# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.97054480
_cell_length_b   31.89177643
_cell_length_c   47.68748298
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.68414969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr396
_cell_volume   20966.7165237
_cell_formula_units_Z   396
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.612015  0.906677  0.282666  1
  Zr  Zr2  1  0.278682  0.740011  0.282666  1
  Zr  Zr3  1  0.219194  0.905695  0.294648  1
  Zr  Zr4  1  0.612015  0.406677  0.282666  1
  Zr  Zr5  1  0.552528  0.572362  0.294648  1
  Zr  Zr6  1  0.497412  0.735124  0.306521  1
  Zr  Zr7  1  0.945349  0.573344  0.282666  1
  Zr  Zr8  1  0.885861  0.739029  0.294648  1
  Zr  Zr9  1  0.830745  0.901791  0.306521  1
  Zr  Zr10  1  0.278682  0.240011  0.282666  1
  Zr  Zr11  1  0.219194  0.405695  0.294648  1
  Zr  Zr12  1  0.164079  0.568458  0.306521  1
  Zr  Zr13  1  0.552528  0.072362  0.294648  1
  Zr  Zr14  1  0.497412  0.235124  0.306521  1
  Zr  Zr15  1  0.945349  0.073344  0.282666  1
  Zr  Zr16  1  0.885861  0.239029  0.294648  1
  Zr  Zr17  1  0.830745  0.401791  0.306521  1
  Zr  Zr18  1  0.164079  0.068458  0.306521  1
  Zr  Zr19  1  0.328136  0.816664  0.317332  1
  Zr  Zr20  1  0.994803  0.649998  0.317332  1
  Zr  Zr21  1  0.115309  0.821540  0.292209  1
  Zr  Zr22  1  0.328136  0.316664  0.317332  1
  Zr  Zr23  1  0.448642  0.488206  0.292209  1
  Zr  Zr24  1  0.387032  0.652715  0.304747  1
  Zr  Zr25  1  0.661469  0.483331  0.317332  1
  Zr  Zr26  1  0.781975  0.654873  0.292209  1
  Zr  Zr27  1  0.720366  0.819382  0.304747  1
  Zr  Zr28  1  0.994803  0.149998  0.317332  1
  Zr  Zr29  1  0.115309  0.321540  0.292209  1
  Zr  Zr30  1  0.053699  0.486049  0.304747  1
  Zr  Zr31  1  0.448642  0.988206  0.292209  1
  Zr  Zr32  1  0.387032  0.152715  0.304747  1
  Zr  Zr33  1  0.661469  0.983331  0.317332  1
  Zr  Zr34  1  0.781975  0.154873  0.292209  1
  Zr  Zr35  1  0.720366  0.319382  0.304747  1
  Zr  Zr36  1  0.053699  0.986049  0.304747  1
  Zr  Zr37  1  0.435670  0.899256  0.319852  1
  Zr  Zr38  1  0.102337  0.732589  0.319852  1
  Zr  Zr39  1  0.042119  0.897236  0.333549  1
  Zr  Zr40  1  0.435670  0.399256  0.319852  1
  Zr  Zr41  1  0.375452  0.563903  0.333549  1
  Zr  Zr42  1  0.315482  0.728838  0.346909  1
  Zr  Zr43  1  0.769004  0.565922  0.319852  1
  Zr  Zr44  1  0.708786  0.730569  0.333549  1
  Zr  Zr45  1  0.648815  0.895505  0.346909  1
  Zr  Zr46  1  0.102337  0.232589  0.319852  1
  Zr  Zr47  1  0.042119  0.397236  0.333549  1
  Zr  Zr48  1  0.982149  0.562171  0.346909  1
  Zr  Zr49  1  0.375452  0.063903  0.333549  1
  Zr  Zr50  1  0.315482  0.228838  0.346909  1
  Zr  Zr51  1  0.769004  0.065922  0.319852  1
  Zr  Zr52  1  0.708786  0.230569  0.333549  1
  Zr  Zr53  1  0.648815  0.395505  0.346909  1
  Zr  Zr54  1  0.982149  0.062171  0.346909  1
  Zr  Zr55  1  0.149041  0.809227  0.357543  1
  Zr  Zr56  1  0.815708  0.642561  0.357543  1
  Zr  Zr57  1  0.933861  0.814203  0.331571  1
  Zr  Zr58  1  0.149041  0.309227  0.357543  1
