# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.67147700
_cell_length_b   13.46334129
_cell_length_c   48.23249196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.74180585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr288
_cell_volume   13889.4964462
_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  0.685966  0.996767  0.298308  1
  Zr  Zr2  1  0.182292  0.999383  0.299601  1
  Zr  Zr3  1  0.325192  0.935898  0.314266  1
  Zr  Zr4  1  0.518746  0.658527  0.298307  1
  Zr  Zr5  1  0.542222  0.056641  0.285099  1
  Zr  Zr6  1  0.659322  0.600863  0.313685  1
  Zr  Zr7  1  0.827124  0.934336  0.319886  1
  Zr  Zr8  1  0.019988  0.658816  0.297799  1
  Zr  Zr9  1  0.041663  0.057725  0.284989  1
  Zr  Zr10  1  0.158946  0.599845  0.318990  1
  Zr  Zr11  1  0.347200  0.332618  0.299674  1
  Zr  Zr12  1  0.375312  0.723681  0.285103  1
  Zr  Zr13  1  0.561834  0.453178  0.260965  1
  Zr  Zr14  1  0.704288  0.394548  0.283793  1
  Zr  Zr15  1  0.848020  0.331949  0.299612  1
  Zr  Zr16  1  0.872912  0.729591  0.283515  1
  Zr  Zr17  1  0.061617  0.456914  0.258873  1
  Zr  Zr18  1  0.201964  0.400020  0.283565  1
  Zr  Zr19  1  0.622214  0.229678  0.283649  1
  Zr  Zr20  1  0.121449  0.230968  0.283845  1
  Zr  Zr21  1  0.264472  0.167006  0.299575  1
  Zr  Zr22  1  0.458548  0.890055  0.285080  1
  Zr  Zr23  1  0.409173  0.103607  0.314112  1
  Zr  Zr24  1  0.600322  0.830188  0.299630  1
  Zr  Zr25  1  0.767362  0.161067  0.298153  1
  Zr  Zr26  1  0.955703  0.892965  0.283726  1
  Zr  Zr27  1  0.908139  0.100879  0.313302  1
  Zr  Zr28  1  0.100000  0.827591  0.298422  1
  Zr  Zr29  1  0.288322  0.560712  0.284112  1
  Zr  Zr30  1  0.240707  0.767287  0.313671  1
  Zr  Zr31  1  0.434380  0.495622  0.298556  1
  Zr  Zr32  1  0.577047  0.434509  0.319977  1
  Zr  Zr33  1  0.792012  0.557692  0.285002  1
  Zr  Zr34  1  0.815174  0.956579  0.260954  1
  Zr  Zr35  1  0.935069  0.497054  0.298542  1
  Zr  Zr36  1  0.146457  0.625393  0.259039  1
  Zr  Zr37  1  0.657474  0.894589  0.358037  1
  Zr  Zr38  1  0.156524  0.894069  0.358140  1
  Zr  Zr39  1  0.299530  0.832598  0.373202  1
  Zr  Zr40  1  0.488338  0.563203  0.359044  1
  Zr  Zr41  1  0.514465  0.956093  0.343192  1
  Zr  Zr42  1  0.633386  0.500311  0.374784  1
  Zr  Zr43  1  0.799882  0.831043  0.374719  1
  Zr  Zr44  1  0.989668  0.562022  0.359378  1
  Zr  Zr45  1  0.014328  0.955666  0.342678  1
  Zr  Zr46  1  0.133024  0.498788  0.376149  1
  Zr  Zr47  1  0.324569  0.226170  0.358800  1
  Zr  Zr48  1  0.347057  0.621594  0.342814  1
  Zr  Zr49  1  0.493027  0.272016  0.313496  1
  Zr  Zr50  1  0.683532  0.286276  0.343013  1
  Zr  Zr51  1  0.824768  0.225990  0.358278  1
  Zr  Zr52  1  0.848246  0.622644  0.342668  1
  Zr  Zr53  1  0.992453  0.271013  0.313720  1
