# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01326972
_cell_length_b   16.32730486
_cell_length_c   48.32112131
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.19025391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8627.66211595
_cell_formula_units_Z   10
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  0.687784  0.231854  0.335428  1
  Zr  Zr2  1  0.433839  0.734933  0.295169  1
  Zr  Zr3  1  0.630159  0.974196  0.327405  1
  Zr  Zr4  1  0.430382  0.486291  0.274972  1
  Zr  Zr5  1  0.971096  0.063830  0.309362  1
  Zr  Zr6  1  0.772741  0.588082  0.257868  1
  Zr  Zr7  1  0.340454  0.138815  0.350179  1
  Zr  Zr8  1  0.076576  0.648192  0.307852  1
  Zr  Zr9  1  0.191748  0.337565  0.320924  1
  Zr  Zr10  1  0.942655  0.842290  0.282017  1
  Zr  Zr11  1  0.122157  0.866667  0.339720  1
  Zr  Zr12  1  0.931579  0.386337  0.288877  1
  Zr  Zr13  1  0.522694  0.218616  0.278212  1
  Zr  Zr14  1  0.695340  0.701247  0.327686  1
  Zr  Zr15  1  0.361489  0.011711  0.295546  1
  Zr  Zr16  1  0.612700  0.504951  0.331439  1
  Zr  Zr17  1  0.124393  0.205309  0.425652  1
  Zr  Zr18  1  0.875767  0.710661  0.386794  1
  Zr  Zr19  1  0.065114  0.946813  0.417484  1
  Zr  Zr20  1  0.873670  0.466639  0.364933  1
  Zr  Zr21  1  0.411397  0.037080  0.403022  1
  Zr  Zr22  1  0.226012  0.560144  0.349091  1
  Zr  Zr23  1  0.779701  0.113837  0.440947  1
  Zr  Zr24  1  0.518895  0.619786  0.401945  1
  Zr  Zr25  1  0.631174  0.311260  0.411518  1
  Zr  Zr26  1  0.379456  0.817584  0.372214  1
  Zr  Zr27  1  0.558613  0.841159  0.431963  1
  Zr  Zr28  1  0.373219  0.360199  0.379971  1
  Zr  Zr29  1  0.955490  0.190354  0.367087  1
  Zr  Zr30  1  0.134202  0.675509  0.419618  1
  Zr  Zr31  1  0.798712  0.985611  0.385424  1
  Zr  Zr32  1  0.054622  0.477567  0.423573  1
  Zr  Zr33  1  0.564531  0.179783  0.517025  1
  Zr  Zr34  1  0.314944  0.685278  0.478390  1
  Zr  Zr35  1  0.503248  0.920830  0.509157  1
  Zr  Zr36  1  0.313562  0.441131  0.456221  1
  Zr  Zr37  1  0.848811  0.012403  0.493746  1
  Zr  Zr38  1  0.669696  0.533586  0.440970  1
  Zr  Zr39  1  0.218292  0.088413  0.531864  1
  Zr  Zr40  1  0.958867  0.592969  0.493788  1
  Zr  Zr41  1  0.070256  0.285201  0.502762  1
  Zr  Zr42  1  0.816397  0.792407  0.463365  1
  Zr  Zr43  1  0.997556  0.815216  0.523420  1
  Zr  Zr44  1  0.812264  0.334232  0.471328  1
  Zr  Zr45  1  0.393952  0.164885  0.458484  1
  Zr  Zr46  1  0.574230  0.648998  0.511202  1
  Zr  Zr47  1  0.234218  0.961520  0.476394  1
  Zr  Zr48  1  0.494376  0.451752  0.515028  1
  Zr  Zr49  1  1.001245  0.153725  0.607548  1
  Zr  Zr50  1  0.755256  0.659359  0.570268  1
  Zr  Zr51  1  0.939927  0.894382  0.600005  1
  Zr  Zr52  1  0.753279  0.415599  0.547902  1
  Zr  Zr53  1  0.286116  0.986851  0.584239  1
  Zr  Zr54  1  0.109936  0.507055  0.532805  1
