# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89583009
_cell_length_b   20.64579699
_cell_length_c   47.41655596
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.11305101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8514.70304443
_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  0.132797  0.027537  0.347285  1
  Zr  Zr2  1  0.400252  0.441949  0.302369  1
  Zr  Zr3  1  0.964942  0.792494  0.350681  1
  Zr  Zr4  1  0.230551  0.209542  0.307372  1
  Zr  Zr5  1  0.054470  0.627495  0.307847  1
  Zr  Zr6  1  0.787404  0.213937  0.352316  1
  Zr  Zr7  1  0.562692  0.016124  0.302624  1
  Zr  Zr8  1  0.313235  0.603286  0.347129  1
  Zr  Zr9  1  0.699529  0.954300  0.365177  1
  Zr  Zr10  1  0.962694  0.365933  0.320167  1
  Zr  Zr11  1  0.390759  0.865299  0.334983  1
  Zr  Zr12  1  0.651748  0.273490  0.291881  1
  Zr  Zr13  1  0.962653  0.946790  0.289642  1
  Zr  Zr14  1  0.718183  0.526520  0.332659  1
  Zr  Zr15  1  0.646866  0.702858  0.320840  1
  Zr  Zr16  1  0.377271  0.287352  0.367837  1
  Zr  Zr17  1  0.611007  0.193159  0.437710  1
  Zr  Zr18  1  0.875623  0.610164  0.391437  1
  Zr  Zr19  1  0.432976  0.960497  0.443638  1
  Zr  Zr20  1  0.697803  0.376744  0.398729  1
  Zr  Zr21  1  0.524323  0.799144  0.396916  1
  Zr  Zr22  1  0.261392  0.382709  0.443745  1
  Zr  Zr23  1  0.045734  0.189097  0.392407  1
  Zr  Zr24  1  0.783063  0.771796  0.436344  1
  Zr  Zr25  1  0.176161  0.122250  0.456545  1
  Zr  Zr26  1  0.439889  0.539266  0.410726  1
  Zr  Zr27  1  0.866403  0.031787  0.424968  1
  Zr  Zr28  1  0.130457  0.447638  0.380297  1
  Zr  Zr29  1  0.450590  0.115893  0.377164  1
  Zr  Zr30  1  0.191234  0.699300  0.421615  1
  Zr  Zr31  1  0.115181  0.871378  0.412160  1
  Zr  Zr32  1  0.853465  0.455630  0.458326  1
  Zr  Zr33  1  0.087123  0.359402  0.528250  1
  Zr  Zr34  1  0.349053  0.776913  0.482196  1
  Zr  Zr35  1  0.908886  0.126769  0.535255  1
  Zr  Zr36  1  0.170817  0.544280  0.489200  1
  Zr  Zr37  1  -0.001507  0.965382  0.488875  1
  Zr  Zr38  1  0.736161  0.548865  0.534280  1
  Zr  Zr39  1  0.521778  0.354817  0.483171  1
  Zr  Zr40  1  0.259446  0.938300  0.528576  1
  Zr  Zr41  1  0.652059  0.288666  0.547495  1
  Zr  Zr42  1  0.915166  0.706189  0.501112  1
  Zr  Zr43  1  0.342774  0.197493  0.516339  1
  Zr  Zr44  1  0.605880  0.615016  0.469956  1
  Zr  Zr45  1  0.929330  0.281699  0.468558  1
  Zr  Zr46  1  0.666587  0.865464  0.513412  1
  Zr  Zr47  1  0.591352  0.038217  0.504039  1
  Zr  Zr48  1  0.328609  0.621982  0.548893  1
  Zr  Zr49  1  0.560136  0.526938  0.618722  1
  Zr  Zr50  1  0.824963  0.943185  0.573812  1
  Zr  Zr51  1  0.382317  0.293518  0.626014  1
  Zr  Zr52  1  0.646932  0.710523  0.579741  1
  Zr  Zr53  1  0.474877  0.131886  0.581107  1
  Zr  Zr54  1  0.212205  0.714585  0.625044  1