  Zr  Zr59  1  0.267194  0.480870  0.331571  1
  Zr  Zr60  1  0.208054  0.645911  0.344369  1
  Zr  Zr61  1  0.482374  0.475894  0.357543  1
  Zr  Zr62  1  0.600528  0.647536  0.331571  1
  Zr  Zr63  1  0.541387  0.812578  0.344369  1
  Zr  Zr64  1  0.815708  0.142561  0.357543  1
  Zr  Zr65  1  0.933861  0.314203  0.331571  1
  Zr  Zr66  1  0.874721  0.479244  0.344369  1
  Zr  Zr67  1  0.267194  0.980870  0.331571  1
  Zr  Zr68  1  0.208054  0.145911  0.344369  1
  Zr  Zr69  1  0.482374  0.975894  0.357543  1
  Zr  Zr70  1  0.600528  0.147536  0.331571  1
  Zr  Zr71  1  0.541387  0.312578  0.344369  1
  Zr  Zr72  1  0.874721  0.979244  0.344369  1
  Zr  Zr73  1  0.253375  0.891943  0.359770  1
  Zr  Zr74  1  0.920041  0.725276  0.359770  1
  Zr  Zr75  1  0.859776  0.890093  0.373248  1
  Zr  Zr76  1  0.253375  0.391943  0.359770  1
  Zr  Zr77  1  0.193109  0.556760  0.373248  1
  Zr  Zr78  1  0.132211  0.720745  0.386985  1
  Zr  Zr79  1  0.586708  0.558609  0.359770  1
  Zr  Zr80  1  0.526442  0.723427  0.373248  1
  Zr  Zr81  1  0.465545  0.887412  0.386985  1
  Zr  Zr82  1  0.920041  0.225276  0.359770  1
  Zr  Zr83  1  0.859776  0.390093  0.373248  1
  Zr  Zr84  1  0.798878  0.554079  0.386985  1
  Zr  Zr85  1  0.193109  0.056760  0.373248  1
  Zr  Zr86  1  0.132211  0.220745  0.386985  1
  Zr  Zr87  1  0.586708  0.058609  0.359770  1
  Zr  Zr88  1  0.526442  0.223427  0.373248  1
  Zr  Zr89  1  0.465545  0.387412  0.386985  1
  Zr  Zr90  1  0.798878  0.054079  0.386985  1
  Zr  Zr91  1  0.968815  0.801900  0.398190  1
  Zr  Zr92  1  0.635482  0.635234  0.398190  1
  Zr  Zr93  1  0.755692  0.806845  0.371076  1
  Zr  Zr94  1  0.968815  0.301900  0.398190  1
  Zr  Zr95  1  0.089025  0.473512  0.371076  1
  Zr  Zr96  1  0.029548  0.637961  0.384740  1
  Zr  Zr97  1  0.302149  0.468567  0.398190  1
  Zr  Zr98  1  0.422359  0.640178  0.371076  1
  Zr  Zr99  1  0.362882  0.804628  0.384740  1
  Zr  Zr100  1  0.635482  0.135234  0.398190  1
  Zr  Zr101  1  0.755692  0.306845  0.371076  1
  Zr  Zr102  1  0.696215  0.471294  0.384740  1
  Zr  Zr103  1  0.089025  0.973512  0.371076  1
  Zr  Zr104  1  0.029548  0.137961  0.384740  1
  Zr  Zr105  1  0.302149  0.968567  0.398190  1
  Zr  Zr106  1  0.422359  0.140178  0.371076  1
  Zr  Zr107  1  0.362882  0.304628  0.384740  1
  Zr  Zr108  1  0.696215  0.971294  0.384740  1
  Zr  Zr109  1  0.071784  0.884754  0.400410  1
  Zr  Zr110  1  0.738450  0.718087  0.400410  1
  Zr  Zr111  1  0.678068  0.882425  0.413589  1
  Zr  Zr112  1  0.071784  0.384754  0.400410  1
  Zr  Zr113  1  0.011401  0.549091  0.413589  1
  Zr  Zr114  1  0.950595  0.713305  0.426960  1
  Zr  Zr115  1  0.405117  0.551420  0.400410  1
  Zr  Zr116  1  0.344734  0.715758  0.413589  1
  Zr  Zr117  1  0.283929  0.879972  0.426960  1
  Zr  Zr118  1  0.738450  0.218087  0.400410  1
  Zr  Zr119  1  0.678068  0.382425  0.413589  1
  Zr  Zr120  1  0.617262  0.546639  0.426960  1
  Zr  Zr121  1  0.011401  0.049091  0.413589  1
  Zr  Zr122  1  0.950595  0.213305  0.426960  1
