# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.94843638
_cell_length_b   31.42210419
_cell_length_c   47.98577024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.56237548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr396
_cell_volume   20746.9761805
_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  0.469579  0.818928  0.311873  1
  Zr  Zr2  1  0.136246  0.652261  0.311873  1
  Zr  Zr3  1  0.255872  0.824440  0.288384  1
  Zr  Zr4  1  0.469579  0.318928  0.311873  1
  Zr  Zr5  1  0.589205  0.491107  0.288384  1
  Zr  Zr6  1  0.529732  0.654402  0.300444  1
  Zr  Zr7  1  0.802913  0.485595  0.311873  1
  Zr  Zr8  1  0.922538  0.657773  0.288384  1
  Zr  Zr9  1  0.863066  0.821069  0.300444  1
  Zr  Zr10  1  0.136246  0.152261  0.311873  1
  Zr  Zr11  1  0.255872  0.324440  0.288384  1
  Zr  Zr12  1  0.196399  0.487736  0.300444  1
  Zr  Zr13  1  0.589205  0.991107  0.288384  1
  Zr  Zr14  1  0.529732  0.154402  0.300444  1
  Zr  Zr15  1  0.802913  0.985595  0.311873  1
  Zr  Zr16  1  0.922538  0.157773  0.288384  1
  Zr  Zr17  1  0.863066  0.321069  0.300444  1
  Zr  Zr18  1  0.196399  0.987736  0.300444  1
  Zr  Zr19  1  0.487523  0.908508  0.287307  1
  Zr  Zr20  1  0.154190  0.741841  0.287307  1
  Zr  Zr21  1  0.092207  0.905497  0.298475  1
  Zr  Zr22  1  0.487523  0.408508  0.287307  1
  Zr  Zr23  1  0.425540  0.572164  0.298475  1
  Zr  Zr24  1  0.363832  0.735985  0.309923  1
  Zr  Zr25  1  0.820857  0.575174  0.287307  1
  Zr  Zr26  1  0.758874  0.738831  0.298475  1
  Zr  Zr27  1  0.697165  0.902652  0.309923  1
  Zr  Zr28  1  0.154190  0.241841  0.287307  1
  Zr  Zr29  1  0.092207  0.405497  0.298475  1
  Zr  Zr30  1  0.030498  0.569319  0.309923  1
  Zr  Zr31  1  0.425540  0.072164  0.298475  1
  Zr  Zr32  1  0.363832  0.235985  0.309923  1
  Zr  Zr33  1  0.820857  0.075174  0.287307  1
  Zr  Zr34  1  0.758874  0.238831  0.298475  1
  Zr  Zr35  1  0.697165  0.402652  0.309923  1
  Zr  Zr36  1  0.030498  0.069319  0.309923  1
  Zr  Zr37  1  0.287412  0.811469  0.351816  1
  Zr  Zr38  1  0.954079  0.644803  0.351816  1
  Zr  Zr39  1  0.074411  0.817437  0.325199  1
  Zr  Zr40  1  0.287412  0.311469  0.351816  1
  Zr  Zr41  1  0.407744  0.484104  0.325199  1
  Zr  Zr42  1  0.346876  0.648067  0.337573  1
  Zr  Zr43  1  0.620746  0.478136  0.351816  1
  Zr  Zr44  1  0.741078  0.650770  0.325199  1
  Zr  Zr45  1  0.680210  0.814733  0.337573  1
  Zr  Zr46  1  0.954079  0.144803  0.351816  1
  Zr  Zr47  1  0.074411  0.317437  0.325199  1
  Zr  Zr48  1  0.013543  0.481400  0.337573  1
  Zr  Zr49  1  0.407744  0.984104  0.325199  1