  Zr  Zr55  1  -0.003453  0.520973  0.573706  1
  Zr  Zr56  1  0.733616  0.104538  0.620535  1
  Zr  Zr57  1  0.127483  0.456044  0.637154  1
  Zr  Zr58  1  0.391537  0.871895  0.592483  1
  Zr  Zr59  1  0.818051  0.364416  0.606725  1
  Zr  Zr60  1  0.081779  0.781432  0.560906  1
  Zr  Zr61  1  0.404474  0.448052  0.559125  1
  Zr  Zr62  1  0.142759  0.032303  0.605291  1
  Zr  Zr63  1  0.066706  0.204382  0.595836  1
  Zr  Zr64  1  0.807350  0.787789  0.640287  1
  Zr  Zr65  1  0.027389  0.694140  0.710079  1
  Zr  Zr66  1  0.292997  0.111188  0.666770  1
  Zr  Zr67  1  0.857688  0.461733  0.715081  1
  Zr  Zr68  1  0.125142  0.876145  0.670166  1
  Zr  Zr69  1  0.944705  0.300396  0.670322  1
  Zr  Zr70  1  0.695248  0.887558  0.714827  1
  Zr  Zr71  1  0.470535  0.689745  0.665135  1
  Zr  Zr72  1  0.203469  0.276187  0.709604  1
  Zr  Zr73  1  0.606192  0.630192  0.725570  1
  Zr  Zr74  1  0.867181  0.038383  0.682468  1
  Zr  Zr75  1  0.295246  0.537749  0.697284  1
  Zr  Zr76  1  0.558411  0.949382  0.652274  1
  Zr  Zr77  1  0.880668  0.616330  0.649614  1
  Zr  Zr78  1  0.611074  0.200824  0.696610  1
  Zr  Zr79  1  0.539756  0.377162  0.684792  1
  Zr  Zr80  1  0.295286  0.956892  0.727809  1
  Ni  Ni81  1  0.813005  0.824340  0.301005  1
  Ni  Ni82  1  0.548727  0.408454  0.349124  1
  Ni  Ni83  1  0.667546  0.912653  0.309235  1
  Ni  Ni84  1  0.415200  0.497503  0.354733  1
  Ni  Ni85  1  0.944951  0.732533  0.298916  1
  Ni  Ni86  1  0.682001  0.319985  0.344273  1
  Ni  Ni87  1  0.225617  0.157541  0.355021  1
  Ni  Ni88  1  0.501052  0.575183  0.311291  1
  Ni  Ni89  1  0.861892  0.658943  0.342530  1
  Ni  Ni90  1  0.109970  0.076249  0.299013  1
  Ni  Ni91  1  0.398521  0.894646  0.283699  1
  Ni  Ni92  1  0.167260  0.478664  0.328071  1
  Ni  Ni93  1  0.202144  0.750523  0.322286  1
  Ni  Ni94  1  0.925308  0.333438  0.372721  1
  Ni  Ni95  1  0.256031  0.971591  0.307999  1
  Ni  Ni96  1  0.008767  0.550104  0.352349  1
  Ni  Ni97  1  0.428449  0.992965  0.350457  1
  Ni  Ni98  1  0.694025  0.405141  0.304794  1
  Ni  Ni99  1  0.666982  0.824362  0.345382  1
  Ni  Ni100  1  0.933271  0.239139  0.300009  1
  Ni  Ni101  1  0.421080  0.735298  0.349102  1
  Ni  Ni102  1  0.682141  0.148190  0.306626  1
  Ni  Ni103  1  0.668446  0.081090  0.349127  1
  Ni  Ni104  1  0.943468  0.495699  0.303082  1
  Ni  Ni105  1  0.772959  0.616211  0.291725  1
  Ni  Ni106  1  0.500347  0.209450  0.335025  1
  Ni  Ni107  1  0.847493  0.025216  0.321884  1
  Ni  Ni108  1  0.597723  0.607957  0.365015  1
  Ni  Ni109  1  0.388416  0.096165  0.320510  1
  Ni  Ni110  1  0.128806  0.677973  0.364266  1
  Ni  Ni111  1  0.240372  0.551144  0.290797  1
  Ni  Ni112  1  0.965228  0.142524  0.331209  1
  Ni  Ni113  1  0.171558  0.907071  0.357428  1
  Ni  Ni114  1  0.438039  0.320063  0.314779  1