  Zr  Zr123  1  0.405117  0.051420  0.400410  1
  Zr  Zr124  1  0.344734  0.215758  0.413589  1
  Zr  Zr125  1  0.283929  0.379972  0.426960  1
  Zr  Zr126  1  0.617262  0.046639  0.426960  1
  Zr  Zr127  1  0.787738  0.794536  0.438164  1
  Zr  Zr128  1  0.454405  0.627869  0.438164  1
  Zr  Zr129  1  0.575496  0.799475  0.411499  1
  Zr  Zr130  1  0.787738  0.294536  0.438164  1
  Zr  Zr131  1  0.908830  0.466141  0.411499  1
  Zr  Zr132  1  0.848393  0.630324  0.424703  1
  Zr  Zr133  1  0.121072  0.461202  0.438164  1
  Zr  Zr134  1  0.242163  0.632808  0.411499  1
  Zr  Zr135  1  0.181727  0.796991  0.424703  1
  Zr  Zr136  1  0.454405  0.127869  0.438164  1
  Zr  Zr137  1  0.575496  0.299475  0.411499  1
  Zr  Zr138  1  0.515060  0.463657  0.424703  1
  Zr  Zr139  1  0.908830  0.966141  0.411499  1
  Zr  Zr140  1  0.848393  0.130324  0.424703  1
  Zr  Zr141  1  0.121072  0.961202  0.438164  1
  Zr  Zr142  1  0.242163  0.132808  0.411499  1
  Zr  Zr143  1  0.181727  0.296991  0.424703  1
  Zr  Zr144  1  0.515060  0.963657  0.424703  1
  Zr  Zr145  1  0.890100  0.877496  0.440302  1
  Zr  Zr146  1  0.556766  0.710829  0.440302  1
  Zr  Zr147  1  0.496351  0.875015  0.453681  1
  Zr  Zr148  1  0.890100  0.377496  0.440302  1
  Zr  Zr149  1  0.829684  0.541682  0.453681  1
  Zr  Zr150  1  0.769178  0.705819  0.467066  1
  Zr  Zr151  1  0.223433  0.544163  0.440302  1
  Zr  Zr152  1  0.163018  0.708348  0.453681  1
  Zr  Zr153  1  0.102511  0.872486  0.467066  1
  Zr  Zr154  1  0.556766  0.210829  0.440302  1
  Zr  Zr155  1  0.496351  0.375015  0.453681  1
  Zr  Zr156  1  0.435845  0.539153  0.467066  1
  Zr  Zr157  1  0.829684  0.041682  0.453681  1
  Zr  Zr158  1  0.769178  0.205819  0.467066  1
  Zr  Zr159  1  0.223433  0.044163  0.440302  1
  Zr  Zr160  1  0.163018  0.208348  0.453681  1
  Zr  Zr161  1  0.102511  0.372486  0.467066  1
  Zr  Zr162  1  0.435845  0.039153  0.467066  1
  Zr  Zr163  1  0.606530  0.787091  0.478284  1
  Zr  Zr164  1  0.273197  0.620424  0.478284  1
  Zr  Zr165  1  0.394084  0.792095  0.451552  1
  Zr  Zr166  1  0.606530  0.287091  0.478284  1
  Zr  Zr167  1  0.727418  0.458762  0.451552  1
  Zr  Zr168  1  0.667005  0.622930  0.464884  1
  Zr  Zr169  1  0.939863  0.453758  0.478284  1
  Zr  Zr170  1  0.060751  0.625429  0.451552  1
  Zr  Zr171  1  1.000339  0.789596  0.464884  1
  Zr  Zr172  1  0.273197  0.120424  0.478284  1
  Zr  Zr173  1  0.394084  0.292095  0.451552  1
  Zr  Zr174  1  0.333672  0.456263  0.464884  1
  Zr  Zr175  1  0.727418  0.958762  0.451552  1
  Zr  Zr176  1  0.667005  0.122930  0.464884  1
  Zr  Zr177  1  0.939863  0.953758  0.478284  1
  Zr  Zr178  1  0.060751  0.125429  0.451552  1
  Zr  Zr179  1  1.000339  0.289596  0.464884  1
  Zr  Zr180  1  0.333672  0.956263  0.464884  1
  Zr  Zr181  1  0.708712  0.870047  0.480396  1
  Zr  Zr182  1  0.375379  0.703380  0.480396  1
  Zr  Zr183  1  0.314886  0.867583  0.493782  1
  Zr  Zr184  1  0.708712  0.370047  0.480396  1
  Zr  Zr185  1  0.648220  0.534250  0.493782  1