  Zr  Zr54  1  0.182108  0.288188  0.343907  1
  Zr  Zr55  1  0.598200  0.123114  0.342557  1
  Zr  Zr56  1  0.097376  0.124067  0.343140  1
  Zr  Zr57  1  0.240303  0.060364  0.358619  1
  Zr  Zr58  1  0.431464  0.788107  0.342699  1
  Zr  Zr59  1  0.383048  0.998844  0.373392  1
  Zr  Zr60  1  0.573993  0.726787  0.358069  1
  Zr  Zr61  1  0.739397  0.062337  0.359257  1
  Zr  Zr62  1  0.933817  0.785428  0.342554  1
  Zr  Zr63  1  0.884179  0.999039  0.374697  1
  Zr  Zr64  1  0.072992  0.728448  0.359303  1
  Zr  Zr65  1  0.265052  0.453808  0.344022  1
  Zr  Zr66  1  0.216772  0.667060  0.374764  1
  Zr  Zr67  1  0.407687  0.393562  0.358437  1
  Zr  Zr68  1  0.549599  0.331330  0.374757  1
  Zr  Zr69  1  0.763917  0.456138  0.343313  1
  Zr  Zr70  1  0.743793  0.771056  0.313575  1
  Zr  Zr71  1  0.906939  0.394719  0.358145  1
  Zr  Zr72  1  0.076750  0.435696  0.318931  1
  Zr  Zr73  1  0.630774  0.791524  0.417437  1
  Zr  Zr74  1  0.130356  0.792024  0.418346  1
  Zr  Zr75  1  0.272974  0.730989  0.433232  1
  Zr  Zr76  1  0.463865  0.458801  0.418160  1
  Zr  Zr77  1  0.488327  0.852448  0.402403  1
  Zr  Zr78  1  0.606345  0.397473  0.433428  1
  Zr  Zr79  1  0.772856  0.730086  0.433055  1
  Zr  Zr80  1  0.963588  0.458441  0.418259  1
  Zr  Zr81  1  0.988188  0.852718  0.402975  1
  Zr  Zr82  1  0.106117  0.396386  0.433766  1
  Zr  Zr83  1  0.297331  0.124374  0.417903  1
  Zr  Zr84  1  0.321955  0.519077  0.402970  1
  Zr  Zr85  1  0.466785  0.165826  0.373265  1
  Zr  Zr86  1  0.654842  0.186525  0.403015  1
  Zr  Zr87  1  0.797350  0.125243  0.418078  1
  Zr  Zr88  1  0.821615  0.520123  0.402507  1
  Zr  Zr89  1  0.966180  0.165708  0.373188  1
  Zr  Zr90  1  0.154929  0.185612  0.403092  1
  Zr  Zr91  1  0.571935  0.019695  0.402419  1
  Zr  Zr92  1  0.071240  0.019394  0.402504  1
  Zr  Zr93  1  0.213819  0.957604  0.417784  1
  Zr  Zr94  1  0.403874  0.687196  0.402781  1
  Zr  Zr95  1  0.356209  0.897476  0.432761  1
  Zr  Zr96  1  0.546727  0.625919  0.418020  1
  Zr  Zr97  1  0.713853  0.958253  0.418056  1
  Zr  Zr98  1  0.904981  0.686537  0.402982  1
  Zr  Zr99  1  0.856196  0.897289  0.433575  1
  Zr  Zr100  1  0.046739  0.625649  0.418854  1
  Zr  Zr101  1  0.238984  0.351571  0.403553  1
  Zr  Zr102  1  0.189915  0.563883  0.433746  1
  Zr  Zr103  1  0.381150  0.291373  0.417832  1
  Zr  Zr104  1  0.522899  0.230117  0.433081  1
  Zr  Zr105  1  0.738836  0.352120  0.402693  1
  Zr  Zr106  1  0.716439  0.666598  0.373076  1
  Zr  Zr107  1  0.880991  0.291497  0.417624  1
  Zr  Zr108  1  0.048708  0.331574  0.374769  1
  Zr  Zr109  1  0.603786  0.689661  0.476996  1
  Zr  Zr110  1  0.103674  0.689651  0.477756  1
  Zr  Zr111  1  0.246154  0.628540  0.492490  1
  Zr  Zr112  1  0.437256  0.356251  0.477230  1
  Zr  Zr113  1  0.461184  0.751037  0.462080  1
