# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63966660
_cell_length_b   17.79034768
_cell_length_c   51.68514561
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.23690440
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6968.68833169
_cell_formula_units_Z   8
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  0.244926  0.137251  0.359460  1
  Zr  Zr2  1  0.646114  0.462541  0.307573  1
  Zr  Zr3  1  0.689105  0.594421  0.368369  1
  Zr  Zr4  1  1.000716  0.921205  0.313929  1
  Zr  Zr5  1  0.169360  0.483553  0.358902  1
  Zr  Zr6  1  0.476999  0.814442  0.305055  1
  Zr  Zr7  1  0.764125  0.245175  0.368519  1
  Zr  Zr8  1  0.105593  0.575651  0.310913  1
  Zr  Zr9  1  0.782724  0.289769  0.302944  1
  Zr  Zr10  1  0.508105  0.958930  0.353708  1
  Zr  Zr11  1  0.732920  0.102820  0.320654  1
  Zr  Zr12  1  0.451348  0.776897  0.374205  1
  Zr  Zr13  1  0.285261  0.321339  0.340339  1
  Zr  Zr14  1  0.617287  0.648131  0.286920  1
  Zr  Zr15  1  0.640752  0.412634  0.389777  1
  Zr  Zr16  1  0.948194  0.738001  0.334998  1
  Zr  Zr17  1  0.665743  0.492295  0.471540  1
  Zr  Zr18  1  0.967509  0.816468  0.415689  1
  Zr  Zr19  1  0.085270  0.948698  0.480128  1
  Zr  Zr20  1  0.386523  0.272873  0.425219  1
  Zr  Zr21  1  0.568626  0.837859  0.472108  1
  Zr  Zr22  1  0.869960  0.162307  0.417681  1
  Zr  Zr23  1  0.182303  0.602702  0.479250  1
  Zr  Zr24  1  0.485087  0.927709  0.423209  1
  Zr  Zr25  1  0.207227  0.634726  0.409889  1
  Zr  Zr26  1  0.904056  0.311978  0.466688  1
  Zr  Zr27  1  0.147524  0.453897  0.430398  1
  Zr  Zr28  1  0.846985  0.130091  0.486205  1
  Zr  Zr29  1  0.712797  0.674086  0.450259  1
  Zr  Zr30  1  0.009024  -0.001656  0.395390  1
  Zr  Zr31  1  0.039620  0.766531  0.501044  1
  Zr  Zr32  1  0.340769  0.090476  0.446209  1
  Zr  Zr33  1  0.064618  0.845405  0.582767  1
  Zr  Zr34  1  0.365871  0.169580  0.527858  1
  Zr  Zr35  1  0.483633  0.301810  0.592297  1
  Zr  Zr36  1  0.785398  0.625982  0.536447  1
  Zr  Zr37  1  0.966054  0.190569  0.584777  1
  Zr  Zr38  1  0.268838  0.515575  0.528736  1
  Zr  Zr39  1  0.581181  0.955971  0.590305  1
  Zr  Zr40  1  0.882515  0.280418  0.535878  1
  Zr  Zr41  1  0.604156  0.988187  0.521781  1
  Zr  Zr42  1  0.303617  0.664380  0.577588  1
  Zr  Zr43  1  0.547086  0.806300  0.541298  1
  Zr  Zr44  1  0.243914  0.483552  0.598097  1
  Zr  Zr45  1  0.110373  0.027802  0.561777  1
  Zr  Zr46  1  0.411521  0.351747  0.506942  1
  Zr  Zr47  1  0.442117  0.119933  0.612596  1
  Zr  Zr48  1  0.738344  0.444191  0.557728  1
  Zr  Zr49  1  0.450425  0.197073  0.694057  1
  Zr  Zr50  1  0.762036  0.523857  0.639618  1
  Zr  Zr51  1  0.805027  0.655737  0.700413  1
  Zr  Zr52  1  0.206215  0.981026  0.648526  1
  Zr  Zr53  1  0.345548  0.542626  0.697073  1
  Zr  Zr54  1  0.687016  0.873103  0.639467  1
