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

_chemical_name_common                  '801_vasp_h2o'
_cell_length_a                         17.986254
_cell_length_b                         17.986254
_cell_length_c                         17.986254
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           5818.648835
_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     0.635295     0.505827     0.513665    Biso  1.000000 Zr
   Zr2         1.0     0.361456     0.493874     0.488223    Biso  1.000000 Zr
   Zr3         1.0     0.861045     0.993100     0.511343    Biso  1.000000 Zr
   Zr4         1.0     0.136475     0.006806     0.489714    Biso  1.000000 Zr
   Zr5         1.0     0.862596     0.504036     0.989937    Biso  1.000000 Zr
   Zr6         1.0     0.135273     0.493593     0.010909    Biso  1.000000 Zr
   Zr7         1.0     0.635314     0.990604     0.988652    Biso  1.000000 Zr
   Zr8         1.0     0.361120     0.006565     0.012709    Biso  1.000000 Zr
   Zr9         1.0     0.515725     0.136642     0.011484    Biso  1.000000 Zr
   Zr10        1.0     0.482506     0.861082     0.991429    Biso  1.000000 Zr
   Zr11        1.0     0.513491     0.362268     0.490850    Biso  1.000000 Zr
   Zr12        1.0     0.483273     0.637315     0.511384    Biso  1.000000 Zr
   Zr13        1.0     0.986691     0.362653     0.013555    Biso  1.000000 Zr
   Zr14        1.0     0.010939     0.635497     0.986868    Biso  1.000000 Zr
   Zr15        1.0     0.984131     0.137600     0.492175    Biso  1.000000 Zr
   Zr16        1.0     0.013092     0.862338     0.508867    Biso  1.000000 Zr
   Zr17        1.0     0.008253     0.005786     0.640303    Biso  1.000000 Zr
   Zr18        1.0     0.988844     0.992692     0.360910    Biso  1.000000 Zr
   Zr19        1.0     0.485526     0.010243     0.860742    Biso  1.000000 Zr
   Zr20        1.0     0.512102     0.987063     0.140479    Biso  1.000000 Zr
   Zr21        1.0     0.009518     0.483666     0.861793    Biso  1.000000 Zr
   Zr22        1.0     0.987847     0.515498     0.139574    Biso  1.000000 Zr
   Zr23        1.0     0.486079     0.487747     0.640806    Biso  1.000000 Zr
   Zr24        1.0     0.510478     0.511694     0.360840    Biso  1.000000 Zr
   O1          1.0     0.704635     0.407699     0.515413    Biso  1.000000 O
   O2          1.0     0.293296     0.592607     0.486236    Biso  1.000000 O
   O3          1.0     0.793054     0.092970     0.511315    Biso  1.000000 O
   O4          1.0     0.204106     0.907070     0.489400    Biso  1.000000 O
   O5          1.0     0.795840     0.402732     0.995213    Biso  1.000000 O
   O6          1.0     0.203772     0.593688     0.008987    Biso  1.000000 O
   O7          1.0     0.705158     0.089527     0.987510    Biso  1.000000 O
   O8          1.0     0.293030     0.907757     0.015438    Biso  1.000000 O
   O9          1.0     0.517381     0.204138     0.908091    Biso  1.000000 O
   O10         1.0     0.484738     0.795027     0.094701    Biso  1.000000 O
   O11         1.0     0.513135     0.294607     0.593222    Biso  1.000000 O
   O12         1.0     0.484521     0.704787     0.409273    Biso  1.000000 O
   O13         1.0     0.987040     0.291520     0.912785    Biso  1.000000 O
   O14         1.0     0.009361     0.706999     0.087873    Biso  1.000000 O
   O15         1.0     0.981290     0.201302     0.597961    Biso  1.000000 O
   O16         1.0     0.013816     0.797388     0.403164    Biso  1.000000 O
   O17         1.0     0.904379     0.008556     0.705946    Biso  1.000000 O
   O18         1.0     0.092011     0.991168     0.294824    Biso  1.000000 O
   O19         1.0     0.588657     0.010210     0.794449    Biso  1.000000 O
   O20         1.0     0.407956     0.986133     0.207637    Biso  1.000000 O
   O21         1.0     0.903355     0.481059     0.793965    Biso  1.000000 O
   O22         1.0     0.092108     0.521929     0.207492    Biso  1.000000 O
   O23         1.0     0.587482     0.485144     0.709934    Biso  1.000000 O
   O24         1.0     0.408247     0.514138     0.291903    Biso  1.000000 O
   O25         1.0     0.686819     0.623456     0.519152    Biso  1.000000 O
   O26         1.0     0.309496     0.376527     0.484452    Biso  1.000000 O
   O27         1.0     0.809931     0.874368     0.513384    Biso  1.000000 O
   O28         1.0     0.187253     0.124759     0.487249    Biso  1.000000 O
   O29         1.0     0.808949     0.619519     0.974904    Biso  1.000000 O
   O30         1.0     0.189184     0.377038     0.023841    Biso  1.000000 O
   O31         1.0     0.683928     0.869745     0.971137    Biso  1.000000 O
   O32         1.0     0.313065     0.126580     0.021848    Biso  1.000000 O
   O33         1.0     0.520545     0.185974     0.127713    Biso  1.000000 O
   O34         1.0     0.475908     0.811896     0.874960    Biso  1.000000 O
   O35         1.0     0.520178     0.313368     0.375630    Biso  1.000000 O
   O36         1.0     0.476546     0.685355     0.627146    Biso  1.000000 O
   O37         1.0     0.978140     0.317834     0.132100    Biso  1.000000 O
   O38         1.0     0.022792     0.680311     0.869956    Biso  1.000000 O
   O39         1.0     0.977814     0.190298     0.378517    Biso  1.000000 O
   O40         1.0     0.019146     0.807191     0.620784    Biso  1.000000 O
   O41         1.0     0.122633     0.016987     0.690190    Biso  1.000000 O