  Zr  Zr50  1  0.346876  0.148067  0.337573  1
  Zr  Zr51  1  0.620746  0.978136  0.351816  1
  Zr  Zr52  1  0.741078  0.150770  0.325199  1
  Zr  Zr53  1  0.680210  0.314733  0.337573  1
  Zr  Zr54  1  0.013543  0.981400  0.337573  1
  Zr  Zr55  1  0.303293  0.900452  0.322950  1
  Zr  Zr56  1  0.969959  0.733785  0.322950  1
  Zr  Zr57  1  0.907629  0.898141  0.335891  1
  Zr  Zr58  1  0.303293  0.400452  0.322950  1
  Zr  Zr59  1  0.240962  0.564807  0.335891  1
  Zr  Zr60  1  0.182142  0.728793  0.350307  1
  Zr  Zr61  1  0.636626  0.567119  0.322950  1
  Zr  Zr62  1  0.574296  0.731474  0.335891  1
  Zr  Zr63  1  0.515475  0.895459  0.350307  1
  Zr  Zr64  1  0.969959  0.233785  0.322950  1
  Zr  Zr65  1  0.907629  0.398141  0.335891  1
  Zr  Zr66  1  0.848808  0.562126  0.350307  1
  Zr  Zr67  1  0.240962  0.064807  0.335891  1
  Zr  Zr68  1  0.182142  0.228793  0.350307  1
  Zr  Zr69  1  0.636626  0.067119  0.322950  1
  Zr  Zr70  1  0.574296  0.231474  0.335891  1
  Zr  Zr71  1  0.515475  0.395459  0.350307  1
  Zr  Zr72  1  0.848808  0.062126  0.350307  1
  Zr  Zr73  1  0.104643  0.804187  0.392225  1
  Zr  Zr74  1  0.771309  0.637520  0.392225  1
  Zr  Zr75  1  0.892269  0.809292  0.365055  1
  Zr  Zr76  1  0.104643  0.304187  0.392225  1
  Zr  Zr77  1  0.225603  0.475958  0.365055  1
  Zr  Zr78  1  0.165707  0.639723  0.378245  1
  Zr  Zr79  1  0.437976  0.470853  0.392225  1
  Zr  Zr80  1  0.558936  0.642625  0.365055  1
  Zr  Zr81  1  0.499040  0.806390  0.378245  1
  Zr  Zr82  1  0.771309  0.137520  0.392225  1
  Zr  Zr83  1  0.892269  0.309292  0.365055  1
  Zr  Zr84  1  0.832374  0.473057  0.378245  1
  Zr  Zr85  1  0.225603  0.975958  0.365055  1
  Zr  Zr86  1  0.165707  0.139723  0.378245  1
  Zr  Zr87  1  0.437976  0.970853  0.392225  1
  Zr  Zr88  1  0.558936  0.142625  0.365055  1
  Zr  Zr89  1  0.499040  0.306390  0.378245  1
  Zr  Zr90  1  0.832374  0.973057  0.378245  1
  Zr  Zr91  1  0.121708  0.893228  0.363065  1
  Zr  Zr92  1  0.788375  0.726562  0.363065  1
  Zr  Zr93  1  0.728891  0.890107  0.376313  1
  Zr  Zr94  1  0.121708  0.393228  0.363065  1
  Zr  Zr95  1  0.062224  0.556774  0.376313  1
  Zr  Zr96  1  1.001621  0.721081  0.390104  1
  Zr  Zr97  1  0.455041  0.559895  0.363065  1
  Zr  Zr98  1  0.395557  0.723440  0.376313  1
  Zr  Zr99  1  0.334954  0.887748  0.390104  1
  Zr  Zr100  1  0.788375  0.226562  0.363065  1
  Zr  Zr101  1  0.728891  0.390107  0.376313  1
  Zr  Zr102  1  0.668287  0.554414  0.390104  1
  Zr  Zr103  1  0.062224  0.056774  0.376313  1
  Zr  Zr104  1  1.001621  0.221081  0.390104  1