  Zr  Zr186  1  0.587716  0.698419  0.507147  1
  Zr  Zr187  1  0.042046  0.536714  0.480396  1
  Zr  Zr188  1  0.981553  0.700916  0.493782  1
  Zr  Zr189  1  0.921049  0.865086  0.507147  1
  Zr  Zr190  1  0.375379  0.203380  0.480396  1
  Zr  Zr191  1  0.314886  0.367583  0.493782  1
  Zr  Zr192  1  0.254382  0.531753  0.507147  1
  Zr  Zr193  1  0.648220  0.034250  0.493782  1
  Zr  Zr194  1  0.587716  0.198419  0.507147  1
  Zr  Zr195  1  0.042046  0.036714  0.480396  1
  Zr  Zr196  1  0.981553  0.200916  0.493782  1
  Zr  Zr197  1  0.921049  0.365086  0.507147  1
  Zr  Zr198  1  0.254382  0.031753  0.507147  1
  Zr  Zr199  1  0.425087  0.779680  0.518368  1
  Zr  Zr200  1  0.091754  0.613013  0.518368  1
  Zr  Zr201  1  0.212751  0.784641  0.491617  1
  Zr  Zr202  1  0.425087  0.279680  0.518368  1
  Zr  Zr203  1  0.546084  0.451307  0.491617  1
  Zr  Zr204  1  0.485580  0.615477  0.504982  1
  Zr  Zr205  1  0.758421  0.446347  0.518368  1
  Zr  Zr206  1  0.879417  0.617974  0.491617  1
  Zr  Zr207  1  0.818913  0.782144  0.504982  1
  Zr  Zr208  1  0.091754  0.113013  0.518368  1
  Zr  Zr209  1  0.212751  0.284641  0.491617  1
  Zr  Zr210  1  0.152247  0.448811  0.504982  1
  Zr  Zr211  1  0.546084  0.951307  0.491617  1
  Zr  Zr212  1  0.485580  0.115477  0.504982  1
  Zr  Zr213  1  0.758421  0.946347  0.518368  1
  Zr  Zr214  1  0.879417  0.117974  0.491617  1
  Zr  Zr215  1  0.818913  0.282144  0.504982  1
  Zr  Zr216  1  0.152247  0.948811  0.504982  1
  Zr  Zr217  1  0.527270  0.862636  0.520481  1
  Zr  Zr218  1  0.193936  0.695969  0.520481  1
  Zr  Zr219  1  0.133461  0.860130  0.533880  1
  Zr  Zr220  1  0.527270  0.362636  0.520481  1
  Zr  Zr221  1  0.466794  0.526797  0.533880  1
  Zr  Zr222  1  0.406382  0.690965  0.547212  1
  Zr  Zr223  1  0.860603  0.529302  0.520481  1
  Zr  Zr224  1  0.800128  0.693464  0.533880  1
  Zr  Zr225  1  0.739715  0.857631  0.547212  1
  Zr  Zr226  1  0.193936  0.195969  0.520481  1
  Zr  Zr227  1  0.133461  0.360130  0.533880  1
  Zr  Zr228  1  0.073049  0.524298  0.547212  1
  Zr  Zr229  1  0.466794  0.026797  0.533880  1
  Zr  Zr230  1  0.406382  0.190965  0.547212  1
  Zr  Zr231  1  0.860603  0.029302  0.520481  1
  Zr  Zr232  1  0.800128  0.193464  0.533880  1
  Zr  Zr233  1  0.739715  0.357631  0.547212  1
  Zr  Zr234  1  0.073049  0.024298  0.547212  1
  Zr  Zr235  1  0.243700  0.772231  0.558462  1
  Zr  Zr236  1  0.910367  0.605564  0.558462  1
  Zr  Zr237  1  0.031288  0.777241  0.531698  1
  Zr  Zr238  1  0.243700  0.272231  0.558462  1
  Zr  Zr239  1  0.364622  0.443907  0.531698  1
  Zr  Zr240  1  0.304115  0.608045  0.545083  1
  Zr  Zr241  1  0.577034  0.438897  0.558462  1
  Zr  Zr242  1  0.697955  0.610574  0.531698  1
  Zr  Zr243  1  0.637449  0.774712  0.545083  1
  Zr  Zr244  1  0.910367  0.105564  0.558462  1
  Zr  Zr245  1  0.031288  0.277241  0.531698  1
  Zr  Zr246  1  0.970782  0.441378  0.545083  1
  Zr  Zr247  1  0.364622  0.943907  0.531698  1
  Zr  Zr248  1  0.304115  0.108045  0.545083  1