   O42         1.0     0.874153     0.981797     0.310975    Biso  1.000000 O
   O43         1.0     0.372015     0.021084     0.813663    Biso  1.000000 O
   O44         1.0     0.626049     0.978509     0.187231    Biso  1.000000 O
   O45         1.0     0.123900     0.479654     0.812290    Biso  1.000000 O
   O46         1.0     0.873469     0.517954     0.189596    Biso  1.000000 O
   O47         1.0     0.371995     0.484559     0.688154    Biso  1.000000 O
   O48         1.0     0.624851     0.516974     0.313907    Biso  1.000000 O
   O49         1.0     0.684481     0.504879     0.630965    Biso  1.000000 O
   O50         1.0     0.312510     0.494380     0.372386    Biso  1.000000 O
   O51         1.0     0.809180     0.997756     0.623422    Biso  1.000000 O
   O52         1.0     0.187349     0.002407     0.377238    Biso  1.000000 O
   O53         1.0     0.808988     0.488919     0.878320    Biso  1.000000 O
   O54         1.0     0.187202     0.501966     0.126402    Biso  1.000000 O
   O55         1.0     0.684887     0.994399     0.874678    Biso  1.000000 O
   O56         1.0     0.312131     0.006949     0.127927    Biso  1.000000 O
   O57         1.0     0.626194     0.185641     0.006607    Biso  1.000000 O
   O58         1.0     0.372106     0.811735     0.997227    Biso  1.000000 O
   O59         1.0     0.624479     0.313911     0.491113    Biso  1.000000 O
   O60         1.0     0.373006     0.686545     0.510833    Biso  1.000000 O
   O61         1.0     0.877085     0.308556     0.014804    Biso  1.000000 O
   O62         1.0     0.121792     0.687046     0.988058    Biso  1.000000 O
   O63         1.0     0.873506     0.188773     0.497332    Biso  1.000000 O
   O64         1.0     0.123634     0.811143     0.502447    Biso  1.000000 O
   O65         1.0     0.006274     0.120890     0.692513    Biso  1.000000 O
   O66         1.0     0.989281     0.877955     0.308668    Biso  1.000000 O
   O67         1.0     0.490849     0.125590     0.812660    Biso  1.000000 O
   O68         1.0     0.506427     0.875469     0.189866    Biso  1.000000 O
   O69         1.0     0.004199     0.369877     0.814723    Biso  1.000000 O
   O70         1.0     0.990258     0.629295     0.185937    Biso  1.000000 O
   O71         1.0     0.484580     0.372146     0.689024    Biso  1.000000 O
   O72         1.0     0.512076     0.627249     0.313231    Biso  1.000000 O
   O73         1.0     0.706887     0.514384     0.410393    Biso  1.000000 O
   O74         1.0     0.290479     0.486949     0.591329    Biso  1.000000 O
   O75         1.0     0.791366     0.982608     0.407069    Biso  1.000000 O
   O76         1.0     0.205610     0.017259     0.594273    Biso  1.000000 O
   O77         1.0     0.791260     0.511221     0.093400    Biso  1.000000 O
   O78         1.0     0.206784     0.484553     0.908268    Biso  1.000000 O
   O79         1.0     0.707734     0.980407     0.090328    Biso  1.000000 O
   O80         1.0     0.290424     0.019229     0.910654    Biso  1.000000 O
   O81         1.0     0.410093     0.208944     0.022744    Biso  1.000000 O
   O82         1.0     0.586721     0.788013     0.976624    Biso  1.000000 O
   O83         1.0     0.405605     0.293273     0.480542    Biso  1.000000 O
   O84         1.0     0.590428     0.706409     0.523079    Biso  1.000000 O
   O85         1.0     0.093216     0.293333     0.028443    Biso  1.000000 O
   O86         1.0     0.903938     0.704535     0.973508    Biso  1.000000 O
   O87         1.0     0.089726     0.206657     0.489298    Biso  1.000000 O
   O88         1.0     0.906519     0.791203     0.511450    Biso  1.000000 O
   O89         1.0     0.015780     0.901698     0.705240    Biso  1.000000 O
   O90         1.0     0.981280     0.096661     0.292853    Biso  1.000000 O
   O91         1.0     0.478754     0.907524     0.791541    Biso  1.000000 O
   O92         1.0     0.517388     0.090105     0.210729    Biso  1.000000 O
   O93         1.0     0.017364     0.584547     0.786960    Biso  1.000000 O
   O94         1.0     0.982768     0.414461     0.214070    Biso  1.000000 O
   O95         1.0     0.478735     0.590543     0.711102    Biso  1.000000 O
   O96         1.0     0.518225     0.407636     0.290936    Biso  1.000000 O
   O97         1.0     0.573432     0.585161     0.440664    Biso  1.000000 O
   O98         1.0     0.423389     0.414492     0.561662    Biso  1.000000 O
   O99         1.0     0.925076     0.916732     0.437202    Biso  1.000000 O
   O100        1.0     0.071834     0.082468     0.563945    Biso  1.000000 O
   O101        1.0     0.921863     0.586161     0.060657    Biso  1.000000 O
   O102        1.0     0.075160     0.411646     0.940403    Biso  1.000000 O
   O103        1.0     0.574709     0.911822     0.060948    Biso  1.000000 O
   O104        1.0     0.424519     0.085603     0.940538    Biso  1.000000 O
   O105        1.0     0.437269     0.074044     0.084550    Biso  1.000000 O
   O106        1.0     0.559245     0.924271     0.916753    Biso  1.000000 O
   O107        1.0     0.434952     0.424636     0.416288    Biso  1.000000 O
   O108        1.0     0.561988     0.574476     0.585987    Biso  1.000000 O
   O109        1.0     0.063997     0.427344     0.086663    Biso  1.000000 O
   O110        1.0     0.934165     0.570423     0.914524    Biso  1.000000 O