  Zr  Zr105  1  0.455041  0.059895  0.363065  1
  Zr  Zr106  1  0.395557  0.223440  0.376313  1
  Zr  Zr107  1  0.334954  0.387748  0.390104  1
  Zr  Zr108  1  0.668287  0.054414  0.390104  1
  Zr  Zr109  1  0.923117  0.796426  0.432250  1
  Zr  Zr110  1  0.589784  0.629759  0.432250  1
  Zr  Zr111  1  0.710698  0.801560  0.405359  1
  Zr  Zr112  1  0.923117  0.296426  0.432250  1
  Zr  Zr113  1  0.044031  0.468226  0.405359  1
  Zr  Zr114  1  0.983917  0.632193  0.418798  1
  Zr  Zr115  1  0.256451  0.463093  0.432250  1
  Zr  Zr116  1  0.377365  0.634893  0.405359  1
  Zr  Zr117  1  0.317250  0.798860  0.418798  1
  Zr  Zr118  1  0.589784  0.129759  0.432250  1
  Zr  Zr119  1  0.710698  0.301560  0.405359  1
  Zr  Zr120  1  0.650584  0.465527  0.418798  1
  Zr  Zr121  1  0.044031  0.968226  0.405359  1
  Zr  Zr122  1  0.983917  0.132193  0.418798  1
  Zr  Zr123  1  0.256451  0.963093  0.432250  1
  Zr  Zr124  1  0.377365  0.134893  0.405359  1
  Zr  Zr125  1  0.317250  0.298860  0.418798  1
  Zr  Zr126  1  0.650584  0.965527  0.418798  1
  Zr  Zr127  1  0.941355  0.885268  0.403350  1
  Zr  Zr128  1  0.608022  0.718602  0.403350  1
  Zr  Zr129  1  0.547732  0.882594  0.416883  1
  Zr  Zr130  1  0.941355  0.385268  0.403350  1
  Zr  Zr131  1  0.881065  0.549261  0.416883  1
  Zr  Zr132  1  0.820525  0.713510  0.430165  1
  Zr  Zr133  1  0.274688  0.551935  0.403350  1
  Zr  Zr134  1  0.214398  0.715928  0.416883  1
  Zr  Zr135  1  0.153859  0.880177  0.430165  1
  Zr  Zr136  1  0.608022  0.218602  0.403350  1
  Zr  Zr137  1  0.547732  0.382594  0.416883  1
  Zr  Zr138  1  0.487192  0.546844  0.430165  1
  Zr  Zr139  1  0.881065  0.049261  0.416883  1
  Zr  Zr140  1  0.820525  0.213510  0.430165  1
  Zr  Zr141  1  0.274688  0.051935  0.403350  1
  Zr  Zr142  1  0.214398  0.215928  0.416883  1
  Zr  Zr143  1  0.153859  0.380177  0.430165  1
  Zr  Zr144  1  0.487192  0.046844  0.430165  1
  Zr  Zr145  1  0.741801  0.788766  0.472482  1
  Zr  Zr146  1  0.408468  0.622099  0.472482  1
  Zr  Zr147  1  0.529402  0.793830  0.445598  1
  Zr  Zr148  1  0.741801  0.288766  0.472482  1
  Zr  Zr149  1  0.862735  0.460497  0.445598  1
  Zr  Zr150  1  0.802353  0.624631  0.459136  1
  Zr  Zr151  1  0.075134  0.455432  0.472482  1
  Zr  Zr152  1  0.196069  0.627163  0.445598  1
  Zr  Zr153  1  0.135687  0.791297  0.459136  1
  Zr  Zr154  1  0.408468  0.122099  0.472482  1
  Zr  Zr155  1  0.529402  0.293830  0.445598  1
  Zr  Zr156  1  0.469020  0.457964  0.459136  1
  Zr  Zr157  1  0.862735  0.960497  0.445598  1
  Zr  Zr158  1  0.802353  0.124631  0.459136  1