  Zr  Zr114  1  0.579510  0.295097  0.492182  1
  Zr  Zr115  1  0.746155  0.628041  0.492050  1
  Zr  Zr116  1  0.937250  0.355779  0.477239  1
  Zr  Zr117  1  0.961354  0.750988  0.462635  1
  Zr  Zr118  1  0.079521  0.294337  0.492458  1
  Zr  Zr119  1  0.270441  0.022468  0.477181  1
  Zr  Zr120  1  0.295214  0.416754  0.462470  1
  Zr  Zr121  1  0.439831  0.063470  0.432540  1
  Zr  Zr122  1  0.628202  0.083927  0.462174  1
  Zr  Zr123  1  0.770365  0.023189  0.477360  1
  Zr  Zr124  1  0.795131  0.417155  0.461936  1
  Zr  Zr125  1  0.939778  0.063907  0.433173  1
  Zr  Zr126  1  0.128156  0.083260  0.462199  1
  Zr  Zr127  1  0.544965  0.917097  0.461789  1
  Zr  Zr128  1  0.044713  0.917336  0.462367  1
  Zr  Zr129  1  0.187058  0.856090  0.477479  1
  Zr  Zr130  1  0.378000  0.584118  0.462312  1
  Zr  Zr131  1  0.329467  0.795443  0.492219  1
  Zr  Zr132  1  0.520337  0.523348  0.477347  1
  Zr  Zr133  1  0.687096  0.856071  0.477049  1
  Zr  Zr134  1  0.878187  0.584049  0.462263  1
  Zr  Zr135  1  0.829302  0.795029  0.492282  1
  Zr  Zr136  1  0.020338  0.522685  0.477650  1
  Zr  Zr137  1  0.211696  0.249818  0.462517  1
  Zr  Zr138  1  0.162869  0.461405  0.492527  1
  Zr  Zr139  1  0.353987  0.189194  0.477036  1
  Zr  Zr140  1  0.496172  0.128126  0.491985  1
  Zr  Zr141  1  0.711691  0.250716  0.462252  1
  Zr  Zr142  1  0.689832  0.563950  0.432852  1
  Zr  Zr143  1  0.853963  0.189608  0.477205  1
  Zr  Zr144  1  0.022839  0.229610  0.433172  1
  Zr  Zr145  1  0.576873  0.587564  0.536423  1
  Zr  Zr146  1  0.076932  0.587140  0.536789  1
  Zr  Zr147  1  0.219196  0.526296  0.551580  1
  Zr  Zr148  1  0.410366  0.253933  0.536265  1
  Zr  Zr149  1  0.434461  0.648775  0.521481  1
  Zr  Zr150  1  0.552690  0.192829  0.551183  1
  Zr  Zr151  1  0.719270  0.526111  0.551286  1
  Zr  Zr152  1  0.910489  0.253715  0.536533  1
  Zr  Zr153  1  0.934694  0.648563  0.521633  1
  Zr  Zr154  1  0.052813  0.192495  0.551748  1
  Zr  Zr155  1  0.243567  0.920770  0.536650  1
  Zr  Zr156  1  0.268084  0.314673  0.521646  1
  Zr  Zr157  1  0.412856  0.961923  0.491997  1
  Zr  Zr158  1  0.601350  0.981668  0.521266  1
  Zr  Zr159  1  0.743571  0.920939  0.536335  1
  Zr  Zr160  1  0.768092  0.315141  0.521393  1
  Zr  Zr161  1  0.912741  0.961984  0.492505  1
  Zr  Zr162  1  0.101281  0.981587  0.521740  1
  Zr  Zr163  1  0.517924  0.815189  0.521248  1
  Zr  Zr164  1  0.017934  0.815416  0.521848  1
  Zr  Zr165  1  0.160164  0.754111  0.536838  1
  Zr  Zr166  1  0.351324  0.481708  0.521597  1
  Zr  Zr167  1  0.302565  0.693271  0.551477  1
  Zr  Zr168  1  0.493674  0.420932  0.536426  1
  Zr  Zr169  1  0.660314  0.753834  0.536168  1
  Zr  Zr170  1  0.851448  0.481501  0.521360  1
  Zr  Zr171  1  0.802724  0.692544  0.551147  1