   O111        1.0     0.063314     0.077057     0.418311    Biso  1.000000 O
   O112        1.0     0.933902     0.922754     0.581671    Biso  1.000000 O
   O113        1.0     0.074190     0.942216     0.568984    Biso  1.000000 O
   O114        1.0     0.923224     0.057122     0.431452    Biso  1.000000 O
   O115        1.0     0.421805     0.944272     0.932368    Biso  1.000000 O
   O116        1.0     0.575739     0.054008     0.069520    Biso  1.000000 O
   O117        1.0     0.070340     0.550118     0.932934    Biso  1.000000 O
   O118        1.0     0.928375     0.447689     0.068367    Biso  1.000000 O
   O119        1.0     0.427114     0.551708     0.565919    Biso  1.000000 O
   O120        1.0     0.569990     0.447990     0.435826    Biso  1.000000 O
   O121        1.0     0.938513     0.434168     0.936552    Biso  1.000000 O
   O122        1.0     0.058823     0.563356     0.064357    Biso  1.000000 O
   O123        1.0     0.557089     0.058288     0.937265    Biso  1.000000 O
   O124        1.0     0.440101     0.939781     0.064649    Biso  1.000000 O
   O125        1.0     0.558873     0.437455     0.567983    Biso  1.000000 O
   O126        1.0     0.438328     0.561839     0.433853    Biso  1.000000 O
   O127        1.0     0.939311     0.058472     0.564532    Biso  1.000000 O
   O128        1.0     0.057901     0.941196     0.436110    Biso  1.000000 O
   O129        1.0     0.328373     0.329371     0.698234    Biso  1.000000 O
   O130        1.0     0.666525     0.674739     0.289011    Biso  1.000000 O
   O131        1.0     0.152762     0.175295     0.717932    Biso  1.000000 O
   O132        1.0     0.838414     0.826257     0.273706    Biso  1.000000 O
   O133        1.0     0.162443     0.320677     0.860562    Biso  1.000000 O
   O134        1.0     0.824684     0.673566     0.138285    Biso  1.000000 O
   O135        1.0     0.341391     0.182543     0.826854    Biso  1.000000 O
   O136        1.0     0.668331     0.819543     0.134868    Biso  1.000000 O
   O137        1.0     0.742522     0.837180     0.827667    Biso  1.000000 O
   O138        1.0     0.281512     0.154940     0.178940    Biso  1.000000 O
   O139        1.0     0.704986     0.660816     0.674365    Biso  1.000000 O
   O140        1.0     0.296966     0.338652     0.330153    Biso  1.000000 O
   O141        1.0     0.863217     0.642755     0.802313    Biso  1.000000 O
   O142        1.0     0.168735     0.350094     0.189727    Biso  1.000000 O
   O143        1.0     0.853884     0.841794     0.671497    Biso  1.000000 O
   O144        1.0     0.142417     0.167995     0.327956    Biso  1.000000 O
   O145        1.0     0.821529     0.148767     0.336232    Biso  1.000000 O
   O146        1.0     0.176441     0.851159     0.665249    Biso  1.000000 O
   O147        1.0     0.678681     0.148071     0.165623    Biso  1.000000 O
   O148        1.0     0.317923     0.852203     0.837567    Biso  1.000000 O
   O149        1.0     0.821196     0.295599     0.175624    Biso  1.000000 O
   O150        1.0     0.176695     0.706909     0.827149    Biso  1.000000 O
   O151        1.0     0.674534     0.287923     0.331248    Biso  1.000000 O
   O152        1.0     0.322848     0.711805     0.671187    Biso  1.000000 O
   O153        1.0     0.823927     0.297103     0.332323    Biso  1.000000 O
   O154        1.0     0.173794     0.702627     0.670319    Biso  1.000000 O
   O155        1.0     0.672406     0.143179     0.319688    Biso  1.000000 O
   O156        1.0     0.325317     0.856580     0.683732    Biso  1.000000 O
   O157        1.0     0.671090     0.296029     0.175711    Biso  1.000000 O
   O158        1.0     0.325435     0.704245     0.827844    Biso  1.000000 O
   O159        1.0     0.828515     0.149257     0.182219    Biso  1.000000 O
   O160        1.0     0.167521     0.852641     0.820934    Biso  1.000000 O
   O161        1.0     0.311323     0.328037     0.846208    Biso  1.000000 O
   O162        1.0     0.670787     0.667460     0.142318    Biso  1.000000 O
   O163        1.0     0.301588     0.181723     0.687723    Biso  1.000000 O
   O164        1.0     0.679735     0.825004     0.281271    Biso  1.000000 O
   O165        1.0     0.182412     0.169761     0.861441    Biso  1.000000 O
   O166        1.0     0.825131     0.820752     0.125851    Biso  1.000000 O
   O167        1.0     0.156759     0.325914     0.709826    Biso  1.000000 O
   O168        1.0     0.826176     0.675632     0.286865    Biso  1.000000 O
   O169        1.0     0.884259     0.861383     0.821229    Biso  1.000000 O
   O170        1.0     0.138488     0.184095     0.177334    Biso  1.000000 O
   O171        1.0     0.702480     0.838439     0.683346    Biso  1.000000 O
   O172        1.0     0.292177     0.161248     0.328523    Biso  1.000000 O
   O173        1.0     0.849926     0.694409     0.661993    Biso  1.000000 O
   O174        1.0     0.148078     0.317958     0.340067    Biso  1.000000 O
   O175        1.0     0.726879     0.684576     0.820806    Biso  1.000000 O
   O176        1.0     0.308376     0.305638     0.184191    Biso  1.000000 O
   O177        1.0     0.446681     0.129622     0.493205    Biso  1.000000 O
   O178        1.0     0.550039     0.871881     0.510089    Biso  1.000000 O
   O179        1.0     0.075396     0.400143     0.445966    Biso  1.000000 O
   O180        1.0     0.922582     0.622268     0.551085    Biso  1.000000 O