  Zr  Zr159  1  0.075134  0.955432  0.472482  1
  Zr  Zr160  1  0.196069  0.127163  0.445598  1
  Zr  Zr161  1  0.135687  0.291297  0.459136  1
  Zr  Zr162  1  0.469020  0.957964  0.459136  1
  Zr  Zr163  1  0.760122  0.877559  0.443545  1
  Zr  Zr164  1  0.426789  0.710892  0.443545  1
  Zr  Zr165  1  0.366305  0.874995  0.457050  1
  Zr  Zr166  1  0.760122  0.377559  0.443545  1
  Zr  Zr167  1  0.699638  0.541662  0.457050  1
  Zr  Zr168  1  0.639173  0.705818  0.470419  1
  Zr  Zr169  1  0.093456  0.544226  0.443545  1
  Zr  Zr170  1  0.032971  0.708328  0.457050  1
  Zr  Zr171  1  0.972506  0.872484  0.470419  1
  Zr  Zr172  1  0.426789  0.210892  0.443545  1
  Zr  Zr173  1  0.366305  0.374995  0.457050  1
  Zr  Zr174  1  0.305840  0.539151  0.470419  1
  Zr  Zr175  1  0.699638  0.041662  0.457050  1
  Zr  Zr176  1  0.639173  0.205818  0.470419  1
  Zr  Zr177  1  0.093456  0.044226  0.443545  1
  Zr  Zr178  1  0.032971  0.208328  0.457050  1
  Zr  Zr179  1  0.972506  0.372484  0.470419  1
  Zr  Zr180  1  0.305840  0.039151  0.470419  1
  Zr  Zr181  1  0.560428  0.781115  0.512713  1
  Zr  Zr182  1  0.227095  0.614449  0.512713  1
  Zr  Zr183  1  0.348076  0.786176  0.485915  1
  Zr  Zr184  1  0.560428  0.281115  0.512713  1
  Zr  Zr185  1  0.681410  0.452843  0.485915  1
  Zr  Zr186  1  0.620912  0.616974  0.499333  1
  Zr  Zr187  1  0.893761  0.447782  0.512713  1
  Zr  Zr188  1  0.014743  0.619510  0.485915  1
  Zr  Zr189  1  0.954246  0.783641  0.499333  1
  Zr  Zr190  1  0.227095  0.114449  0.512713  1
  Zr  Zr191  1  0.348076  0.286176  0.485915  1
  Zr  Zr192  1  0.287579  0.450307  0.499333  1
  Zr  Zr193  1  0.681410  0.952843  0.485915  1
  Zr  Zr194  1  0.620912  0.116974  0.499333  1
  Zr  Zr195  1  0.893761  0.947782  0.512713  1
  Zr  Zr196  1  0.014743  0.119510  0.485915  1
  Zr  Zr197  1  0.954246  0.283641  0.499333  1
  Zr  Zr198  1  0.287579  0.950307  0.499333  1
  Zr  Zr199  1  0.578781  0.869904  0.483882  1
  Zr  Zr200  1  0.245448  0.703237  0.483882  1
  Zr  Zr201  1  0.184964  0.867378  0.497261  1
  Zr  Zr202  1  0.578781  0.369904  0.483882  1
  Zr  Zr203  1  0.518297  0.534045  0.497261  1
  Zr  Zr204  1  0.457800  0.698176  0.510680  1
  Zr  Zr205  1  0.912115  0.536570  0.483882  1
  Zr  Zr206  1  0.851631  0.700712  0.497261  1
  Zr  Zr207  1  0.791133  0.864843  0.510680  1
  Zr  Zr208  1  0.245448  0.203237  0.483882  1
  Zr  Zr209  1  0.184964  0.367378  0.497261  1
  Zr  Zr210  1  0.124467  0.531509  0.510680  1
  Zr  Zr211  1  0.518297  0.034045  0.497261  1
  Zr  Zr212  1  0.457800  0.198176  0.510680  1