  Zr  Zr55  1  0.974143  0.303836  0.702931  1
  Zr  Zr56  1  0.281782  0.634725  0.649085  1
  Zr  Zr57  1  0.999793  0.341380  0.633781  1
  Zr  Zr58  1  0.718222  0.015457  0.687332  1
  Zr  Zr59  1  0.943037  0.159347  0.654278  1
  Zr  Zr60  1  0.668417  0.828509  0.705042  1
  Zr  Zr61  1  0.502947  0.380277  0.672988  1
  Zr  Zr62  1  0.810389  0.705643  0.618209  1
  Zr  Zr63  1  0.833854  0.470147  0.721066  1
  Zr  Zr64  1  0.165880  0.796939  0.667647  1
  Ni  Ni65  1  0.253549  0.192113  0.304878  1
  Ni  Ni66  1  0.980734  0.869283  0.364137  1
  Ni  Ni67  1  0.519556  0.214473  0.331370  1
  Ni  Ni68  1  0.254705  0.891395  0.387522  1
  Ni  Ni69  1  0.944472  0.175722  0.286222  1
  Ni  Ni70  1  0.706300  0.847053  0.340529  1
  Ni  Ni71  1  0.447872  0.265006  0.377506  1
  Ni  Ni72  1  0.788640  0.596550  0.322075  1
  Ni  Ni73  1  0.487437  0.466491  0.351599  1
  Ni  Ni74  1  0.796812  0.792352  0.296463  1
  Ni  Ni75  1  0.978366  0.432569  0.307971  1
  Ni  Ni76  1  0.567879  0.109351  0.362972  1
  Ni  Ni77  1  0.676704  0.952390  0.307835  1
  Ni  Ni78  1  0.362988  0.625648  0.364242  1
  Ni  Ni79  1  0.299957  0.440852  0.310469  1
  Ni  Ni80  1  0.907573  0.116071  0.367345  1
  Ni  Ni81  1  1.004094  0.213123  0.332167  1
  Ni  Ni82  1  0.714072  0.891795  0.387777  1
  Ni  Ni83  1  0.556843  0.177685  0.285910  1
  Ni  Ni84  1  0.246378  0.845400  0.340803  1
  Ni  Ni85  1  0.958896  0.380189  0.388544  1
  Ni  Ni86  1  0.270568  0.705893  0.329949  1
  Ni  Ni87  1  0.962851  0.350751  0.343206  1
  Ni  Ni88  1  0.294711  0.685512  0.284112  1
  Ni  Ni89  1  0.287223  0.378326  0.390609  1
  Ni  Ni90  1  0.599318  0.705518  0.333643  1
  Ni  Ni91  1  0.634192  0.353919  0.340923  1
  Ni  Ni92  1  0.963286  0.680599  0.287139  1
  Ni  Ni93  1  0.098460  0.251819  0.380209  1
  Ni  Ni94  1  0.439436  0.575033  0.323248  1
  Ni  Ni95  1  0.843690  0.480079  0.349153  1
  Ni  Ni96  1  0.146534  0.803521  0.296181  1
  Ni  Ni97  1  0.052928  0.073618  0.319453  1
  Ni  Ni98  1  0.765734  0.750592  0.378013  1
  Ni  Ni99  1  0.457321  0.317269  0.297463  1
  Ni  Ni100  1  0.190963  0.987334  0.350578  1
  Ni  Ni101  1  0.388400  0.075440  0.319555  1
  Ni  Ni102  1  0.113547  0.748621  0.377774  1
  Ni  Ni103  1  0.117316  0.311818  0.296405  1
  Ni  Ni104  1  0.847797  0.987620  0.350664  1
  Ni  Ni105  1  0.337648  0.943203  0.306634  1
  Ni  Ni106  1  0.034439  0.617372  0.360400  1
  Ni  Ni107  1  0.675933  0.543505  0.419634  1
  Ni  Ni108  1  0.376076  0.221347  0.476632  1
  Ni  Ni109  1  0.951955  0.567122  0.443006  1
  Ni  Ni110  1  0.652152  0.244243  0.499727  1
  Ni  Ni111  1  0.397900  0.520246  0.396298  1
  Ni  Ni112  1  0.100814  0.198116  0.453463  1
  Ni  Ni113  1  0.865237  0.620634  0.488487  1
  Ni  Ni114  1  0.167975  0.945147  0.432591  1