   O181        1.0     0.045378     0.128544     0.015324    Biso  1.000000 O
   O182        1.0     0.932577     0.861370     0.014417    Biso  1.000000 O
   O183        1.0     0.454040     0.373744     0.020045    Biso  1.000000 O
   O184        1.0     0.557321     0.616622     0.968909    Biso  1.000000 O
   O185        1.0     0.486396     0.942141     0.623505    Biso  1.000000 O
   O186        1.0     0.510144     0.060377     0.378918    Biso  1.000000 O
   O187        1.0     0.479059     0.538684     0.865377    Biso  1.000000 O
   O188        1.0     0.525167     0.450172     0.130315    Biso  1.000000 O
   O189        1.0     0.018507     0.537227     0.623127    Biso  1.000000 O
   O190        1.0     0.988412     0.484694     0.359003    Biso  1.000000 O
   O191        1.0     0.975553     0.951830     0.904620    Biso  1.000000 O
   O192        1.0     0.986576     0.060468     0.132603    Biso  1.000000 O
   O193        1.0     0.626082     0.991556     0.453432    Biso  1.000000 O
   O194        1.0     0.370225     0.009565     0.548580    Biso  1.000000 O
   O195        1.0     0.860260     0.999929     0.056857    Biso  1.000000 O
   O196        1.0     0.115661     0.004842     0.956750    Biso  1.000000 O
   O197        1.0     0.641441     0.481423     0.044561    Biso  1.000000 O
   O198        1.0     0.369013     0.444424     0.922346    Biso  1.000000 O
   O199        1.0     0.871617     0.507347     0.456688    Biso  1.000000 O
   O200        1.0     0.135707     0.508765     0.535731    Biso  1.000000 O
   O201        1.0     0.600386     0.118655     0.552145    Biso  1.000000 O
   O202        1.0     0.396710     0.883598     0.448794    Biso  1.000000 O
   O203        1.0     0.959061     0.404152     0.547252    Biso  1.000000 O
   O204        1.0     0.111082     0.588250     0.391978    Biso  1.000000 O
   O205        1.0     0.917405     0.083665     0.939512    Biso  1.000000 O
   O206        1.0     0.098090     0.881220     0.058355    Biso  1.000000 O
   O207        1.0     0.554593     0.396411     0.882741    Biso  1.000000 O
   O208        1.0     0.538314     0.606754     0.117444    Biso  1.000000 O
   C1          1.0     0.660114     0.689556     0.521068    Biso  1.000000 C
   C2          1.0     0.335897     0.310346     0.483315    Biso  1.000000 C
   C3          1.0     0.837133     0.808881     0.511719    Biso  1.000000 C
   C4          1.0     0.159111     0.190013     0.488922    Biso  1.000000 C
   C5          1.0     0.834663     0.685596     0.973574    Biso  1.000000 C
   C6          1.0     0.162587     0.311189     0.025379    Biso  1.000000 C
   C7          1.0     0.656344     0.803694     0.975124    Biso  1.000000 C
   C8          1.0     0.340225     0.192302     0.022792    Biso  1.000000 C
   C9          1.0     0.518922     0.159457     0.193623    Biso  1.000000 C
   C10         1.0     0.477556     0.838254     0.809075    Biso  1.000000 C
   C11         1.0     0.518150     0.338510     0.309116    Biso  1.000000 C
   C12         1.0     0.478119     0.659830     0.693432    Biso  1.000000 C
   C13         1.0     0.980213     0.344889     0.197744    Biso  1.000000 C
   C14         1.0     0.020157     0.654070     0.803973    Biso  1.000000 C
   C15         1.0     0.979118     0.165506     0.312189    Biso  1.000000 C
   C16         1.0     0.018515     0.832907     0.687211    Biso  1.000000 C
   C17         1.0     0.188489     0.016848     0.663607    Biso  1.000000 C
   C18         1.0     0.808307     0.983019     0.337781    Biso  1.000000 C
   C19         1.0     0.306350     0.018943     0.840926    Biso  1.000000 C
   C20         1.0     0.691364     0.980747     0.160361    Biso  1.000000 C
   C21         1.0     0.189058     0.485858     0.838960    Biso  1.000000 C
   C22         1.0     0.808374     0.511673     0.162879    Biso  1.000000 C
   C23         1.0     0.306484     0.487641     0.660995    Biso  1.000000 C
   C24         1.0     0.690549     0.513570     0.340795    Biso  1.000000 C
   C25         1.0     0.711635     0.753547     0.519864    Biso  1.000000 C
   C26         1.0     0.284233     0.246496     0.485881    Biso  1.000000 C
   C27         1.0     0.784878     0.745064     0.509539    Biso  1.000000 C
   C28         1.0     0.210356     0.254773     0.490785    Biso  1.000000 C
   C29         1.0     0.781704     0.748650     0.972954    Biso  1.000000 C
   C30         1.0     0.214649     0.247337     0.023720    Biso  1.000000 C
   C31         1.0     0.707863     0.739552     0.976460    Biso  1.000000 C
   C32         1.0     0.288570     0.256306     0.023662    Biso  1.000000 C
   C33         1.0     0.518065     0.211572     0.257284    Biso  1.000000 C
   C34         1.0     0.479155     0.786117     0.745607    Biso  1.000000 C
   C35         1.0     0.515251     0.285234     0.246749    Biso  1.000000 C
   C36         1.0     0.479866     0.712459     0.756193    Biso  1.000000 C
   C37         1.0     0.980235     0.292800     0.261217    Biso  1.000000 C
   C38         1.0     0.020212     0.706389     0.740674    Biso  1.000000 C
   C39         1.0     0.978779     0.219199     0.250065    Biso  1.000000 C
   C40         1.0     0.019935     0.780201     0.750382    Biso  1.000000 C
   C41         1.0     0.252137     0.017636     0.715664    Biso  1.000000 C