  Ni  Ni115  1  0.918371  0.912709  0.339616  1
  Ni  Ni116  1  0.186947  0.328483  0.297685  1
  Ni  Ni117  1  0.506941  0.793463  0.299926  1
  Ni  Ni118  1  0.255286  0.376746  0.345334  1
  Ni  Ni119  1  0.109283  0.855575  0.307408  1
  Ni  Ni120  1  0.842752  0.438647  0.353933  1
  Ni  Ni121  1  0.361010  0.673525  0.300013  1
  Ni  Ni122  1  0.090676  0.265783  0.344781  1
  Ni  Ni123  1  0.283055  0.994180  0.395029  1
  Ni  Ni124  1  0.022400  0.577451  0.440381  1
  Ni  Ni125  1  0.149172  0.083457  0.401294  1
  Ni  Ni126  1  0.889269  0.666532  0.445819  1
  Ni  Ni127  1  0.414853  0.905088  0.389607  1
  Ni  Ni128  1  0.155779  0.488548  0.434932  1
  Ni  Ni129  1  0.707728  0.324393  0.447383  1
  Ni  Ni130  1  0.969079  0.741287  0.400222  1
  Ni  Ni131  1  0.338278  0.829122  0.433675  1
  Ni  Ni132  1  0.601167  0.245586  0.389198  1
  Ni  Ni133  1  0.907895  0.070789  0.371834  1
  Ni  Ni134  1  0.649218  0.652120  0.416559  1
  Ni  Ni135  1  0.659381  0.918126  0.418023  1
  Ni  Ni136  1  0.396668  0.502509  0.463951  1
  Ni  Ni137  1  0.741716  0.134662  0.398808  1
  Ni  Ni138  1  0.481958  0.717688  0.443202  1
  Ni  Ni139  1  0.907480  0.160069  0.442520  1
  Ni  Ni140  1  0.169862  0.577456  0.396658  1
  Ni  Ni141  1  0.136435  0.993618  0.438706  1
  Ni  Ni142  1  0.401467  0.410017  0.393322  1
  Ni  Ni143  1  0.893136  0.903845  0.440946  1
  Ni  Ni144  1  0.157128  0.320575  0.396235  1
  Ni  Ni145  1  0.152556  0.250271  0.439221  1
  Ni  Ni146  1  0.416696  0.667108  0.393064  1
  Ni  Ni147  1  0.237583  0.793386  0.377670  1
  Ni  Ni148  1  0.975570  0.377275  0.424795  1
  Ni  Ni149  1  0.332277  0.193092  0.411497  1
  Ni  Ni150  1  0.069684  0.776680  0.455856  1
  Ni  Ni151  1  0.864708  0.260702  0.412647  1
  Ni  Ni152  1  0.602981  0.843749  0.457226  1
  Ni  Ni153  1  0.705172  0.725636  0.376616  1
  Ni  Ni154  1  0.442721  0.310163  0.424031  1
  Ni  Ni155  1  0.649447  0.072553  0.449560  1
  Ni  Ni156  1  0.913129  0.489811  0.403328  1
  Ni  Ni157  1  0.393860  0.081307  0.432005  1
  Ni  Ni158  1  0.657465  0.496318  0.386478  1
  Ni  Ni159  1  0.990170  0.962711  0.390231  1
  Ni  Ni160  1  0.732014  0.545902  0.435265  1
  Ni  Ni161  1  0.574331  0.025137  0.400058  1
  Ni  Ni162  1  0.313537  0.609052  0.445258  1
  Ni  Ni163  1  0.827441  0.851842  0.389975  1
  Ni  Ni164  1  0.563071  0.436978  0.437317  1
  Ni  Ni165  1  0.759862  0.160052  0.486434  1
  Ni  Ni166  1  0.498078  0.743630  0.531017  1
  Ni  Ni167  1  0.626092  0.248955  0.492282  1
  Ni  Ni168  1  0.364600  0.832521  0.536953  1
  Ni  Ni169  1  0.893340  0.071161  0.480498  1
  Ni  Ni170  1  0.631848  0.654727  0.525168  1
  Ni  Ni171  1  0.182676  0.490627  0.537602  1
  Ni  Ni172  1  0.444070  0.907839  0.492148  1