  Ni  Ni115  1  0.885998  0.819505  0.463308  1
  Ni  Ni116  1  0.188549  0.144593  0.408276  1
  Ni  Ni117  1  0.295871  0.786311  0.419076  1
  Ni  Ni118  1  0.992143  0.462659  0.475168  1
  Ni  Ni119  1  0.061730  0.303548  0.422443  1
  Ni  Ni120  1  0.758057  0.979220  0.476970  1
  Ni  Ni121  1  0.626301  0.793653  0.422883  1
  Ni  Ni122  1  0.324976  0.470953  0.479242  1
  Ni  Ni123  1  0.413031  0.566795  0.443566  1
  Ni  Ni124  1  0.111286  0.244312  0.500257  1
  Ni  Ni125  1  0.942651  0.520612  0.395865  1
  Ni  Ni126  1  0.638929  0.197865  0.452871  1
  Ni  Ni127  1  0.359043  0.734034  0.499106  1
  Ni  Ni128  1  0.660654  0.058139  0.443321  1
  Ni  Ni129  1  0.393159  0.706335  0.452441  1
  Ni  Ni130  1  0.687767  0.032581  0.396229  1
  Ni  Ni131  1  0.690565  0.731586  0.501342  1
  Ni  Ni132  1  0.991966  0.055509  0.446222  1
  Ni  Ni133  1  0.062553  0.709352  0.449880  1
  Ni  Ni134  1  0.356169  0.033025  0.394617  1
  Ni  Ni135  1  0.513182  0.607011  0.490467  1
  Ni  Ni136  1  0.814049  0.929912  0.434966  1
  Ni  Ni137  1  0.238629  0.834622  0.461080  1
  Ni  Ni138  1  0.537327  0.157169  0.406323  1
  Ni  Ni139  1  0.463487  0.425980  0.433718  1
  Ni  Ni140  1  0.162854  0.103271  0.490191  1
  Ni  Ni141  1  0.890273  0.661852  0.406107  1
  Ni  Ni142  1  0.588416  0.339319  0.462770  1
  Ni  Ni143  1  0.810507  0.425250  0.433219  1
  Ni  Ni144  1  0.509643  0.101827  0.489365  1
  Ni  Ni145  1  0.543356  0.662533  0.406717  1
  Ni  Ni146  1  0.242797  0.340710  0.463656  1
  Ni  Ni147  1  0.729433  0.294329  0.418123  1
  Ni  Ni148  1  0.427758  0.971040  0.472750  1
  Ni  Ni149  1  0.075065  0.896930  0.531354  1
  Ni  Ni150  1  0.775209  0.574773  0.588352  1
  Ni  Ni151  1  0.350327  0.920162  0.554523  1
  Ni  Ni152  1  0.053241  0.598032  0.611688  1
  Ni  Ni153  1  0.798990  0.874035  0.508259  1
  Ni  Ni154  1  0.499187  0.551156  0.564980  1
  Ni  Ni155  1  0.262593  0.973685  0.599710  1
  Ni  Ni156  1  0.565143  0.298773  0.544678  1
  Ni  Ni157  1  0.283166  0.173131  0.575395  1
  Ni  Ni158  1  0.585905  0.497644  0.519499  1
  Ni  Ni159  1  0.693084  0.139057  0.531016  1
  Ni  Ni160  1  0.389412  0.814730  0.585543  1
  Ni  Ni161  1  0.458998  0.655619  0.532819  1
  Ni  Ni162  1  0.155270  0.331966  0.588910  1
  Ni  Ni163  1  0.023383  0.147237  0.535236  1
  Ni  Ni164  1  0.721708  0.823949  0.589864  1
  Ni  Ni165  1  0.812213  0.920413  0.555115  1
  Ni  Ni166  1  0.508490  0.597665  0.612121  1
  Ni  Ni167  1  0.339855  0.873966  0.507729  1
  Ni  Ni168  1  0.038111  0.551483  0.564420  1
  Ni  Ni169  1  0.763375  0.085697  0.611757  1
  Ni  Ni170  1  0.057982  0.411943  0.555545  1
  Ni  Ni171  1  0.790487  0.060139  0.564665  1
  Ni  Ni172  1  0.092098  0.384243  0.508881  1
  Ni  Ni173  1  0.094972  0.085253  0.613370  1