  Zr  Zr55  1  0.660474  0.060587  0.623760  1
  Zr  Zr56  1  0.400210  0.567069  0.585036  1
  Zr  Zr57  1  0.508190  0.260368  0.593925  1
  Zr  Zr58  1  0.255452  0.766006  0.554917  1
  Zr  Zr59  1  0.438117  0.789634  0.614853  1
  Zr  Zr60  1  0.250737  0.308146  0.562553  1
  Zr  Zr61  1  0.832065  0.139734  0.549321  1
  Zr  Zr62  1  1.012795  0.622050  0.602744  1
  Zr  Zr63  1  0.673059  0.935441  0.567639  1
  Zr  Zr64  1  0.933117  0.423777  0.606722  1
  Zr  Zr65  1  0.440223  0.132489  0.696966  1
  Zr  Zr66  1  0.197444  0.631607  0.660572  1
  Zr  Zr67  1  0.375755  0.865549  0.689388  1
  Zr  Zr68  1  0.193297  0.389257  0.639953  1
  Zr  Zr69  1  0.725327  0.954764  0.678008  1
  Zr  Zr70  1  0.550080  0.482351  0.624863  1
  Zr  Zr71  1  0.083292  0.035706  0.711126  1
  Zr  Zr72  1  0.864020  0.532149  0.680311  1
  Zr  Zr73  1  0.951316  0.229186  0.685459  1
  Zr  Zr74  1  0.692709  0.738821  0.647158  1
  Zr  Zr75  1  0.875251  0.767099  0.703871  1
  Zr  Zr76  1  0.687186  0.279538  0.653088  1
  Zr  Zr77  1  0.270468  0.113212  0.639977  1
  Zr  Zr78  1  0.470739  0.588487  0.693770  1
  Zr  Zr79  1  0.112779  0.910268  0.657426  1
  Zr  Zr80  1  0.366975  0.398430  0.697507  1
  Ni  Ni81  1  0.562773  0.362255  0.302795  1
  Ni  Ni82  1  0.323514  0.872521  0.265795  1
  Ni  Ni83  1  0.431002  0.276364  0.329438  1
  Ni  Ni84  1  0.182886  0.785199  0.290061  1
  Ni  Ni85  1  0.887902  0.928764  0.330600  1
  Ni  Ni86  1  0.696559  0.451480  0.278971  1
  Ni  Ni87  1  0.533100  0.122895  0.321103  1
  Ni  Ni88  1  0.268583  0.630714  0.279332  1
  Ni  Ni89  1  0.785605  0.081436  0.342014  1
  Ni  Ni90  1  0.588096  0.602708  0.288587  1
  Ni  Ni91  1  0.095594  0.248826  0.282823  1
  Ni  Ni92  1  0.272734  0.721585  0.333210  1
  Ni  Ni93  1  0.784448  0.979754  0.286787  1
  Ni  Ni94  1  0.031861  0.481318  0.325768  1
  Ni  Ni95  1  0.911772  0.230784  0.311704  1
  Ni  Ni96  1  0.657475  0.743555  0.272571  1
  Ni  Ni97  1  0.744864  0.287177  0.280102  1
  Ni  Ni98  1  0.929170  0.771855  0.331157  1
  Ni  Ni99  1  0.137307  0.942066  0.290657  1
  Ni  Ni100  1  0.383253  0.430471  0.327880  1
  Ni  Ni101  1  0.189402  0.026358  0.333892  1
  Ni  Ni102  1  0.999470  0.532329  0.276640  1
  Ni  Ni103  1  0.121572  0.179298  0.329051  1
  Ni  Ni104  1  0.861919  0.686609  0.290868  1
  Ni  Ni105  1  0.574318  0.046964  0.275843  1
  Ni  Ni106  1  0.817217  0.540554  0.308296  1
  Ni  Ni107  1  0.312759  0.189732  0.298370  1
  Ni  Ni108  1  0.486868  0.666588  0.350072  1
  Ni  Ni109  1  0.739665  0.130597  0.293464  1
  Ni  Ni110  1  0.911387  0.616734  0.341887  1
  Ni  Ni111  1  0.159009  0.100317  0.285652  1
  Ni  Ni112  1  0.393924  0.585337  0.317583  1
  Ni  Ni113  1  0.533697  0.881063  0.286575  1