  Ni  Ni173  1  0.813870  0.995843  0.525303  1
  Ni  Ni174  1  0.075264  0.413055  0.479848  1
  Ni  Ni175  1  0.385386  0.234599  0.463087  1
  Ni  Ni176  1  0.123002  0.818738  0.507709  1
  Ni  Ni177  1  0.134937  0.084944  0.509742  1
  Ni  Ni178  1  0.872554  0.669083  0.554364  1
  Ni  Ni179  1  0.220448  0.300064  0.489426  1
  Ni  Ni180  1  0.957421  0.884069  0.534654  1
  Ni  Ni181  1  0.383141  0.326125  0.533361  1
  Ni  Ni182  1  0.645761  0.743684  0.487110  1
  Ni  Ni183  1  0.612179  0.159998  0.530340  1
  Ni  Ni184  1  0.874798  0.577557  0.484090  1
  Ni  Ni185  1  0.368760  0.070152  0.533648  1
  Ni  Ni186  1  0.630333  0.487337  0.487454  1
  Ni  Ni187  1  0.627607  0.416345  0.529997  1
  Ni  Ni188  1  0.889180  0.833530  0.483803  1
  Ni  Ni189  1  0.712596  0.960549  0.469824  1
  Ni  Ni190  1  0.450261  0.544196  0.515411  1
  Ni  Ni191  1  0.807679  0.359486  0.502040  1
  Ni  Ni192  1  0.545344  0.943133  0.547626  1
  Ni  Ni193  1  0.340919  0.426777  0.503065  1
  Ni  Ni194  1  0.078417  0.010304  0.548926  1
  Ni  Ni195  1  0.179523  0.893378  0.468525  1
  Ni  Ni196  1  0.917021  0.476905  0.514386  1
  Ni  Ni197  1  0.125271  0.238523  0.540772  1
  Ni  Ni198  1  0.388499  0.656226  0.494322  1
  Ni  Ni199  1  0.869440  0.247456  0.523129  1
  Ni  Ni200  1  0.132669  0.665159  0.476679  1
  Ni  Ni201  1  0.468519  0.128533  0.481440  1
  Ni  Ni202  1  0.206913  0.712264  0.525960  1
  Ni  Ni203  1  0.051026  0.191418  0.491491  1
  Ni  Ni204  1  0.789420  0.775149  0.536011  1
  Ni  Ni205  1  0.300519  0.019613  0.482797  1
  Ni  Ni206  1  0.037492  0.603618  0.528024  1
  Ni  Ni207  1  0.235540  0.326231  0.577069  1
  Ni  Ni208  1  0.974884  0.909502  0.622422  1
  Ni  Ni209  1  0.102161  0.415134  0.582519  1
  Ni  Ni210  1  0.843087  0.998593  0.627844  1
  Ni  Ni211  1  0.368670  0.237150  0.571632  1
  Ni  Ni212  1  0.108768  0.820225  0.616157  1
  Ni  Ni213  1  0.656772  0.658096  0.628253  1
  Ni  Ni214  1  0.919662  0.074560  0.583776  1
  Ni  Ni215  1  0.288860  0.162395  0.617229  1
  Ni  Ni216  1  0.550212  0.579289  0.570068  1
  Ni  Ni217  1  0.861272  0.401173  0.553500  1
  Ni  Ni218  1  0.598559  0.985556  0.599428  1
  Ni  Ni219  1  0.608722  0.251562  0.600892  1
  Ni  Ni220  1  0.350044  0.832893  0.645617  1
  Ni  Ni221  1  0.694868  0.466704  0.580134  1
  Ni  Ni222  1  0.430498  0.051840  0.627475  1
  Ni  Ni223  1  0.856473  0.493665  0.624129  1
  Ni  Ni224  1  0.121504  0.910064  0.578745  1
  Ni  Ni225  1  0.088077  0.326226  0.620793  1
  Ni  Ni226  1  0.350460  0.743613  0.574931  1
  Ni  Ni227  1  0.841244  0.236574  0.624387  1
  Ni  Ni228  1  0.105384  0.653411  0.578230  1
  Ni  Ni229  1  0.100812  0.583107  0.621216  1
  Ni  Ni230  1  0.364804  0.999837  0.576504  1
  Ni  Ni231  1  0.188256  0.127002  0.561594  1