  Ni  Ni174  1  0.388588  0.408926  0.558106  1
  Ni  Ni175  1  0.459175  0.062769  0.561764  1
  Ni  Ni176  1  0.760576  0.386692  0.506644  1
  Ni  Ni177  1  0.913815  0.961109  0.601663  1
  Ni  Ni178  1  0.212512  0.283656  0.546906  1
  Ni  Ni179  1  0.637092  0.188366  0.573020  1
  Ni  Ni180  1  0.937959  0.511266  0.517519  1
  Ni  Ni181  1  0.862725  0.778959  0.545217  1
  Ni  Ni182  1  0.560868  0.456426  0.601880  1
  Ni  Ni183  1  0.288287  0.015007  0.517796  1
  Ni  Ni184  1  0.987654  0.692297  0.574269  1
  Ni  Ni185  1  0.208344  0.777568  0.544330  1
  Ni  Ni186  1  0.907785  0.455745  0.601269  1
  Ni  Ni187  1  0.941499  0.016451  0.518622  1
  Ni  Ni188  1  0.640634  0.693028  0.574767  1
  Ni  Ni189  1  0.126165  0.647325  0.528744  1
  Ni  Ni190  1  0.824841  0.324625  0.585103  1
  Ni  Ni191  1  0.470407  0.248994  0.643849  1
  Ni  Ni192  1  0.197593  0.926165  0.703108  1
  Ni  Ni193  1  0.744841  0.271225  0.667457  1
  Ni  Ni194  1  0.506669  0.942556  0.721764  1
  Ni  Ni195  1  0.196437  0.226882  0.620464  1
  Ni  Ni196  1  0.931585  0.903805  0.676616  1
  Ni  Ni197  1  0.654329  0.325926  0.711523  1
  Ni  Ni198  1  0.963705  0.651787  0.656388  1
  Ni  Ni199  1  0.662501  0.521728  0.685912  1
  Ni  Ni200  1  1.003270  0.853272  0.630481  1
  Ni  Ni201  1  0.088153  0.492630  0.643745  1
  Ni  Ni202  1  0.774438  0.165887  0.700152  1
  Ni  Ni203  1  0.883263  0.008926  0.645014  1
  Ni  Ni204  1  0.472775  0.685709  0.700016  1
  Ni  Ni205  1  0.416702  0.500906  0.647586  1
  Ni  Ni206  1  0.113493  0.175075  0.701352  1
  Ni  Ni207  1  0.204763  0.272878  0.667183  1
  Ni  Ni208  1  0.894298  0.940593  0.722077  1
  Ni  Ni209  1  0.737069  0.226482  0.620209  1
  Ni  Ni210  1  0.447047  0.905155  0.675819  1
  Ni  Ni211  1  0.156430  0.432766  0.723875  1
  Ni  Ni212  1  0.488290  0.767527  0.664780  1
  Ni  Ni213  1  0.180573  0.412384  0.678037  1
  Ni  Ni214  1  0.492246  0.738089  0.619442  1
  Ni  Ni215  1  0.487855  0.437678  0.720847  1
  Ni  Ni216  1  0.816950  0.764359  0.667064  1
  Ni  Ni217  1  0.851824  0.412759  0.674343  1
  Ni  Ni218  1  0.163918  0.739952  0.617377  1
  Ni  Ni219  1  0.304607  0.314757  0.711805  1
  Ni  Ni220  1  0.607451  0.638199  0.658833  1
  Ni  Ni221  1  0.011705  0.543245  0.684738  1
  Ni  Ni222  1  0.352682  0.866459  0.627777  1
  Ni  Ni223  1  0.260178  0.130944  0.657408  1
  Ni  Ni224  1  0.993820  0.801009  0.710523  1
  Ni  Ni225  1  0.685408  0.367685  0.629973  1
  Ni  Ni226  1  0.398213  0.044659  0.688533  1
  Ni  Ni227  1  0.603344  0.130657  0.657322  1
  Ni  Ni228  1  0.333826  0.806460  0.711582  1
  Ni  Ni229  1  0.337594  0.369657  0.630212  1
  Ni  Ni230  1  0.062742  0.042838  0.688431  1
  Ni  Ni231  1  0.543569  0.002207  0.640641  1
  Ni  Ni232  1  0.151185  0.677426  0.697518  1
