# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.96425208
_cell_length_b   22.17247883
_cell_length_c   48.74201076
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr288
_cell_volume   13793.6357545
_cell_formula_units_Z   288
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  0.202980  0.804701  0.278941  1
  Zr  Zr2  1  0.716858  0.583770  0.320643  1
  Zr  Zr3  1  0.820311  0.786873  0.295150  1
  Zr  Zr4  1  0.052003  0.244095  0.324563  1
  Zr  Zr5  1  0.149446  0.440446  0.263569  1
  Zr  Zr6  1  0.099538  0.584663  0.279460  1
  Zr  Zr7  1  0.537465  0.449765  0.250497  1
  Zr  Zr8  1  0.513508  0.593856  0.271807  1
  Zr  Zr9  1  0.420957  0.769667  0.308668  1
  Zr  Zr10  1  0.863844  0.133149  0.248391  1
  Zr  Zr11  1  0.805783  0.283503  0.261099  1
  Zr  Zr12  1  0.755952  0.433728  0.279667  1
  Zr  Zr13  1  0.154704  0.947491  0.292776  1
  Zr  Zr14  1  0.096717  0.097439  0.306741  1
  Zr  Zr15  1  0.532792  0.973946  0.276751  1
  Zr  Zr16  1  0.486618  0.113303  0.291690  1
  Zr  Zr17  1  0.440006  0.256431  0.308745  1
  Zr  Zr18  1  0.755475  0.936616  0.307321  1
  Zr  Zr19  1  0.036603  0.720445  0.264657  1
  Zr  Zr20  1  0.552497  0.487303  0.311818  1
  Zr  Zr21  1  0.644499  0.697554  0.280479  1
  Zr  Zr22  1  0.035287  0.209471  0.263320  1
  Zr  Zr23  1  0.987844  0.353601  0.278438  1
  Zr  Zr24  1  0.938210  0.500719  0.295046  1
  Zr  Zr25  1  0.376632  0.365215  0.264389  1
  Zr  Zr26  1  0.332644  0.513859  0.279925  1
  Zr  Zr27  1  0.271862  0.664390  0.294337  1
  Zr  Zr28  1  0.703547  0.050010  0.262140  1
  Zr  Zr29  1  0.648972  0.197217  0.276116  1
  Zr  Zr30  1  0.600644  0.343049  0.293253  1
  Zr  Zr31  1  0.971949  0.870349  0.278043  1
  Zr  Zr32  1  0.923105  0.021855  0.290875  1
  Zr  Zr33  1  0.369604  0.884171  0.263350  1
  Zr  Zr34  1  0.302700  0.036084  0.276422  1
  Zr  Zr35  1  0.256678  0.186570  0.290420  1
  Zr  Zr36  1  0.590983  0.842484  0.295985  1
  Zr  Zr37  1  0.053288  0.757716  0.323390  1
  Zr  Zr38  1  0.575530  0.531182  0.371291  1
  Zr  Zr39  1  0.666205  0.732807  0.339998  1
  Zr  Zr40  1  0.889478  0.210205  0.368880  1
  Zr  Zr41  1  0.009090  0.392050  0.340397  1
  Zr  Zr42  1  0.947969  0.544239  0.355724  1
  Zr  Zr43  1  0.390470  0.403681  0.324866  1
  Zr  Zr44  1  0.343347  0.555248  0.341318  1
  Zr  Zr45  1  0.280951  0.709325  0.356236  1
  Zr  Zr46  1  0.714594  0.087555  0.322144  1
  Zr  Zr47  1  0.664349  0.235492  0.338525  1
  Zr  Zr48  1  0.616363  0.380833  0.355934  1
  Zr  Zr49  1  0.987965  0.911586  0.337626  1
  Zr  Zr50  1  0.938089  0.061494  0.352668  1
  Zr  Zr51  1  0.382653  0.924249  0.322497  1
  Zr  Zr52  1  0.322639  0.076876  0.336660  1
  Zr  Zr53  1  0.275133  0.224595  0.352789  1
  Zr  Zr54  1  0.610317  0.881581  0.355778  1