  Zr  Zr213  1  0.912115  0.036570  0.483882  1
  Zr  Zr214  1  0.851631  0.200712  0.497261  1
  Zr  Zr215  1  0.791133  0.364843  0.510680  1
  Zr  Zr216  1  0.124467  0.031509  0.510680  1
  Zr  Zr217  1  0.379087  0.773460  0.553050  1
  Zr  Zr218  1  0.045754  0.606793  0.553050  1
  Zr  Zr219  1  0.166703  0.778535  0.526175  1
  Zr  Zr220  1  0.379087  0.273460  0.553050  1
  Zr  Zr221  1  0.500036  0.445201  0.526175  1
  Zr  Zr222  1  0.439571  0.609357  0.539545  1
  Zr  Zr223  1  0.712421  0.440127  0.553050  1
  Zr  Zr224  1  0.833370  0.611868  0.526175  1
  Zr  Zr225  1  0.772905  0.776024  0.539545  1
  Zr  Zr226  1  0.045754  0.106793  0.553050  1
  Zr  Zr227  1  0.166703  0.278535  0.526175  1
  Zr  Zr228  1  0.106238  0.442691  0.539545  1
  Zr  Zr229  1  0.500036  0.945201  0.526175  1
  Zr  Zr230  1  0.439571  0.109357  0.539545  1
  Zr  Zr231  1  0.712421  0.940127  0.553050  1
  Zr  Zr232  1  0.833370  0.111868  0.526175  1
  Zr  Zr233  1  0.772905  0.276024  0.539545  1
  Zr  Zr234  1  0.106238  0.942691  0.539545  1
  Zr  Zr235  1  0.397408  0.862253  0.524113  1
  Zr  Zr236  1  0.064075  0.695587  0.524113  1
  Zr  Zr237  1  1.003523  0.859722  0.537459  1
  Zr  Zr238  1  0.397408  0.362253  0.524113  1
  Zr  Zr239  1  0.336856  0.526388  0.537459  1
  Zr  Zr240  1  0.276474  0.690522  0.550996  1
  Zr  Zr241  1  0.730742  0.528920  0.524113  1
  Zr  Zr242  1  0.670189  0.693055  0.537459  1
  Zr  Zr243  1  0.609807  0.857189  0.550996  1
  Zr  Zr244  1  0.064075  0.195587  0.524113  1
  Zr  Zr245  1  1.003523  0.359722  0.537459  1
  Zr  Zr246  1  0.943141  0.523856  0.550996  1
  Zr  Zr247  1  0.336856  0.026388  0.537459  1
  Zr  Zr248  1  0.276474  0.190522  0.550996  1
  Zr  Zr249  1  0.730742  0.028920  0.524113  1
  Zr  Zr250  1  0.670189  0.193055  0.537459  1
  Zr  Zr251  1  0.609807  0.357189  0.550996  1
  Zr  Zr252  1  0.943141  0.023856  0.550996  1
  Zr  Zr253  1  0.197854  0.765751  0.593245  1
  Zr  Zr254  1  0.864521  0.599084  0.593245  1
  Zr  Zr255  1  0.985351  0.770842  0.566429  1
  Zr  Zr256  1  0.197854  0.265751  0.593245  1
  Zr  Zr257  1  0.318684  0.437509  0.566429  1
  Zr  Zr258  1  0.258145  0.601758  0.579712  1
  Zr  Zr259  1  0.531188  0.432417  0.593245  1
  Zr  Zr260  1  0.652017  0.604175  0.566429  1
  Zr  Zr261  1  0.591478  0.768425  0.579712  1
  Zr  Zr262  1  0.864521  0.099084  0.593245  1
  Zr  Zr263  1  0.985351  0.270842  0.566429  1
  Zr  Zr264  1  0.924811  0.435091  0.579712  1
  Zr  Zr265  1  0.318684  0.937509  0.566429  1
  Zr  Zr266  1  0.258145  0.101758  0.579712  1
