# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.53037508
_cell_length_b   12.56330331
_cell_length_c   53.87400302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   49.59739371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8520.02246378
_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  1.001670  0.574396  0.323541  1
  Zr  Zr2  1  0.734671  0.403933  0.278407  1
  Zr  Zr3  1  0.932370  0.078836  0.323879  1
  Zr  Zr4  1  0.658972  0.918291  0.278820  1
  Zr  Zr5  1  0.612537  0.294326  0.338558  1
  Zr  Zr6  1  0.339063  0.124300  0.295348  1
  Zr  Zr7  1  0.323695  0.363678  0.308902  1
  Zr  Zr8  1  0.065982  0.154569  0.265826  1
  Zr  Zr9  1  0.261389  0.688003  0.298440  1
  Zr  Zr10  1  0.531596  0.861280  0.343696  1
  Zr  Zr11  1  0.147605  0.604928  0.262743  1
  Zr  Zr12  1  0.409499  0.787303  0.305162  1
  Zr  Zr13  1  0.579682  0.306623  0.272061  1
  Zr  Zr14  1  0.839126  0.500591  0.315195  1
  Zr  Zr15  1  0.828851  0.982698  0.285582  1
  Zr  Zr16  1  0.097882  0.151108  0.333104  1
  Zr  Zr17  1  0.540591  0.921471  0.415901  1
  Zr  Zr18  1  0.272447  0.746607  0.370179  1
  Zr  Zr19  1  0.472792  0.425017  0.415855  1
  Zr  Zr20  1  0.203123  0.251686  0.370469  1
  Zr  Zr21  1  0.148906  0.641104  0.430673  1
  Zr  Zr22  1  0.879450  0.468639  0.384787  1
  Zr  Zr23  1  0.864063  0.706561  0.400723  1
  Zr  Zr24  1  0.596180  0.533780  0.354635  1
  Zr  Zr25  1  0.797920  0.036720  0.389379  1
  Zr  Zr26  1  0.066764  0.210788  0.435587  1
  Zr  Zr27  1  0.677148  0.961920  0.349869  1
  Zr  Zr28  1  0.944420  0.137795  0.396372  1
  Zr  Zr29  1  0.109012  0.671094  0.362236  1
  Zr  Zr30  1  0.379628  0.842116  0.408362  1
  Zr  Zr31  1  0.365565  0.329033  0.377825  1
  Zr  Zr32  1  0.633269  0.504344  0.424020  1
  Zr  Zr33  1  0.076833  0.270735  0.507823  1
  Zr  Zr34  1  0.808068  0.096914  0.461935  1
  Zr  Zr35  1  0.010141  0.773364  0.507867  1
  Zr  Zr36  1  0.741376  0.599543  0.461978  1
  Zr  Zr37  1  0.686423  0.989730  0.522644  1
  Zr  Zr38  1  0.417181  0.815408  0.476999  1
  Zr  Zr39  1  0.401028  0.054869  0.492803  1
  Zr  Zr40  1  0.131787  0.880548  0.447157  1
  Zr  Zr41  1  0.335653  0.385107  0.481362  1
  Zr  Zr42  1  0.604527  0.558759  0.527545  1
  Zr  Zr43  1  0.213682  0.311519  0.442256  1
  Zr  Zr44  1  0.482557  0.485171  0.488439  1
  Zr  Zr45  1  0.647699  0.017752  0.453929  1
  Zr  Zr46  1  0.915970  0.191917  0.499988  1
  Zr  Zr47  1  0.902240  0.678361  0.469814  1
  Zr  Zr48  1  0.170511  0.852526  0.515872  1
  Zr  Zr49  1  0.615086  0.618592  0.599332  1
  Zr  Zr50  1  0.345417  0.445261  0.553946  1
  Zr  Zr51  1  0.545763  0.123670  0.599622  1
  Zr  Zr52  1  0.277618  0.948807  0.553900  1
  Zr  Zr53  1  0.222030  0.336498  0.615166  1
  Zr  Zr54  1  0.954146  0.163717  0.569079  1
  Zr  Zr55  1  0.938759  0.401639  0.585014  1
  Zr  Zr56  1  0.669303  0.229173  0.539128  1