  Zr  Zr55  1  0.892573  0.654370  0.309182  1
  Zr  Zr56  1  0.409393  0.446930  0.386330  1
  Zr  Zr57  1  0.494664  0.641138  0.329392  1
  Zr  Zr58  1  0.870062  0.173602  0.307157  1
  Zr  Zr59  1  0.825497  0.319332  0.322357  1
  Zr  Zr60  1  0.783161  0.457870  0.342266  1
  Zr  Zr61  1  0.208256  0.331772  0.306459  1
  Zr  Zr62  1  0.163471  0.478457  0.323963  1
  Zr  Zr63  1  0.115804  0.622946  0.340001  1
  Zr  Zr64  1  0.549955  0.010704  0.337847  1
  Zr  Zr65  1  0.503744  0.152762  0.353967  1
  Zr  Zr66  1  0.456278  0.297687  0.370807  1
  Zr  Zr67  1  0.836357  0.828379  0.354846  1
  Zr  Zr68  1  0.774356  0.977468  0.369330  1
  Zr  Zr69  1  0.217641  0.845257  0.339379  1
  Zr  Zr70  1  0.169167  0.991046  0.353773  1
  Zr  Zr71  1  0.116958  0.136938  0.369603  1
  Zr  Zr72  1  0.440624  0.811261  0.370047  1
  Zr  Zr73  1  0.909216  0.696544  0.370441  1
  Zr  Zr74  1  0.426534  0.487351  0.447992  1
  Zr  Zr75  1  0.512885  0.681410  0.388216  1
  Zr  Zr76  1  0.748753  0.165430  0.446180  1
  Zr  Zr77  1  0.844613  0.354311  0.385604  1
  Zr  Zr78  1  0.799056  0.497858  0.402764  1
  Zr  Zr79  1  0.229846  0.370672  0.369733  1
  Zr  Zr80  1  0.177756  0.517813  0.385819  1
  Zr  Zr81  1  0.132040  0.662934  0.401215  1
  Zr  Zr82  1  0.566583  0.049666  0.399243  1
  Zr  Zr83  1  0.520548  0.192079  0.415765  1
  Zr  Zr84  1  0.473491  0.338425  0.432193  1
  Zr  Zr85  1  0.853040  0.867738  0.415780  1
  Zr  Zr86  1  0.791276  0.016254  0.430832  1
  Zr  Zr87  1  0.233857  0.885094  0.400336  1
  Zr  Zr88  1  0.186347  0.029582  0.415574  1
  Zr  Zr89  1  0.134545  0.175945  0.431573  1
  Zr  Zr90  1  0.457118  0.851111  0.431221  1
  Zr  Zr91  1  0.738500  0.626253  0.384265  1
  Zr  Zr92  1  0.247266  0.410598  0.431388  1
  Zr  Zr93  1  0.360425  0.596425  0.402270  1
  Zr  Zr94  1  0.731170  0.126479  0.384234  1
  Zr  Zr95  1  0.682089  0.273438  0.400889  1
  Zr  Zr96  1  0.633571  0.421309  0.417095  1
  Zr  Zr97  1  0.072069  0.283627  0.386051  1
  Zr  Zr98  1  0.024103  0.432177  0.401927  1
  Zr  Zr99  1  0.965978  0.584004  0.417334  1
  Zr  Zr100  1  0.398323  0.964240  0.383779  1
  Zr  Zr101  1  0.340133  0.115482  0.398867  1
  Zr  Zr102  1  0.292874  0.263044  0.415327  1
  Zr  Zr103  1  0.683596  0.773563  0.401095  1
  Zr  Zr104  1  0.626676  0.920696  0.416495  1
  Zr  Zr105  1  0.067554  0.798560  0.384561  1
  Zr  Zr106  1  0.005229  0.951161  0.399004  1
  Zr  Zr107  1  0.955120  0.100165  0.414564  1
  Zr  Zr108  1  0.297927  0.749540  0.417365  1
  Zr  Zr109  1  0.755990  0.666581  0.446371  1
  Zr  Zr110  1  0.264350  0.450514  0.493031  1
  Zr  Zr111  1  0.377470  0.636365  0.463627  1
  Zr  Zr112  1  0.600139  0.127909  0.520807  1
  Zr  Zr113  1  0.699610  0.313310  0.462553  1