  Ni  Ni114  1  0.773885  0.370742  0.324787  1
  Ni  Ni115  1  0.348960  0.342815  0.283185  1
  Ni  Ni116  1  0.539024  0.832704  0.334590  1
  Ni  Ni117  1  0.330903  0.871722  0.316604  1
  Ni  Ni118  1  0.145150  0.397070  0.266084  1
  Ni  Ni119  1  0.986863  0.330464  0.342869  1
  Ni  Ni120  1  0.739605  0.836847  0.304914  1
  Ni  Ni121  1  0.404717  0.970951  0.348932  1
  Ni  Ni122  1  0.214048  0.493359  0.297111  1
  Ni  Ni123  1  1.001557  0.337334  0.394781  1
  Ni  Ni124  1  0.751364  0.841357  0.356635  1
  Ni  Ni125  1  0.865996  0.249731  0.420786  1
  Ni  Ni126  1  0.611462  0.755822  0.381938  1
  Ni  Ni127  1  0.323730  0.902226  0.422802  1
  Ni  Ni128  1  0.138669  0.423093  0.369592  1
  Ni  Ni129  1  0.971531  0.095297  0.411249  1
  Ni  Ni130  1  0.707842  0.604228  0.371219  1
  Ni  Ni131  1  0.217004  0.056193  0.431985  1
  Ni  Ni132  1  0.040253  0.574344  0.380519  1
  Ni  Ni133  1  0.524439  0.218787  0.374179  1
  Ni  Ni134  1  0.714513  0.696469  0.425032  1
  Ni  Ni135  1  0.225560  0.958615  0.379055  1
  Ni  Ni136  1  0.474872  0.456221  0.418166  1
  Ni  Ni137  1  0.346411  0.205709  0.403992  1
  Ni  Ni138  1  0.092976  0.713366  0.363222  1
  Ni  Ni139  1  0.180938  0.263353  0.370710  1
  Ni  Ni140  1  0.366129  0.747246  0.423252  1
  Ni  Ni141  1  0.571666  0.914456  0.381456  1
  Ni  Ni142  1  0.821853  0.405222  0.420122  1
  Ni  Ni143  1  0.630291  0.999166  0.424409  1
  Ni  Ni144  1  0.443606  0.515387  0.368936  1
  Ni  Ni145  1  0.560464  0.152348  0.419506  1
  Ni  Ni146  1  0.303807  0.663160  0.382694  1
  Ni  Ni147  1  1.007682  0.016569  0.363189  1
  Ni  Ni148  1  0.260564  0.512115  0.400690  1
  Ni  Ni149  1  0.743821  0.162864  0.388431  1
  Ni  Ni150  1  0.928027  0.640584  0.442324  1
  Ni  Ni151  1  0.167941  0.104683  0.381868  1
  Ni  Ni152  1  0.348523  0.591661  0.433581  1
  Ni  Ni153  1  0.585789  0.072937  0.371876  1
  Ni  Ni154  1  0.839521  0.560852  0.409438  1
  Ni  Ni155  1  0.962322  0.853637  0.377822  1
  Ni  Ni156  1  0.212931  0.345327  0.416556  1
  Ni  Ni157  1  0.791076  0.323262  0.373985  1
  Ni  Ni158  1  0.976176  0.807511  0.426626  1
  Ni  Ni159  1  0.763185  0.846562  0.408332  1
  Ni  Ni160  1  0.577851  0.368974  0.355821  1
  Ni  Ni161  1  0.427393  0.304853  0.434780  1
  Ni  Ni162  1  0.173692  0.809619  0.395533  1
  Ni  Ni163  1  0.842643  0.945840  0.439747  1
  Ni  Ni164  1  0.655522  0.464537  0.387732  1
  Ni  Ni165  1  0.441014  0.310675  0.486253  1
  Ni  Ni166  1  0.187560  0.815992  0.448434  1
  Ni  Ni167  1  0.304945  0.223871  0.511973  1
  Ni  Ni168  1  0.049233  0.730253  0.473568  1
  Ni  Ni169  1  0.762785  0.876656  0.514049  1
  Ni  Ni170  1  0.579213  0.396339  0.461122  1
  Ni  Ni171  1  0.413095  0.070026  0.503087  1
  Ni  Ni172  1  0.147330  0.578415  0.463016  1
