biso  1.000000 H
   H150        1.0     0.401418     0.973086     0.448455    Biso  1.000000 H
   H151        1.0     0.904328     0.078676     0.999159    Biso  1.000000 H
   H152        1.0     0.133718     0.913177     0.084379    Biso  1.000000 H
   H153        1.0     0.941248     0.411864     0.503225    Biso  1.000000 H
   H154        1.0     0.097079     0.576959     0.514302    Biso  1.000000 H
   H155        1.0     0.980298     0.117670     0.014612    Biso  1.000000 H
   H156        1.0     0.084421     0.842319     0.083529    Biso  1.000000 H
   H157        1.0     0.570336     0.092678     0.560615    Biso  1.000000 H
   H158        1.0     0.460046     0.908131     0.449664    Biso  1.000000 H
   H159        1.0     0.504596     0.390816     0.944501    Biso  1.000000 H
   H160        1.0     0.519561     0.622727     0.045463    Biso  1.000000 H