  Zr  Zr114  1  0.650447  0.461232  0.478583  1
  Zr  Zr115  1  0.088924  0.323574  0.447664  1
  Zr  Zr116  1  0.041441  0.472040  0.463542  1
  Zr  Zr117  1  0.983445  0.623512  0.478892  1
  Zr  Zr118  1  0.415352  1.003304  0.445235  1
  Zr  Zr119  1  0.357455  0.154608  0.460900  1
  Zr  Zr120  1  0.310046  0.302956  0.477183  1
  Zr  Zr121  1  0.700173  0.813320  0.462268  1
  Zr  Zr122  1  0.643462  0.959868  0.477719  1
  Zr  Zr123  1  0.084305  0.838228  0.445774  1
  Zr  Zr124  1  0.022070  0.990488  0.460578  1
  Zr  Zr125  1  0.972382  0.139450  0.476511  1
  Zr  Zr126  1  0.315156  0.788790  0.478594  1
  Zr  Zr127  1  0.591846  0.571115  0.432348  1
  Zr  Zr128  1  0.105941  0.363472  0.509375  1
  Zr  Zr129  1  0.195360  0.557784  0.447141  1
  Zr  Zr130  1  0.583469  0.088720  0.460334  1
  Zr  Zr131  1  0.537509  0.232235  0.477099  1
  Zr  Zr132  1  0.490515  0.378439  0.493766  1
  Zr  Zr133  1  0.908166  0.248527  0.430873  1
  Zr  Zr134  1  0.861427  0.394301  0.447308  1
  Zr  Zr135  1  0.815785  0.537438  0.463700  1
  Zr  Zr136  1  0.250643  0.924150  0.461741  1
  Zr  Zr137  1  0.203438  0.068676  0.477197  1
  Zr  Zr138  1  0.151535  0.215772  0.493218  1
  Zr  Zr139  1  0.529898  0.720588  0.448331  1
  Zr  Zr140  1  0.473792  0.890464  0.492553  1
  Zr  Zr141  1  0.926016  0.736213  0.431661  1
  Zr  Zr142  1  0.869962  0.906785  0.477008  1
  Zr  Zr143  1  0.808437  0.055295  0.492225  1
  Zr  Zr144  1  0.148918  0.702548  0.462443  1
  Zr  Zr145  1  0.608622  0.610688  0.493639  1
  Zr  Zr146  1  0.123010  0.403077  0.571257  1
  Zr  Zr147  1  0.212602  0.597333  0.508570  1
  Zr  Zr148  1  0.448808  0.082150  0.567789  1
  Zr  Zr149  1  0.554290  0.272285  0.538410  1
  Zr  Zr150  1  0.507534  0.418187  0.555465  1
  Zr  Zr151  1  0.925327  0.288272  0.492655  1
  Zr  Zr152  1  0.878391  0.434258  0.508858  1
  Zr  Zr153  1  0.832666  0.576895  0.524919  1
  Zr  Zr154  1  0.267558  0.963550  0.523237  1
  Zr  Zr155  1  0.220308  0.108360  0.538610  1
  Zr  Zr156  1  0.168445  0.255535  0.554859  1
  Zr  Zr157  1  0.546890  0.759617  0.509124  1
  Zr  Zr158  1  0.490528  0.929899  0.553790  1
  Zr  Zr159  1  0.942911  0.775521  0.492935  1
  Zr  Zr160  1  0.886963  0.946008  0.538199  1
  Zr  Zr161  1  0.825538  0.094779  0.553430  1
  Zr  Zr162  1  0.165916  0.741774  0.523641  1
  Zr  Zr163  1  0.443613  0.527115  0.509733  1
  Zr  Zr164  1  0.942242  0.328286  0.554391  1
  Zr  Zr165  1  0.058644  0.511658  0.525320  1
  Zr  Zr166  1  0.432293  0.042494  0.506643  1
  Zr  Zr167  1  0.374626  0.194423  0.522576  1
  Zr  Zr168  1  0.327018  0.342914  0.539007  1
  Zr  Zr169  1  0.765751  0.205174  0.507844  1
  Zr  Zr170  1  0.716717  0.353243  0.524259  1
  Zr  Zr171  1  0.667570  0.500910  0.540268  1