   C42         1.0     0.744714     0.983142     0.285775    Biso  1.000000 C
   C43         1.0     0.242514     0.016869     0.789510    Biso  1.000000 C
   C44         1.0     0.754879     0.983127     0.212026    Biso  1.000000 C
   C45         1.0     0.252079     0.492427     0.786378    Biso  1.000000 C
   C46         1.0     0.744761     0.507172     0.215032    Biso  1.000000 C
   C47         1.0     0.242639     0.489304     0.712586    Biso  1.000000 C
   C48         1.0     0.754099     0.511112     0.288816    Biso  1.000000 C
   C49         1.0     0.689976     0.338889     0.504439    Biso  1.000000 C
   C50         1.0     0.307601     0.661439     0.496839    Biso  1.000000 C
   C51         1.0     0.808129     0.162114     0.505739    Biso  1.000000 C
   C52         1.0     0.189091     0.837849     0.494794    Biso  1.000000 C
   C53         1.0     0.811502     0.334352     0.003783    Biso  1.000000 C
   C54         1.0     0.187468     0.662187     0.999371    Biso  1.000000 C
   C55         1.0     0.691287     0.158604     0.996414    Biso  1.000000 C
   C56         1.0     0.306806     0.838417     0.007431    Biso  1.000000 C
   C57         1.0     0.508610     0.189744     0.839235    Biso  1.000000 C
   C58         1.0     0.494098     0.810697     0.163528    Biso  1.000000 C
   C59         1.0     0.502970     0.308186     0.662033    Biso  1.000000 C
   C60         1.0     0.494561     0.691418     0.340353    Biso  1.000000 C
   C61         1.0     0.992756     0.305764     0.843319    Biso  1.000000 C
   C62         1.0     0.002626     0.693219     0.157376    Biso  1.000000 C
   C63         1.0     0.990070     0.185631     0.666330    Biso  1.000000 C
   C64         1.0     0.004829     0.813033     0.334660    Biso  1.000000 C
   C65         1.0     0.835325     0.005982     0.688996    Biso  1.000000 C
   C66         1.0     0.161004     0.994129     0.311792    Biso  1.000000 C
   C67         1.0     0.657954     0.005037     0.809360    Biso  1.000000 C
   C68         1.0     0.339111     0.992580     0.193111    Biso  1.000000 C
   C69         1.0     0.834493     0.479941     0.813037    Biso  1.000000 C
   C70         1.0     0.160784     0.518245     0.190942    Biso  1.000000 C
   C71         1.0     0.656563     0.489922     0.695342    Biso  1.000000 C
   C72         1.0     0.339304     0.508781     0.307420    Biso  1.000000 C
   C73         1.0     0.753310     0.287150     0.505431    Biso  1.000000 C
   C74         1.0     0.244199     0.712986     0.494753    Biso  1.000000 C
   C75         1.0     0.743570     0.213171     0.507750    Biso  1.000000 C
   C76         1.0     0.253770     0.787003     0.493593    Biso  1.000000 C
   C77         1.0     0.747584     0.282814     0.002131    Biso  1.000000 C
   C78         1.0     0.250752     0.714537     0.000172    Biso  1.000000 C
   C79         1.0     0.755991     0.209006     0.996154    Biso  1.000000 C
   C80         1.0     0.241916     0.788115     0.008833    Biso  1.000000 C
   C81         1.0     0.512702     0.253656     0.787439    Biso  1.000000 C
   C82         1.0     0.492893     0.746837     0.215437    Biso  1.000000 C
   C83         1.0     0.507888     0.244221     0.713465    Biso  1.000000 C
   C84         1.0     0.489853     0.755758     0.289495    Biso  1.000000 C
   C85         1.0     0.988300     0.240920     0.792631    Biso  1.000000 C
   C86         1.0     0.006882     0.758051     0.208187    Biso  1.000000 C
   C87         1.0     0.986379     0.249216     0.718521    Biso  1.000000 C
   C88         1.0     0.007996     0.749505     0.282325    Biso  1.000000 C
   C89         1.0     0.783138     0.009958     0.752793    Biso  1.000000 C
   C90         1.0     0.213289     0.990214     0.248092    Biso  1.000000 C
   C91         1.0     0.708966     0.008606     0.744764    Biso  1.000000 C
   C92         1.0     0.287388     0.988154     0.256991    Biso  1.000000 C
   C93         1.0     0.781369     0.475775     0.749984    Biso  1.000000 C
   C94         1.0     0.213564     0.525566     0.254070    Biso  1.000000 C
   C95         1.0     0.707689     0.482353     0.759355    Biso  1.000000 C
   C96         1.0     0.286697     0.513855     0.244518    Biso  1.000000 C
   H1          1.0     0.687742     0.808700     0.528066    Biso  1.000000 H
   H2          1.0     0.308573     0.191060     0.482228    Biso  1.000000 H
   H3          1.0     0.808884     0.690049     0.501502    Biso  1.000000 H
   H4          1.0     0.184657     0.309530     0.494364    Biso  1.000000 H
   H5          1.0     0.805790     0.804049     0.969267    Biso  1.000000 H
   H6          1.0     0.190135     0.191931     0.022927    Biso  1.000000 H
   H7          1.0     0.683549     0.684172     0.978962    Biso  1.000000 H
   H8          1.0     0.312979     0.311672     0.025739    Biso  1.000000 H
   H9          1.0     0.521566     0.187326     0.312772    Biso  1.000000 H
   H10         1.0     0.477890     0.810194     0.689984    Biso  1.000000 H
   H11         1.0     0.513302     0.308171     0.190740    Biso  1.000000 H
   H12         1.0     0.479083     0.689203     0.812105    Biso  1.000000 H
   H13         1.0     0.980392     0.315990     0.317172    Biso  1.000000 H
   H14         1.0     0.021157     0.682662     0.684964    Biso  1.000000 H
   H15         1.0     0.977150     0.196323     0.194001    Biso  1.000000 H