  Ni  Ni232  1  0.925663  0.710590  0.605954  1
  Ni  Ni233  1  0.282370  0.526407  0.592656  1
  Ni  Ni234  1  0.020357  0.110296  0.639780  1
  Ni  Ni235  1  0.815219  0.593519  0.593420  1
  Ni  Ni236  1  0.552768  0.178046  0.640835  1
  Ni  Ni237  1  0.654959  0.059933  0.560224  1
  Ni  Ni238  1  0.393232  0.642980  0.604803  1
  Ni  Ni239  1  0.600474  0.407364  0.630973  1
  Ni  Ni240  1  0.864079  0.822374  0.585446  1
  Ni  Ni241  1  0.344810  0.413871  0.614123  1
  Ni  Ni242  1  0.608493  0.831129  0.567890  1
  Ni  Ni243  1  0.944403  0.294630  0.572193  1
  Ni  Ni244  1  0.683609  0.878545  0.617393  1
  Ni  Ni245  1  0.525925  0.357780  0.582185  1
  Ni  Ni246  1  0.267770  0.940971  0.627219  1
  Ni  Ni247  1  0.775982  0.185993  0.574249  1
  Ni  Ni248  1  0.516224  0.769020  0.618643  1
  Ni  Ni249  1  0.709213  0.495228  0.668326  1
  Ni  Ni250  1  0.444935  0.079342  0.716446  1
  Ni  Ni251  1  0.575938  0.583697  0.673178  1
  Ni  Ni252  1  0.312989  0.171149  0.718535  1
  Ni  Ni253  1  0.842739  0.406179  0.662718  1
  Ni  Ni254  1  0.590393  0.991029  0.708216  1
  Ni  Ni255  1  0.147970  0.827433  0.718438  1
  Ni  Ni256  1  0.396048  0.244739  0.674921  1
  Ni  Ni257  1  0.756887  0.328499  0.706160  1
  Ni  Ni258  1  0.032323  0.746141  0.662430  1
  Ni  Ni259  1  0.332632  0.570243  0.644730  1
  Ni  Ni260  1  0.055796  0.153159  0.695165  1
  Ni  Ni261  1  0.090680  0.425018  0.689380  1
  Ni  Ni262  1  0.859418  0.009036  0.733751  1
  Ni  Ni263  1  0.167264  0.637899  0.672670  1
  Ni  Ni264  1  0.896929  0.230157  0.717438  1
  Ni  Ni265  1  0.324669  0.664543  0.717442  1
  Ni  Ni266  1  0.590957  0.079320  0.672069  1
  Ni  Ni267  1  0.563915  0.498541  0.712657  1
  Ni  Ni268  1  0.829491  0.910717  0.666994  1
  Ni  Ni269  1  0.314472  0.407983  0.714369  1
  Ni  Ni270  1  0.589493  0.822592  0.668324  1
  Ni  Ni271  1  0.575799  0.755492  0.710825  1
  Ni  Ni272  1  0.836860  0.168384  0.668348  1
  Ni  Ni273  1  0.660216  0.295725  0.652436  1
  Ni  Ni274  1  0.410446  0.878465  0.695567  1
  Ni  Ni275  1  0.757593  0.694232  0.682426  1
  Ni  Ni276  1  0.484981  0.287471  0.725726  1
  Ni  Ni277  1  0.292711  0.761158  0.686241  1
  Ni  Ni278  1  0.017568  0.352538  0.726654  1
  Ni  Ni279  1  0.129134  0.225709  0.653185  1
  Ni  Ni280  1  0.869524  0.807517  0.696941  1
  Ni  Ni281  1  0.070992  0.575199  0.719766  1
  Ni  Ni282  1  0.339569  0.990973  0.677834  1
  Ni  Ni283  1  0.819901  0.583619  0.702672  1
  Ni  Ni284  1  0.086382  0.996611  0.660023  1
  Ni  Ni285  1  0.415187  0.465035  0.663518  1
  Ni  Ni286  1  0.148656  0.048107  0.710043  1
  Ni  Ni287  1  0.002654  0.526936  0.672116  1
  Ni  Ni288  1  0.750998  0.110219  0.717525  1
  Ni  Ni289  1  0.249172  0.353578  0.665102  1
  Ni  Ni290  1  0.001909  0.932091  0.709452  1