  Zr  Zr172  1  0.101407  0.877533  0.507078  1
  Zr  Zr173  1  0.039081  0.029931  0.522120  1
  Zr  Zr174  1  0.989237  0.179352  0.538300  1
  Zr  Zr175  1  0.394543  0.675851  0.525143  1
  Zr  Zr176  1  0.332335  0.828018  0.539829  1
  Zr  Zr177  1  0.773192  0.706294  0.508082  1
  Zr  Zr178  1  0.716843  0.852767  0.523502  1
  Zr  Zr179  1  0.660339  0.999467  0.539063  1
  Zr  Zr180  1  0.000704  0.662849  0.540438  1
  Zr  Zr181  1  0.460708  0.566725  0.571469  1
  Zr  Zr182  1  0.959201  0.368012  0.616329  1
  Zr  Zr183  1  0.075814  0.551216  0.587228  1
  Zr  Zr184  1  0.299543  0.043973  0.646868  1
  Zr  Zr185  1  0.391770  0.234327  0.584190  1
  Zr  Zr186  1  0.344110  0.382680  0.601056  1
  Zr  Zr187  1  0.782478  0.245064  0.569503  1
  Zr  Zr188  1  0.733909  0.392850  0.586164  1
  Zr  Zr189  1  0.684891  0.540470  0.602094  1
  Zr  Zr190  1  0.118777  0.917051  0.568332  1
  Zr  Zr191  1  0.055970  0.069957  0.583500  1
  Zr  Zr192  1  0.005527  0.219690  0.600084  1
  Zr  Zr193  1  0.411637  0.715409  0.586643  1
  Zr  Zr194  1  0.349355  0.867583  0.600985  1
  Zr  Zr195  1  0.790377  0.745885  0.569603  1
  Zr  Zr196  1  0.733541  0.892423  0.584637  1
  Zr  Zr197  1  0.677017  0.039369  0.600370  1
  Zr  Zr198  1  0.017942  0.702221  0.601919  1
  Zr  Zr199  1  0.281354  0.490191  0.554826  1
  Zr  Zr200  1  0.797745  0.284306  0.631533  1
  Zr  Zr201  1  0.895404  0.473980  0.570562  1
  Zr  Zr202  1  0.284390  1.003506  0.584806  1
  Zr  Zr203  1  0.236618  0.148126  0.600080  1
  Zr  Zr204  1  0.186191  0.294835  0.616586  1
  Zr  Zr205  1  0.616682  0.166733  0.580540  1
  Zr  Zr206  1  0.570925  0.312073  0.599889  1
  Zr  Zr207  1  0.524437  0.458004  0.617097  1
  Zr  Zr208  1  0.959861  0.814834  0.554097  1
  Zr  Zr209  1  0.904095  0.985580  0.599180  1
  Zr  Zr210  1  0.842695  0.134451  0.614552  1
  Zr  Zr211  1  0.229803  0.636671  0.570109  1
  Zr  Zr212  1  0.183028  0.780903  0.584707  1
  Zr  Zr213  1  0.625624  0.650175  0.555086  1
  Zr  Zr214  1  0.563887  0.798928  0.570253  1
  Zr  Zr215  1  0.506662  0.969659  0.614672  1
  Zr  Zr216  1  0.849574  0.616346  0.586314  1
  Zr  Zr217  1  0.298469  0.529769  0.616789  1
  Zr  Zr218  1  0.815288  0.324819  0.693548  1
  Zr  Zr219  1  0.912396  0.513804  0.632416  1
  Zr  Zr220  1  0.149608  1.000440  0.692232  1
  Zr  Zr221  1  0.254265  0.187001  0.662036  1
  Zr  Zr222  1  0.206112  0.333536  0.678125  1
  Zr  Zr223  1  0.632531  0.204130  0.639239  1
  Zr  Zr224  1  0.584901  0.352820  0.661309  1
  Zr  Zr225  1  0.544628  0.495753  0.678605  1
  Zr  Zr226  1  0.977244  0.854371  0.614849  1
  Zr  Zr227  1  0.921907  0.025253  0.659891  1
  Zr  Zr228  1  0.860078  0.172793  0.676020  1
  Zr  Zr229  1  0.246907  0.675999  0.631735  1
  Zr  Zr230  1  0.200801  0.820700  0.645419  1