  Zr  Zr267  1  0.531188  0.932417  0.593245  1
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  Zr  Zr278  1  0.488626  0.685492  0.577797  1
  Zr  Zr279  1  0.428511  0.849459  0.591236  1
  Zr  Zr280  1  0.882759  0.187926  0.564344  1
  Zr  Zr281  1  0.821959  0.352159  0.577797  1
  Zr  Zr282  1  0.761845  0.516126  0.591236  1
  Zr  Zr283  1  0.155292  0.018826  0.577797  1
  Zr  Zr284  1  0.095178  0.182793  0.591236  1
  Zr  Zr285  1  0.549425  0.021259  0.564344  1
  Zr  Zr286  1  0.488626  0.185492  0.577797  1
  Zr  Zr287  1  0.428511  0.349459  0.591236  1
  Zr  Zr288  1  0.761845  0.016126  0.591236  1
  Zr  Zr289  1  0.017501  0.757791  0.633530  1
  Zr  Zr290  1  0.684168  0.591124  0.633530  1
  Zr  Zr291  1  0.804255  0.763271  0.606490  1
  Zr  Zr292  1  0.017501  0.257791  0.633530  1
  Zr  Zr293  1  0.137589  0.429938  0.606490  1
  Zr  Zr294  1  0.076986  0.594245  0.620282  1
  Zr  Zr295  1  0.350835  0.424457  0.633530  1
  Zr  Zr296  1  0.470922  0.596605  0.606490  1
  Zr  Zr297  1  0.410319  0.760912  0.620282  1
  Zr  Zr298  1  0.684168  0.091124  0.633530  1
  Zr  Zr299  1  0.804255  0.263271  0.606490  1
  Zr  Zr300  1  0.743652  0.427579  0.620282  1
  Zr  Zr301  1  0.137589  0.929938  0.606490  1
  Zr  Zr302  1  0.076986  0.094245  0.620282  1
  Zr  Zr303  1  0.350835  0.924457  0.633530  1
  Zr  Zr304  1  0.470922  0.096605  0.606490  1
  Zr  Zr305  1  0.410319  0.260912  0.620282  1
  Zr  Zr306  1  0.743652  0.927579  0.620282  1
  Zr  Zr307  1  0.034567  0.846832  0.604370  1
  Zr  Zr308  1  0.701233  0.680166  0.604370  1
  Zr  Zr309  1  0.640169  0.844629  0.618350  1
  Zr  Zr310  1  0.034567  0.346832  0.604370  1
  Zr  Zr311  1  0.973503  0.511296  0.618350  1
  Zr  Zr312  1  0.913607  0.675061  0.631540  1
  Zr  Zr313  1  0.367900  0.513499  0.604370  1
  Zr  Zr314  1  0.306836  0.677962  0.618350  1
  Zr  Zr315  1  0.246940  0.841727  0.631540  1
  Zr  Zr316  1  0.701233  0.180166  0.604370  1
  Zr  Zr317  1  0.640169  0.344629  0.618350  1
  Zr  Zr318  1  0.580273  0.508394  0.631540  1
  Zr  Zr319  1  0.973503  0.011296  0.618350  1
  Zr  Zr320  1  0.913607  0.175061  0.631540  1
  Zr  Zr321  1  0.367900  0.013499  0.604370  1
  Zr  Zr322  1  0.306836  0.177962  0.618350  1
  Zr  Zr323  1  0.246940  0.341727  0.631540  1
  Zr  Zr324  1  0.580273  0.008394  0.631540  1
  Zr  Zr325  1  0.835917  0.750567  0.673645  1
  Zr  Zr326  1  0.502583  0.583900  0.673645  1
  Zr  Zr327  1  0.623735  0.755560  0.646288  1
  Zr  Zr328  1  0.835917  0.250567  0.673645  1
  Zr  Zr329  1  0.957068  0.422226  0.646288  1