  Zr  Zr249  1  0.577034  0.938897  0.558462  1
  Zr  Zr250  1  0.697955  0.110574  0.531698  1
  Zr  Zr251  1  0.637449  0.274712  0.545083  1
  Zr  Zr252  1  0.970782  0.941378  0.545083  1
  Zr  Zr253  1  0.346061  0.855191  0.560600  1
  Zr  Zr254  1  0.012728  0.688524  0.560600  1
  Zr  Zr255  1  0.952073  0.852736  0.574061  1
  Zr  Zr256  1  0.346061  0.355191  0.560600  1
  Zr  Zr257  1  0.285406  0.519403  0.574061  1
  Zr  Zr258  1  0.224970  0.683585  0.587265  1
  Zr  Zr259  1  0.679395  0.521858  0.560600  1
  Zr  Zr260  1  0.618740  0.686069  0.574061  1
  Zr  Zr261  1  0.558303  0.850252  0.587265  1
  Zr  Zr262  1  0.012728  0.188524  0.560600  1
  Zr  Zr263  1  0.952073  0.352736  0.574061  1
  Zr  Zr264  1  0.891637  0.516919  0.587265  1
  Zr  Zr265  1  0.285406  0.019403  0.574061  1
  Zr  Zr266  1  0.224970  0.183585  0.587265  1
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  Zr  Zr277  1  0.395350  0.431640  0.598355  1
  Zr  Zr278  1  0.516538  0.603088  0.571804  1
  Zr  Zr279  1  0.455732  0.767302  0.585176  1
  Zr  Zr280  1  0.728683  0.098307  0.598355  1
  Zr  Zr281  1  0.849871  0.269755  0.571804  1
  Zr  Zr282  1  0.789065  0.433969  0.585176  1
  Zr  Zr283  1  0.183204  0.936421  0.571804  1
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  Zr  Zr285  1  0.395350  0.931640  0.598355  1
  Zr  Zr286  1  0.516538  0.103088  0.571804  1
  Zr  Zr287  1  0.455732  0.267302  0.585176  1
  Zr  Zr288  1  0.789065  0.933969  0.585176  1
  Zr  Zr289  1  0.164984  0.847827  0.600574  1
  Zr  Zr290  1  0.831651  0.681160  0.600574  1
  Zr  Zr291  1  0.770918  0.845099  0.614024  1
  Zr  Zr292  1  0.164984  0.347827  0.600574  1
  Zr  Zr293  1  0.104251  0.511766  0.614024  1
  Zr  Zr294  1  0.044774  0.676215  0.627688  1
  Zr  Zr295  1  0.498318  0.514493  0.600574  1
  Zr  Zr296  1  0.437585  0.678432  0.614024  1
  Zr  Zr297  1  0.378108  0.842882  0.627688  1
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  Zr  Zr299  1  0.770918  0.345099  0.614024  1
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  Zr  Zr303  1  0.498318  0.014493  0.600574  1
  Zr  Zr304  1  0.437585  0.178432  0.614024  1
  Zr  Zr305  1  0.378108  0.342882  0.627688  1
  Zr  Zr306  1  0.711441  0.009548  0.627688  1
  Zr  Zr307  1  0.880425  0.757784  0.638994  1
  Zr  Zr308  1  0.547092  0.591117  0.638994  1
  Zr  Zr309  1  0.668255  0.762315  0.611779  1
  Zr  Zr310  1  0.880425  0.257784  0.638994  1
  Zr  Zr311  1  1.001588  0.428981  0.611779  1
  Zr  Zr312  1  0.940691  0.592967  0.625516  1
  Zr  Zr313  1  0.213758  0.424451  0.638994  1
  Zr  Zr314  1  0.334922  0.595648  0.611779  1
  Zr  Zr315  1  0.274024  0.759633  0.625516  1
  Zr  Zr316  1  0.547092  0.091117  0.638994  1
  Zr  Zr317  1  0.668255  0.262315  0.611779  1
  Zr  Zr318  1  0.607357  0.426300  0.625516  1
  Zr  Zr319  1  1.001588  0.928981  0.611779  1
  Zr  Zr320  1  0.940691  0.092967  0.625516  1
  Zr  Zr321  1  0.213758  0.924451  0.638994  1
  Zr  Zr322  1  0.334922  0.095648  0.611779  1