  Zr  Zr231  1  0.642832  0.690112  0.616600  1
  Zr  Zr232  1  0.580574  0.839025  0.631502  1
  Zr  Zr233  1  0.521168  0.012209  0.674203  1
  Zr  Zr234  1  0.866284  0.656467  0.647672  1
  Zr  Zr235  1  0.140098  0.442485  0.633200  1
  Zr  Zr236  1  0.652741  0.243424  0.695474  1
  Zr  Zr237  1  0.752717  0.431727  0.648207  1
  Zr  Zr238  1  0.136376  0.957732  0.629436  1
  Zr  Zr239  1  0.072380  0.110416  0.644917  1
  Zr  Zr240  1  0.021209  0.260917  0.661837  1
  Zr  Zr241  1  0.464285  0.122291  0.628607  1
  Zr  Zr242  1  0.409639  0.273979  0.646063  1
  Zr  Zr243  1  0.360005  0.421830  0.663538  1
  Zr  Zr244  1  0.807334  0.786132  0.630876  1
  Zr  Zr245  1  0.751140  0.932556  0.645593  1
  Zr  Zr246  1  0.695161  0.078879  0.661527  1
  Zr  Zr247  1  0.093298  0.590577  0.649367  1
  Zr  Zr248  1  0.034053  0.742332  0.663312  1
  Zr  Zr249  1  0.477825  0.606439  0.633078  1
  Zr  Zr250  1  0.429902  0.754953  0.648072  1
  Zr  Zr251  1  0.363773  0.907987  0.662236  1
  Zr  Zr252  1  0.700657  0.581187  0.663878  1
  Zr  Zr253  1  0.156702  0.482828  0.695575  1
  Zr  Zr254  1  0.631362  0.259580  0.754091  1
  Zr  Zr255  1  0.767551  0.472254  0.709950  1
  Zr  Zr256  1  -0.003823  0.928122  0.733400  1
  Zr  Zr257  1  0.084850  0.153610  0.705994  1
  Zr  Zr258  1  0.034117  0.301406  0.722924  1
  Zr  Zr259  1  0.484128  0.161789  0.689489  1
  Zr  Zr260  1  0.431236  0.308627  0.710565  1
  Zr  Zr261  1  0.378051  0.459154  0.723966  1
  Zr  Zr262  1  0.828440  0.828302  0.691623  1
  Zr  Zr263  1  0.770141  0.974279  0.706535  1
  Zr  Zr264  1  0.701470  0.121475  0.723341  1
  Zr  Zr265  1  0.113157  0.632421  0.709737  1
  Zr  Zr266  1  0.047744  0.783871  0.723197  1
  Zr  Zr267  1  0.493665  0.646508  0.694932  1
  Zr  Zr268  1  0.446785  0.796770  0.707707  1
  Zr  Zr269  1  0.383443  0.946595  0.721644  1
  Zr  Zr270  1  0.711665  0.619449  0.723966  1
  Zr  Zr271  1  0.979389  0.410040  0.678733  1
  Zr  Zr272  1  0.471181  0.174330  0.749730  1
  Zr  Zr273  1  0.609339  0.386429  0.723871  1
  Zr  Zr274  1  -0.001734  0.895132  0.674476  1
  Zr  Zr275  1  0.933229  0.065329  0.720013  1
  Zr  Zr276  1  0.865897  0.215298  0.736083  1
  Zr  Zr277  1  0.322163  0.085621  0.709855  1
  Zr  Zr278  1  0.262330  0.229479  0.722830  1
  Zr  Zr279  1  0.213282  0.375164  0.737359  1
  Zr  Zr280  1  0.662417  0.732567  0.678773  1
  Zr  Zr281  1  0.597463  0.883395  0.691944  1
  Zr  Zr282  1  0.548064  0.033660  0.733908  1
  Zr  Zr283  1  0.927748  0.555891  0.694215  1
  Zr  Zr284  1  0.882884  0.694787  0.708829  1
  Zr  Zr285  1  0.319175  0.570914  0.679202  1
  Zr  Zr286  1  0.262375  0.719970  0.692623  1
  Zr  Zr287  1  0.214389  0.861666  0.706736  1
  Zr  Zr288  1  0.551459  0.536097  0.737419  1