  Zr  Zr330  1  0.898247  0.586212  0.660704  1
  Zr  Zr331  1  0.169250  0.417234  0.673645  1
  Zr  Zr332  1  0.290401  0.588893  0.646288  1
  Zr  Zr333  1  0.231580  0.752878  0.660704  1
  Zr  Zr334  1  0.502583  0.083900  0.673645  1
  Zr  Zr335  1  0.623735  0.255560  0.646288  1
  Zr  Zr336  1  0.564914  0.419545  0.660704  1
  Zr  Zr337  1  0.957068  0.922226  0.646288  1
  Zr  Zr338  1  0.898247  0.086212  0.660704  1
  Zr  Zr339  1  0.169250  0.917234  0.673645  1
  Zr  Zr340  1  0.290401  0.088893  0.646288  1
  Zr  Zr341  1  0.231580  0.252878  0.660704  1
  Zr  Zr342  1  0.564914  0.919545  0.660704  1
  Zr  Zr343  1  0.851797  0.839550  0.644779  1
  Zr  Zr344  1  0.518464  0.672883  0.644779  1
  Zr  Zr345  1  0.459000  0.836286  0.659022  1
  Zr  Zr346  1  0.851797  0.339550  0.644779  1
  Zr  Zr347  1  0.792333  0.502952  0.659022  1
  Zr  Zr348  1  0.731465  0.666915  0.671396  1
  Zr  Zr349  1  0.185130  0.506216  0.644779  1
  Zr  Zr350  1  0.125666  0.669619  0.659022  1
  Zr  Zr351  1  0.064798  0.833582  0.671396  1
  Zr  Zr352  1  0.518464  0.172883  0.644779  1
  Zr  Zr353  1  0.459000  0.336286  0.659022  1
  Zr  Zr354  1  0.398132  0.500249  0.671396  1
  Zr  Zr355  1  0.792333  1.002952  0.659022  1
  Zr  Zr356  1  0.731465  0.166915  0.671396  1
  Zr  Zr357  1  0.185130  0.006216  0.644779  1
  Zr  Zr358  1  0.125666  0.169619  0.659022  1
  Zr  Zr359  1  0.064798  0.333582  0.671396  1
  Zr  Zr360  1  0.398132  1.000249  0.671396  1
  Zr  Zr361  1  0.651686  0.742511  0.709287  1
  Zr  Zr362  1  0.318353  0.575845  0.709287  1
  Zr  Zr363  1  0.442044  0.748367  0.686672  1
  Zr  Zr364  1  0.651686  0.242511  0.709287  1
  Zr  Zr365  1  0.775378  0.415034  0.686672  1
  Zr  Zr366  1  0.713669  0.578855  0.698120  1
  Zr  Zr367  1  0.985019  0.409178  0.709287  1
  Zr  Zr368  1  0.108711  0.581700  0.686672  1
  Zr  Zr369  1  0.047002  0.745522  0.698120  1
  Zr  Zr370  1  0.318353  0.075845  0.709287  1
  Zr  Zr371  1  0.442044  0.248367  0.686672  1
  Zr  Zr372  1  0.380336  0.412188  0.698120  1
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  Zr  Zr377  1  0.047002  0.245522  0.698120  1
  Zr  Zr378  1  0.380336  0.912188  0.698120  1
  Zr  Zr379  1  0.669630  0.832091  0.684722  1
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  Zr  Zr385  1  1.002963  0.498757  0.684722  1
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  Zr  Zr393  1  1.002963  0.998757  0.684722  1
  Zr  Zr394  1  0.942810  0.163283  0.696151  1
  Zr  Zr395  1  0.883338  0.326579  0.708211  1
  Zr  Zr396  1  0.216671  0.993246  0.708211  1