   H16         1.0     0.020391     0.804589     0.805721    Biso  1.000000 H
   H17         1.0     0.307588     0.019574     0.691402    Biso  1.000000 H
   H18         1.0     0.689112     0.981828     0.309721    Biso  1.000000 H
   H19         1.0     0.187062     0.014937     0.813818    Biso  1.000000 H
   H20         1.0     0.810546     0.984490     0.188258    Biso  1.000000 H
   H21         1.0     0.307579     0.496915     0.810079    Biso  1.000000 H
   H22         1.0     0.689356     0.503539     0.190797    Biso  1.000000 H
   H23         1.0     0.187184     0.484603     0.688609    Biso  1.000000 H
   H24         1.0     0.809662     0.515598     0.312529    Biso  1.000000 H
   H25         1.0     0.808692     0.311832     0.504198    Biso  1.000000 H
   H26         1.0     0.188968     0.688036     0.493906    Biso  1.000000 H
   H27         1.0     0.688444     0.187216     0.512036    Biso  1.000000 H
   H28         1.0     0.308836     0.813186     0.490694    Biso  1.000000 H
   H29         1.0     0.692690     0.308401     0.005151    Biso  1.000000 H
   H30         1.0     0.305841     0.689979     0.993946    Biso  1.000000 H
   H31         1.0     0.810681     0.183241     0.991060    Biso  1.000000 H
   H32         1.0     0.187331     0.814064     0.017249    Biso  1.000000 H
   H33         1.0     0.518324     0.308667     0.813241    Biso  1.000000 H
   H34         1.0     0.495959     0.691866     0.189700    Biso  1.000000 H
   H35         1.0     0.506667     0.189150     0.687963    Biso  1.000000 H
   H36         1.0     0.484858     0.810403     0.315386    Biso  1.000000 H
   H37         1.0     0.988153     0.186082     0.818560    Biso  1.000000 H
   H38         1.0     0.008385     0.812975     0.182468    Biso  1.000000 H
   H39         1.0     0.984922     0.304238     0.693097    Biso  1.000000 H
   H40         1.0     0.009623     0.694350     0.307460    Biso  1.000000 H
   H41         1.0     0.808726     0.011691     0.807725    Biso  1.000000 H
   H42         1.0     0.187849     0.990674     0.192998    Biso  1.000000 H
   H43         1.0     0.682833     0.008072     0.690032    Biso  1.000000 H
   H44         1.0     0.312832     0.985719     0.312019    Biso  1.000000 H
   H45         1.0     0.805686     0.472097     0.694519    Biso  1.000000 H
   H46         1.0     0.188799     0.537252     0.308504    Biso  1.000000 H
   H47         1.0     0.682764     0.483861     0.814648    Biso  1.000000 H
   H48         1.0     0.310208     0.505433     0.189234    Biso  1.000000 H
   H49         1.0     0.243538     0.325369     0.338907    Biso  1.000000 H
   H50         1.0     0.757731     0.676095     0.663932    Biso  1.000000 H
   H51         1.0     0.197713     0.160852     0.333642    Biso  1.000000 H
   H52         1.0     0.798612     0.848017     0.668589    Biso  1.000000 H
   H53         1.0     0.219668     0.325693     0.184984    Biso  1.000000 H
   H54         1.0     0.808522     0.656402     0.813416    Biso  1.000000 H
   H55         1.0     0.226692     0.167764     0.174315    Biso  1.000000 H
   H56         1.0     0.797925     0.849381     0.827995    Biso  1.000000 H
   H57         1.0     0.326751     0.796702     0.840926    Biso  1.000000 H
   H58         1.0     0.669642     0.203548     0.162170    Biso  1.000000 H
   H59         1.0     0.326711     0.768494     0.673796    Biso  1.000000 H
   H60         1.0     0.670710     0.231197     0.329255    Biso  1.000000 H
   H61         1.0     0.170159     0.763263     0.826971    Biso  1.000000 H
   H62         1.0     0.827204     0.239280     0.175537    Biso  1.000000 H
   H63         1.0     0.169107     0.795636     0.660025    Biso  1.000000 H
   H64         1.0     0.828842     0.204282     0.341991    Biso  1.000000 H
   H65         1.0     0.835622     0.828639     0.217985    Biso  1.000000 H
   H66         1.0     0.165492     0.169720     0.772657    Biso  1.000000 H
   H67         1.0     0.668338     0.826023     0.191245    Biso  1.000000 H
   H68         1.0     0.320166     0.180809     0.773767    Biso  1.000000 H
   H69         1.0     0.829891     0.669037     0.194340    Biso  1.000000 H
   H70         1.0     0.153713     0.328074     0.805748    Biso  1.000000 H
   H71         1.0     0.670908     0.670113     0.232936    Biso  1.000000 H
   H72         1.0     0.317576     0.332712     0.752964    Biso  1.000000 H
   H73         1.0     0.297099     0.390942     0.345906    Biso  1.000000 H
   H74         1.0     0.704298     0.609266     0.656480    Biso  1.000000 H
   H75         1.0     0.135726     0.222203     0.337856    Biso  1.000000 H
   H76         1.0     0.860334     0.786892     0.665420    Biso  1.000000 H
   H77         1.0     0.181505     0.399918     0.171707    Biso  1.000000 H
   H78         1.0     0.863191     0.593033     0.780679    Biso  1.000000 H
   H79         1.0     0.286417     0.108253     0.151049    Biso  1.000000 H
   H80         1.0     0.723171     0.863742     0.871124    Biso  1.000000 H
   H81         1.0     0.352594     0.877497     0.871233    Biso  1.000000 H
   H82         1.0     0.644298     0.122547     0.131873    Biso  1.000000 H
   H83         1.0     0.355578     0.697955     0.630231    Biso  1.000000 H
   H84         1.0     0.641446     0.302271     0.371749    Biso  1.000000 H
   H85         1.0     0.140379     0.689562     0.863537    Biso  1.000000 H