  Zr  Zr57  1  0.873789  0.732483  0.573429  1
  Zr  Zr58  1  0.141061  0.908357  0.619932  1
  Zr  Zr59  1  0.751445  0.659489  0.534214  1
  Zr  Zr60  1  0.020289  0.833558  0.580422  1
  Zr  Zr61  1  0.184941  0.365934  0.545781  1
  Zr  Zr62  1  0.452644  0.541244  0.591976  1
  Zr  Zr63  1  0.438581  0.028161  0.561440  1
  Zr  Zr64  1  0.709197  0.199184  0.607565  1
  Zr  Zr65  1  0.159237  0.951987  0.690981  1
  Zr  Zr66  1  0.885839  0.791442  0.645922  1
  Zr  Zr67  1  0.083538  0.466345  0.691395  1
  Zr  Zr68  1  0.816539  0.295882  0.646260  1
  Zr  Zr69  1  0.752228  0.715709  0.703975  1
  Zr  Zr70  1  0.494514  0.506600  0.660899  1
  Zr  Zr71  1  0.479146  0.745977  0.674453  1
  Zr  Zr72  1  0.205672  0.575952  0.631244  1
  Zr  Zr73  1  0.408710  0.082975  0.664639  1
  Zr  Zr74  1  0.670604  0.265350  0.707058  1
  Zr  Zr75  1  0.286613  0.008998  0.626105  1
  Zr  Zr76  1  0.556820  0.182275  0.671361  1
  Zr  Zr77  1  0.720327  0.719169  0.636697  1
  Zr  Zr78  1  0.989358  0.887580  0.684219  1
  Zr  Zr79  1  0.979083  0.369687  0.654606  1
  Zr  Zr80  1  0.238528  0.563655  0.697740  1
  Ni  Ni81  1  0.967453  0.827545  0.323141  1
  Ni  Ni82  1  0.703334  0.657616  0.274803  1
  Ni  Ni83  1  0.142941  0.615511  0.311116  1
  Ni  Ni84  1  0.887008  0.424774  0.266816  1
  Ni  Ni85  1  0.792371  0.038219  0.336979  1
  Ni  Ni86  1  0.524599  0.865267  0.291382  1
  Ni  Ni87  1  0.200256  0.432427  0.346004  1
  Ni  Ni88  1  0.933484  0.257962  0.302024  1
  Ni  Ni89  1  0.739396  0.218882  0.302234  1
  Ni  Ni90  1  0.458754  0.049328  0.259482  1
  Ni  Ni91  1  0.413909  0.609314  0.332976  1
  Ni  Ni92  1  0.139521  0.435791  0.287435  1
  Ni  Ni93  1  0.524119  0.042748  0.314392  1
  Ni  Ni94  1  0.259213  0.866525  0.269953  1
  Ni  Ni95  1  0.570943  0.487582  0.304455  1
  Ni  Ni96  1  0.299932  0.314089  0.260303  1
  Ni  Ni97  1  0.358232  0.461008  0.267613  1
  Ni  Ni98  1  0.626305  0.631451  0.312229  1
  Ni  Ni99  1  0.044182  0.850849  0.287142  1
  Ni  Ni100  1  0.316793  0.018664  0.334792  1
  Ni  Ni101  1  0.484519  0.241148  0.339875  1
  Ni  Ni102  1  0.213348  0.065202  0.296085  1
  Ni  Ni103  1  0.454403  0.413035  0.307296  1
  Ni  Ni104  1  0.195723  0.219527  0.262976  1
  Ni  Ni105  1  0.638086  0.112103  0.307413  1
  Ni  Ni106  1  0.360585  0.948177  0.264324  1
  Ni  Ni107  1  0.300726  0.538518  0.341464  1
  Ni  Ni108  1  0.039419  0.347103  0.295489  1
  Ni  Ni109  1  0.482033  0.203267  0.280345  1
  Ni  Ni110  1  0.754249  0.373414  0.325986  1
  Ni  Ni111  1  0.915274  0.115533  0.275515  1
  Ni  Ni112  1  0.181799  0.281128  0.322448  1
  Ni  Ni113  1  0.811142  0.834015  0.314356  1
  Ni  Ni114  1  0.542527  0.666126  0.269602  1
  Ni  Ni115  1  0.122684  0.823491  0.332352  1
  Ni  Ni116  1  0.859867  0.645187  0.285173  1
  Ni  Ni117  1  0.973735  0.713236  0.284313  1
  Ni  Ni118  1  0.245025  0.881493  0.330040  1