  Zr  Zr172  1  0.993733  0.420209  0.536555  1
  Zr  Zr173  1  0.184662  0.147880  0.521620  1
  Zr  Zr174  1  0.135977  0.359162  0.551626  1
  Zr  Zr175  1  0.326930  0.087304  0.536402  1
  Zr  Zr176  1  0.469278  0.026392  0.551237  1
  Zr  Zr177  1  0.684679  0.148711  0.521483  1
  Zr  Zr178  1  0.662880  0.461879  0.492206  1
  Zr  Zr179  1  0.826962  0.087699  0.536610  1
  Zr  Zr180  1  0.996248  0.128039  0.492461  1
  Zr  Zr181  1  0.550007  0.485578  0.595862  1
  Zr  Zr182  1  0.050371  0.484467  0.595891  1
  Zr  Zr183  1  0.192284  0.424254  0.610715  1
  Zr  Zr184  1  0.383352  0.151909  0.595512  1
  Zr  Zr185  1  0.407807  0.546687  0.580631  1
  Zr  Zr186  1  0.525744  0.090888  0.610466  1
  Zr  Zr187  1  0.692220  0.424145  0.610582  1
  Zr  Zr188  1  0.883413  0.151965  0.595999  1
  Zr  Zr189  1  0.907941  0.546032  0.580523  1
  Zr  Zr190  1  0.025608  0.090630  0.611187  1
  Zr  Zr191  1  0.216833  0.818975  0.595883  1
  Zr  Zr192  1  0.240911  0.212738  0.580854  1
  Zr  Zr193  1  0.385944  0.859980  0.551378  1
  Zr  Zr194  1  0.574377  0.879440  0.580410  1
  Zr  Zr195  1  0.717039  0.818148  0.595064  1
  Zr  Zr196  1  0.741007  0.213268  0.580733  1
  Zr  Zr197  1  0.885731  0.859793  0.551527  1
  Zr  Zr198  1  0.074370  0.879644  0.581229  1
  Zr  Zr199  1  0.490999  0.713090  0.580625  1
  Zr  Zr200  1  0.991045  0.713163  0.580826  1
  Zr  Zr201  1  0.133087  0.651936  0.595973  1
  Zr  Zr202  1  0.324457  0.379391  0.580726  1
  Zr  Zr203  1  0.275722  0.591169  0.610640  1
  Zr  Zr204  1  0.467220  0.318440  0.595334  1
  Zr  Zr205  1  0.633309  0.651736  0.595498  1
  Zr  Zr206  1  0.824514  0.379162  0.580570  1
  Zr  Zr207  1  0.775816  0.590201  0.610208  1
  Zr  Zr208  1  0.967335  0.317662  0.595812  1
  Zr  Zr209  1  0.157640  0.046291  0.581068  1
  Zr  Zr210  1  0.109197  0.257279  0.611201  1
  Zr  Zr211  1  0.300167  0.985461  0.595886  1
  Zr  Zr212  1  0.442451  0.924270  0.610534  1
  Zr  Zr213  1  0.657798  0.046685  0.580525  1
  Zr  Zr214  1  0.635813  0.359839  0.551421  1
  Zr  Zr215  1  0.799890  0.985824  0.595706  1
  Zr  Zr216  1  0.969281  0.026286  0.551802  1
  Zr  Zr217  1  0.523448  0.383266  0.655264  1
  Zr  Zr218  1  0.022997  0.383345  0.655588  1
  Zr  Zr219  1  0.166248  0.322531  0.670445  1
  Zr  Zr220  1  0.357640  0.049576  0.655287  1
  Zr  Zr221  1  0.381826  0.443680  0.639122  1
  Zr  Zr222  1  0.500689  0.987549  0.669731  1
  Zr  Zr223  1  0.665520  0.322377  0.670230  1
  Zr  Zr224  1  0.856212  0.049198  0.655379  1
  Zr  Zr225  1  0.881648  0.442722  0.639154  1
  Zr  Zr226  1  0.998336  0.987082  0.670524  1
  Zr  Zr227  1  0.188838  0.718207  0.654499  1
  Zr  Zr228  1  0.214516  0.110571  0.640262  1
  Zr  Zr229  1  0.359291  0.757809  0.610626  1
  Zr  Zr230  1  0.547463  0.777423  0.639803  1