   H86         1.0     0.856990     0.312935     0.138749    Biso  1.000000 H
   H87         1.0     0.142492     0.876699     0.630937    Biso  1.000000 H
   H88         1.0     0.855556     0.122862     0.370258    Biso  1.000000 H
   H89         1.0     0.882164     0.856862     0.284970    Biso  1.000000 H
   H90         1.0     0.107384     0.145311     0.712587    Biso  1.000000 H
   H91         1.0     0.720962     0.827777     0.120857    Biso  1.000000 H
   H92         1.0     0.389453     0.158359     0.817499    Biso  1.000000 H
   H93         1.0     0.771492     0.662008     0.128929    Biso  1.000000 H
   H94         1.0     0.217249     0.328606     0.864833    Biso  1.000000 H
   H95         1.0     0.619022     0.649570     0.298096    Biso  1.000000 H
   H96         1.0     0.379393     0.348795     0.696966    Biso  1.000000 H
   H97         1.0     0.313138     0.210133     0.338874    Biso  1.000000 H
   H98         1.0     0.685351     0.787930     0.673616    Biso  1.000000 H
   H99         1.0     0.119290     0.346731     0.378100    Biso  1.000000 H
   H100        1.0     0.865884     0.678168     0.712569    Biso  1.000000 H
   H101        1.0     0.126213     0.236387     0.169349    Biso  1.000000 H
   H102        1.0     0.918766     0.898808     0.842418    Biso  1.000000 H
   H103        1.0     0.311863     0.251141     0.179279    Biso  1.000000 H
   H104        1.0     0.730255     0.739590     0.825882    Biso  1.000000 H
   H105        1.0     0.326661     0.864069     0.738317    Biso  1.000000 H
   H106        1.0     0.670373     0.135659     0.265160    Biso  1.000000 H
   H107        1.0     0.331815     0.698359     0.773606    Biso  1.000000 H
   H108        1.0     0.665262     0.301297     0.230147    Biso  1.000000 H
   H109        1.0     0.167518     0.695869     0.724508    Biso  1.000000 H
   H110        1.0     0.830512     0.305246     0.278387    Biso  1.000000 H
   H111        1.0     0.164488     0.861985     0.766757    Biso  1.000000 H
   H112        1.0     0.831309     0.140335     0.236598    Biso  1.000000 H
   H113        1.0     0.733409     0.832167     0.289364    Biso  1.000000 H
   H114        1.0     0.247100     0.175560     0.684744    Biso  1.000000 H
   H115        1.0     0.829709     0.764943     0.124349    Biso  1.000000 H
   H116        1.0     0.236356     0.165085     0.867538    Biso  1.000000 H
   H117        1.0     0.662146     0.721253     0.132220    Biso  1.000000 H
   H118        1.0     0.340614     0.366180     0.874049    Biso  1.000000 H
   H119        1.0     0.773605     0.669355     0.300426    Biso  1.000000 H
   H120        1.0     0.206599     0.336743     0.691217    Biso  1.000000 H
   H121        1.0     0.296035     0.154674     0.273627    Biso  1.000000 H
   H122        1.0     0.708673     0.841404     0.738325    Biso  1.000000 H
   H123        1.0     0.142113     0.340366     0.290129    Biso  1.000000 H
   H124        1.0     0.878451     0.666020     0.623558    Biso  1.000000 H
   H125        1.0     0.131925     0.175378     0.231835    Biso  1.000000 H
   H126        1.0     0.886971     0.864342     0.766577    Biso  1.000000 H
   H127        1.0     0.314704     0.317380     0.237855    Biso  1.000000 H
   H128        1.0     0.709009     0.674821     0.769427    Biso  1.000000 H
   H129        1.0     0.272174     0.863875     0.670302    Biso  1.000000 H
   H130        1.0     0.725713     0.135998     0.332434    Biso  1.000000 H
   H131        1.0     0.270962     0.696588     0.834773    Biso  1.000000 H
   H132        1.0     0.725170     0.304892     0.168162    Biso  1.000000 H
   H133        1.0     0.228556     0.697889     0.663604    Biso  1.000000 H
   H134        1.0     0.769153     0.301858     0.338879    Biso  1.000000 H
   H135        1.0     0.220395     0.861987     0.833493    Biso  1.000000 H
   H136        1.0     0.775550     0.140000     0.169761    Biso  1.000000 H
   H137        1.0     0.670263     0.771905     0.293340    Biso  1.000000 H
   H138        1.0     0.312012     0.235419     0.679936    Biso  1.000000 H
   H139        1.0     0.863384     0.840643     0.091982    Biso  1.000000 H
   H140        1.0     0.171463     0.223516     0.869307    Biso  1.000000 H
   H141        1.0     0.622598     0.640441     0.130985    Biso  1.000000 H
   H142        1.0     0.334072     0.277719     0.850328    Biso  1.000000 H
   H143        1.0     0.835734     0.729906     0.291109    Biso  1.000000 H
   H144        1.0     0.150885     0.271049     0.704934    Biso  1.000000 H
   H145        1.0     0.882845     0.552701     0.485930    Biso  1.000000 H
   H146        1.0     0.121538     0.464269     0.505701    Biso  1.000000 H
   H147        1.0     0.606165     0.943286     0.471724    Biso  1.000000 H
   H148        1.0     0.390332     0.057971     0.530860    Biso  1.000000 H
   H149        1.0     0.626703     0.525390     0.016114    Biso  1.000000 H
   H150        1.0     0.396173     0.421924     0.965859    Biso  1.000000 H
   H151        1.0     0.877494     0.949811     0.043642    Biso  1.000000 H
   H152        1.0     0.099203     0.054281     0.975166    Biso  1.000000 H
   H153        1.0     0.475604     0.396738     0.065733    Biso  1.000000 H
   H154        1.0     0.526311     0.593366     0.929316    Biso  1.000000 H