  Ni  Ni173  1  0.655575  0.030574  0.523135  1
  Ni  Ni174  1  0.480880  0.548206  0.471533  1
  Ni  Ni175  1  0.963919  0.192919  0.464618  1
  Ni  Ni176  1  0.153747  0.670256  0.516638  1
  Ni  Ni177  1  0.664594  0.933462  0.470241  1
  Ni  Ni178  1  0.914351  0.430140  0.509649  1
  Ni  Ni179  1  0.786596  0.180597  0.494987  1
  Ni  Ni180  1  0.532964  0.688392  0.455364  1
  Ni  Ni181  1  0.620757  0.237285  0.461815  1
  Ni  Ni182  1  0.806535  0.721252  0.514743  1
  Ni  Ni183  1  1.008099  0.889147  0.472913  1
  Ni  Ni184  1  0.262168  0.379225  0.511392  1
  Ni  Ni185  1  0.067822  0.973473  0.515693  1
  Ni  Ni186  1  0.884889  0.489111  0.460461  1
  Ni  Ni187  1  0.999688  0.126332  0.510174  1
  Ni  Ni188  1  0.743977  0.637632  0.474224  1
  Ni  Ni189  1  0.447071  0.988632  0.455653  1
  Ni  Ni190  1  0.700838  0.486128  0.492247  1
  Ni  Ni191  1  0.181549  0.137665  0.479167  1
  Ni  Ni192  1  0.367716  0.614408  0.533955  1
  Ni  Ni193  1  0.606446  0.079259  0.472319  1
  Ni  Ni194  1  0.788580  0.565765  0.525353  1
  Ni  Ni195  1  0.021664  0.047006  0.462118  1
  Ni  Ni196  1  0.279591  0.534910  0.500914  1
  Ni  Ni197  1  0.399026  0.828858  0.469729  1
  Ni  Ni198  1  0.652443  0.319548  0.507981  1
  Ni  Ni199  1  0.229590  0.297497  0.465010  1
  Ni  Ni200  1  0.415372  0.780803  0.518231  1
  Ni  Ni201  1  0.201109  0.821166  0.499874  1
  Ni  Ni202  1  1.016146  0.342114  0.447479  1
  Ni  Ni203  1  0.865885  0.279684  0.526260  1
  Ni  Ni204  1  0.612562  0.784369  0.487254  1
  Ni  Ni205  1  0.280709  0.919592  0.531000  1
  Ni  Ni206  1  0.095715  0.438161  0.479316  1
  Ni  Ni207  1  0.879047  0.284985  0.577986  1
  Ni  Ni208  1  0.627148  0.789555  0.539805  1
  Ni  Ni209  1  0.742991  0.197960  0.602984  1
  Ni  Ni210  1  0.489295  0.704209  0.565041  1
  Ni  Ni211  1  0.202454  0.850334  0.605023  1
  Ni  Ni212  1  0.017882  0.370143  0.552738  1
  Ni  Ni213  1  0.850678  0.043890  0.593523  1
  Ni  Ni214  1  0.588762  0.552585  0.554865  1
  Ni  Ni215  1  0.092440  0.004343  0.613190  1
  Ni  Ni216  1  0.920998  0.521831  0.563330  1
  Ni  Ni217  1  0.403783  0.167097  0.555613  1
  Ni  Ni218  1  0.596106  0.643934  0.608426  1
  Ni  Ni219  1  0.101865  0.907446  0.561465  1
  Ni  Ni220  1  0.353357  0.403447  0.600299  1
  Ni  Ni221  1  0.225397  0.154847  0.585745  1
  Ni  Ni222  1  0.972711  0.661995  0.547045  1
  Ni  Ni223  1  0.058445  0.211475  0.552965  1
  Ni  Ni224  1  0.248057  0.694864  0.606471  1
  Ni  Ni225  1  0.446965  0.862853  0.564320  1
  Ni  Ni226  1  0.701830  0.354905  0.603538  1
  Ni  Ni227  1  0.505838  0.948292  0.606282  1
  Ni  Ni228  1  0.324559  0.463092  0.551951  1
  Ni  Ni229  1  0.439196  0.100952  0.601127  1
  Ni  Ni230  1  0.183912  0.611038  0.566045  1
  Ni  Ni231  1  0.884367  0.963353  0.546558  1