  Zr  Zr323  1  0.274024  0.259633  0.625516  1
  Zr  Zr324  1  0.607357  0.926300  0.625516  1
  Zr  Zr325  1  0.984759  0.840499  0.641221  1
  Zr  Zr326  1  0.651425  0.673833  0.641221  1
  Zr  Zr327  1  0.592412  0.837149  0.654395  1
  Zr  Zr328  1  0.984759  0.340499  0.641221  1
  Zr  Zr329  1  0.925746  0.503816  0.654395  1
  Zr  Zr330  1  0.866605  0.668857  0.667193  1
  Zr  Zr331  1  0.318092  0.507166  0.641221  1
  Zr  Zr332  1  0.259079  0.670483  0.654395  1
  Zr  Zr333  1  0.199939  0.835524  0.667193  1
  Zr  Zr334  1  0.651425  0.173833  0.641221  1
  Zr  Zr335  1  0.592412  0.337149  0.654395  1
  Zr  Zr336  1  0.533272  0.502190  0.667193  1
  Zr  Zr337  1  0.925746  0.003816  0.654395  1
  Zr  Zr338  1  0.866605  0.168857  0.667193  1
  Zr  Zr339  1  0.318092  0.007166  0.641221  1
  Zr  Zr340  1  0.259079  0.170483  0.654395  1
  Zr  Zr341  1  0.199939  0.335524  0.667193  1
  Zr  Zr342  1  0.533272  0.002190  0.667193  1
  Zr  Zr343  1  0.698129  0.750471  0.678912  1
  Zr  Zr344  1  0.364796  0.583804  0.678912  1
  Zr  Zr345  1  0.484984  0.754222  0.651855  1
  Zr  Zr346  1  0.698129  0.250471  0.678912  1
  Zr  Zr347  1  0.818318  0.420889  0.651855  1
  Zr  Zr348  1  0.758348  0.585824  0.665215  1
  Zr  Zr349  1  0.031463  0.417138  0.678912  1
  Zr  Zr350  1  0.151651  0.587555  0.651855  1
  Zr  Zr351  1  0.091681  0.752491  0.665215  1
  Zr  Zr352  1  0.364796  0.083804  0.678912  1
  Zr  Zr353  1  0.484984  0.254222  0.651855  1
  Zr  Zr354  1  0.425014  0.419157  0.665215  1
  Zr  Zr355  1  0.818318  0.920889  0.651855  1
  Zr  Zr356  1  0.758348  0.085824  0.665215  1
  Zr  Zr357  1  0.031463  0.917138  0.678912  1
  Zr  Zr358  1  0.151651  0.087555  0.651855  1
  Zr  Zr359  1  0.091681  0.252491  0.665215  1
  Zr  Zr360  1  0.425014  0.919157  0.665215  1
  Zr  Zr361  1  0.805664  0.833062  0.681433  1
  Zr  Zr362  1  0.472330  0.666396  0.681433  1
  Zr  Zr363  1  0.413434  0.830345  0.694018  1
  Zr  Zr364  1  0.805664  0.333062  0.681433  1
  Zr  Zr365  1  0.746767  0.497011  0.694018  1
  Zr  Zr366  1  0.685158  0.661520  0.706555  1
  Zr  Zr367  1  0.138997  0.499729  0.681433  1
  Zr  Zr368  1  0.080101  0.663678  0.694018  1
  Zr  Zr369  1  0.018491  0.828187  0.706555  1
  Zr  Zr370  1  0.472330  0.166396  0.681433  1
  Zr  Zr371  1  0.413434  0.330345  0.694018  1
  Zr  Zr372  1  0.351824  0.494854  0.706555  1
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  Zr  Zr376  1  0.080101  0.163678  0.694018  1
  Zr  Zr377  1  0.018491  0.328187  0.706555  1
  Zr  Zr378  1  0.351824  0.994854  0.706555  1
  Zr  Zr379  1  0.521784  0.743049  0.716098  1
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  Zr  Zr381  1  0.303054  0.747936  0.692243  1
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  Zr  Zr390  1  0.247939  0.410698  0.704117  1
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  Zr  Zr394  1  0.969721  0.081269  0.692243  1
  Zr  Zr395  1  0.914605  0.244031  0.704117  1
  Zr  Zr396  1  0.247939  0.910698  0.704117  1