   H155        1.0     0.466188     0.109279     0.445059    Biso  1.000000 H
   H156        1.0     0.529764     0.892526     0.557899    Biso  1.000000 H
   H157        1.0     0.028880     0.109738     0.065325    Biso  1.000000 H
   H158        1.0     0.949766     0.894206     0.971993    Biso  1.000000 H
   H159        1.0     0.045274     0.433285     0.412441    Biso  1.000000 H
   H160        1.0     0.964081     0.593699     0.576249    Biso  1.000000 H
   H161        1.0     0.029787     0.959712     0.908076    Biso  1.000000 H
   H162        1.0     0.935662     0.046501     0.118434    Biso  1.000000 H
   H163        1.0     0.439308     0.963662     0.604477    Biso  1.000000 H
   H164        1.0     0.556871     0.037787     0.397494    Biso  1.000000 H
   H165        1.0     0.067723     0.530172     0.597767    Biso  1.000000 H
   H166        1.0     0.940848     0.492528     0.385871    Biso  1.000000 H
   H167        1.0     0.433071     0.513191     0.881765    Biso  1.000000 H
   H168        1.0     0.574989     0.453424     0.105290    Biso  1.000000 H
   H169        1.0     0.944441     0.665346     0.526169    Biso  1.000000 H
   H170        1.0     0.037211     0.384740     0.483148    Biso  1.000000 H
   H171        1.0     0.562148     0.819626     0.518559    Biso  1.000000 H
   H172        1.0     0.433589     0.181706     0.484938    Biso  1.000000 H
   H173        1.0     0.560712     0.669845     0.958328    Biso  1.000000 H
   H174        1.0     0.442371     0.321633     0.030762    Biso  1.000000 H
   H175        1.0     0.927114     0.811121     0.993438    Biso  1.000000 H
   H176        1.0     0.061400     0.180162     0.021428    Biso  1.000000 H
   H177        1.0     0.531865     0.431984     0.181286    Biso  1.000000 H
   H178        1.0     0.471290     0.557349     0.814657    Biso  1.000000 H
   H179        1.0     0.514219     0.064182     0.325013    Biso  1.000000 H
   H180        1.0     0.479991     0.933766     0.676672    Biso  1.000000 H
   H181        1.0     0.985296     0.072970     0.185597    Biso  1.000000 H
   H182        1.0     0.953707     0.003161     0.912938    Biso  1.000000 H
   H183        1.0     0.977915     0.459042     0.311900    Biso  1.000000 H
   H184        1.0     0.027148     0.550294     0.675401    Biso  1.000000 H
   H185        1.0     0.167063     0.010571     0.940322    Biso  1.000000 H
   H186        1.0     0.806488     0.995578     0.066865    Biso  1.000000 H
   H187        1.0     0.318276     0.017124     0.562691    Biso  1.000000 H
   H188        1.0     0.678085     0.984175     0.439524    Biso  1.000000 H
   H189        1.0     0.186805     0.501591     0.553468    Biso  1.000000 H
   H190        1.0     0.818441     0.508409     0.444643    Biso  1.000000 H
   H191        1.0     0.320678     0.463309     0.938945    Biso  1.000000 H
   H192        1.0     0.693113     0.490004     0.060237    Biso  1.000000 H
   H193        1.0     0.976352     0.441285     0.583442    Biso  1.000000 H
   H194        1.0     0.067486     0.559911     0.375550    Biso  1.000000 H
   H195        1.0     0.535606     0.446314     0.871378    Biso  1.000000 H
   H196        1.0     0.528146     0.554028     0.128975    Biso  1.000000 H
   H197        1.0     0.613062     0.072547     0.525645    Biso  1.000000 H
   H198        1.0     0.383604     0.929299     0.475804    Biso  1.000000 H
   H199        1.0     0.889542     0.061982     0.981709    Biso  1.000000 H
   H200        1.0     0.104731     0.926819     0.028770    Biso  1.000000 H
   H201        1.0     0.921643     0.431149     0.517815    Biso  1.000000 H
   H202        1.0     0.122888     0.568422     0.441378    Biso  1.000000 H
   H203        1.0     0.960584     0.108770     0.963024    Biso  1.000000 H
   H204        1.0     0.045873     0.867912     0.051275    Biso  1.000000 H
   H205        1.0     0.547779     0.126328     0.539741    Biso  1.000000 H
   H206        1.0     0.449179     0.875911     0.461711    Biso  1.000000 H
   H207        1.0     0.534007     0.385065     0.931805    Biso  1.000000 H
   H208        1.0     0.534831     0.610238     0.062297    Biso  1.000000 H
   H209        1.0     0.388302     0.379247     0.582737    Biso  1.000000 H
   H210        1.0     0.589703     0.609562     0.616429    Biso  1.000000 H
   H211        1.0     0.407144     0.388857     0.386697    Biso  1.000000 H
   H212        1.0     0.607511     0.621341     0.419661    Biso  1.000000 H
   H213        1.0     0.105915     0.117256     0.587179    Biso  1.000000 H
   H214        1.0     0.092715     0.111334     0.385224    Biso  1.000000 H
   H215        1.0     0.902694     0.889632     0.615561    Biso  1.000000 H
   H216        1.0     0.891138     0.881703     0.414256    Biso  1.000000 H
   H217        1.0     0.887221     0.620786     0.087259    Biso  1.000000 H
   H218        1.0     0.906412     0.603307     0.879324    Biso  1.000000 H
   H219        1.0     0.108611     0.376111     0.912661    Biso  1.000000 H
   H220        1.0     0.091663     0.392153     0.117648    Biso  1.000000 H
   H221        1.0     0.410594     0.108341     0.116584    Biso  1.000000 H
   H222        1.0     0.388381     0.119592     0.918592    Biso  1.000000 H
   H223        1.0     0.586731     0.890729     0.884714    Biso  1.000000 H
   H224        1.0     0.608832     0.876484     0.088004    Biso  1.000000 H