  Zr  Zr231  1  0.689680  0.717311  0.654122  1
  Zr  Zr232  1  0.713622  0.111478  0.640074  1
  Zr  Zr233  1  0.859002  0.757390  0.610485  1
  Zr  Zr234  1  0.046392  0.777380  0.640437  1
  Zr  Zr235  1  0.464238  0.611031  0.640128  1
  Zr  Zr236  1  0.964627  0.609420  0.639415  1
  Zr  Zr237  1  0.106814  0.549839  0.655525  1
  Zr  Zr238  1  0.297411  0.277622  0.639946  1
  Zr  Zr239  1  0.250182  0.488875  0.669710  1
  Zr  Zr240  1  0.439506  0.217498  0.654201  1
  Zr  Zr241  1  0.607180  0.550044  0.655327  1
  Zr  Zr242  1  0.797349  0.277500  0.640037  1
  Zr  Zr243  1  0.750072  0.488704  0.669636  1
  Zr  Zr244  1  0.939679  0.216134  0.655471  1
  Zr  Zr245  1  0.130631  0.944277  0.640401  1
  Zr  Zr246  1  0.082267  0.155150  0.670528  1
  Zr  Zr247  1  0.273801  0.883007  0.655305  1
  Zr  Zr248  1  0.416348  0.821513  0.670264  1
  Zr  Zr249  1  0.631245  0.943613  0.638879  1
  Zr  Zr250  1  0.608913  0.257819  0.610597  1
  Zr  Zr251  1  0.771969  0.884276  0.654295  1
  Zr  Zr252  1  0.941986  0.924225  0.610897  1
  Zr  Zr253  1  0.497157  0.280893  0.713065  1
  Zr  Zr254  1  0.995790  0.281591  0.714175  1
  Zr  Zr255  1  0.138569  0.221500  0.728386  1
  Zr  Zr256  1  0.331544  0.946946  0.714180  1
  Zr  Zr257  1  0.354596  0.341927  0.698704  1
  Zr  Zr258  1  0.473698  0.888670  0.727127  1
  Zr  Zr259  1  0.636955  0.219029  0.727228  1
  Zr  Zr260  1  0.828786  0.946013  0.713310  1
  Zr  Zr261  1  0.853050  0.343821  0.698999  1
  Zr  Zr262  1  0.969039  0.885293  0.727357  1
  Zr  Zr263  1  0.165356  0.613121  0.713109  1
  Zr  Zr264  1  0.187260  0.008253  0.699355  1
  Zr  Zr265  1  0.332191  0.654858  0.669872  1
  Zr  Zr266  1  0.521038  0.675294  0.699407  1
  Zr  Zr267  1  0.667832  0.612727  0.713189  1
  Zr  Zr268  1  0.685835  0.007615  0.699009  1
  Zr  Zr269  1  0.832516  0.653687  0.669386  1
  Zr  Zr270  1  0.017866  0.674332  0.699370  1
  Zr  Zr271  1  0.435729  0.509731  0.699055  1
  Zr  Zr272  1  0.934615  0.509978  0.698850  1
  Zr  Zr273  1  0.079708  0.448747  0.714182  1
  Zr  Zr274  1  0.271579  0.175632  0.699343  1
  Zr  Zr275  1  0.222907  0.390326  0.727076  1
  Zr  Zr276  1  0.417207  0.112633  0.713059  1
  Zr  Zr277  1  0.580688  0.447893  0.714181  1
  Zr  Zr278  1  0.769246  0.175816  0.699258  1
  Zr  Zr279  1  0.722274  0.388217  0.727326  1
  Zr  Zr280  1  0.912072  0.113440  0.714205  1
  Zr  Zr281  1  0.103110  0.839738  0.699612  1
  Zr  Zr282  1  0.054225  0.053126  0.728394  1
  Zr  Zr283  1  0.247488  0.779374  0.713159  1
  Zr  Zr284  1  0.387919  0.719706  0.727278  1
  Zr  Zr285  1  0.605523  0.840278  0.698703  1
  Zr  Zr286  1  0.582149  0.154294  0.669982  1
  Zr  Zr287  1  0.750436  0.777452  0.712190  1
  Zr  Zr288  1  0.914068  0.819896  0.670310  1