  Ni  Ni232  1  0.139849  0.459645  0.584124  1
  Ni  Ni233  1  0.621510  0.111068  0.570616  1
  Ni  Ni234  1  0.810515  0.585095  0.627278  1
  Ni  Ni235  1  0.043977  0.053463  0.563088  1
  Ni  Ni236  1  0.232609  0.538390  0.616572  1
  Ni  Ni237  1  0.461712  0.021058  0.553710  1
  Ni  Ni238  1  0.721346  0.509848  0.592804  1
  Ni  Ni239  1  0.838258  0.802862  0.560958  1
  Ni  Ni240  1  0.091099  0.293157  0.599542  1
  Ni  Ni241  1  0.668403  0.272574  0.556574  1
  Ni  Ni242  1  0.853579  0.754329  0.609825  1
  Ni  Ni243  1  0.641272  0.795525  0.591276  1
  Ni  Ni244  1  0.455243  0.316649  0.538899  1
  Ni  Ni245  1  0.303201  0.253909  0.617663  1
  Ni  Ni246  1  0.051772  0.757522  0.578820  1
  Ni  Ni247  1  0.717805  0.893211  0.623039  1
  Ni  Ni248  1  0.536215  0.412744  0.570878  1
  Ni  Ni249  1  0.318314  0.258961  0.669727  1
  Ni  Ni250  1  0.065345  0.762187  0.631110  1
  Ni  Ni251  1  0.186746  0.164349  0.693039  1
  Ni  Ni252  1  0.927643  0.675502  0.657462  1
  Ni  Ni253  1  0.629116  0.819179  0.697338  1
  Ni  Ni254  1  0.451665  0.345223  0.644383  1
  Ni  Ni255  1  0.289725  0.014977  0.683394  1
  Ni  Ni256  1  0.031385  0.525288  0.644134  1
  Ni  Ni257  1  0.515563  0.974558  0.700126  1
  Ni  Ni258  1  0.358890  0.496611  0.656958  1
  Ni  Ni259  1  0.839506  0.142864  0.647124  1
  Ni  Ni260  1  0.043807  0.625285  0.700655  1
  Ni  Ni261  1  0.542275  0.882499  0.653394  1
  Ni  Ni262  1  0.787885  0.367149  0.692211  1
  Ni  Ni263  1  0.654754  0.119986  0.675649  1
  Ni  Ni264  1  0.417406  0.635226  0.639085  1
  Ni  Ni265  1  0.495044  0.187104  0.644261  1
  Ni  Ni266  1  0.698301  0.662604  0.697257  1
  Ni  Ni267  1  0.885211  0.836680  0.654987  1
  Ni  Ni268  1  0.140970  0.323541  0.695282  1
  Ni  Ni269  1  0.949145  0.920709  0.695008  1
  Ni  Ni270  1  0.767859  0.437388  0.645424  1
  Ni  Ni271  1  0.865840  0.076794  0.690556  1
  Ni  Ni272  1  0.637382  0.580110  0.658395  1
  Ni  Ni273  1  0.326100  0.936733  0.637371  1
  Ni  Ni274  1  0.580899  0.430138  0.675126  1
  Ni  Ni275  1  0.056214  0.086434  0.660530  1
  Ni  Ni276  1  0.263169  0.559377  0.711149  1
  Ni  Ni277  1  0.484359  0.028824  0.653424  1
  Ni  Ni278  1  0.677846  0.508105  0.707195  1
  Ni  Ni279  1  0.897483  0.995317  0.644981  1
  Ni  Ni280  1  0.132133  0.478932  0.686013  1
  Ni  Ni281  1  0.276967  0.777669  0.652378  1
  Ni  Ni282  1  0.530928  0.272973  0.689817  1
  Ni  Ni283  1  0.107057  0.245627  0.648415  1
  Ni  Ni284  1  0.285086  0.719856  0.700982  1
  Ni  Ni285  1  0.080620  0.769205  0.681488  1
  Ni  Ni286  1  0.894392  0.289508  0.631440  1
  Ni  Ni287  1  0.735287  0.215841  0.705729  1
  Ni  Ni288  1  0.488563  0.727608  0.672367  1
  Ni  Ni289  1  0.156706  0.865558  0.712064  1
  Ni  Ni290  1  0.976350  0.383868  0.663285  1