  Ni  Ni119  1  0.432656  0.589665  0.273820  1
  Ni  Ni120  1  0.696192  0.768365  0.316697  1
  Ni  Ni121  1  0.371944  0.161895  0.343888  1
  Ni  Ni122  1  0.102556  0.984955  0.298687  1
  Ni  Ni123  1  0.506678  0.173554  0.415800  1
  Ni  Ni124  1  0.237782  0.998553  0.370730  1
  Ni  Ni125  1  0.683167  0.961704  0.402316  1
  Ni  Ni126  1  0.414516  0.786938  0.357259  1
  Ni  Ni127  1  0.329671  0.385908  0.429274  1
  Ni  Ni128  1  0.059667  0.212557  0.383664  1
  Ni  Ni129  1  0.738982  0.779956  0.437403  1
  Ni  Ni130  1  0.471226  0.604305  0.391466  1
  Ni  Ni131  1  0.274306  0.566540  0.393947  1
  Ni  Ni132  1  1.003647  0.393383  0.347635  1
  Ni  Ni133  1  0.947978  0.960596  0.425135  1
  Ni  Ni134  1  0.681205  0.784681  0.379224  1
  Ni  Ni135  1  0.062951  0.388616  0.406792  1
  Ni  Ni136  1  0.794432  0.214966  0.360828  1
  Ni  Ni137  1  0.103152  0.838264  0.396903  1
  Ni  Ni138  1  0.834246  0.665075  0.350139  1
  Ni  Ni139  1  0.890320  0.805585  0.359500  1
  Ni  Ni140  1  0.158734  0.979223  0.406434  1
  Ni  Ni141  1  0.584961  0.194047  0.379547  1
  Ni  Ni142  1  0.853189  0.368442  0.425796  1
  Ni  Ni143  1  0.021524  0.588055  0.432165  1
  Ni  Ni144  1  0.752468  0.414834  0.386352  1
  Ni  Ni145  1  0.989017  0.762205  0.399569  1
  Ni  Ni146  1  0.722529  0.585624  0.353383  1
  Ni  Ni147  1  0.173411  0.462664  0.398657  1
  Ni  Ni148  1  0.903562  0.290409  0.352800  1
  Ni  Ni149  1  0.837819  0.886388  0.433047  1
  Ni  Ni150  1  0.570636  0.710808  0.387245  1
  Ni  Ni151  1  0.021897  0.545837  0.372077  1
  Ni  Ni152  1  0.291313  0.719886  0.418470  1
  Ni  Ni153  1  0.453575  0.451778  0.367275  1
  Ni  Ni154  1  0.721192  0.626939  0.413644  1
  Ni  Ni155  1  0.350695  0.177953  0.407376  1
  Ni  Ni156  1  0.082126  1.001147  0.361811  1
  Ni  Ni157  1  0.662256  0.169399  0.424381  1
  Ni  Ni158  1  0.394276  0.994248  0.378978  1
  Ni  Ni159  1  0.512585  0.058684  0.375566  1
  Ni  Ni160  1  0.779369  0.234348  0.421508  1
  Ni  Ni161  1  0.962500  0.940362  0.364338  1
  Ni  Ni162  1  0.232287  0.113701  0.410745  1
  Ni  Ni163  1  0.908744  0.509795  0.435081  1
  Ni  Ni164  1  0.640448  0.335646  0.389042  1
  Ni  Ni165  1  0.043479  0.522069  0.507852  1
  Ni  Ni166  1  0.774731  0.348209  0.461949  1
  Ni  Ni167  1  0.220043  0.310329  0.494286  1
  Ni  Ni168  1  0.951172  0.136026  0.448441  1
  Ni  Ni169  1  0.867037  0.734252  0.521360  1
  Ni  Ni170  1  0.598166  0.559949  0.475515  1
  Ni  Ni171  1  0.275332  0.128551  0.529178  1
  Ni  Ni172  1  1.006282  0.954647  0.483581  1
  Ni  Ni173  1  0.811927  0.915630  0.486220  1
  Ni  Ni174  1  0.542877  0.741727  0.440623  1
  Ni  Ni175  1  0.485688  0.308771  0.517097  1
  Ni  Ni176  1  0.217210  0.134128  0.471138  1
  Ni  Ni177  1  0.600999  0.736150  0.498664  1
  Ni  Ni178  1  0.332522  0.561507  0.452704  1
  Ni  Ni179  1  0.640745  0.186688  0.488746  1
  Ni  Ni180  1  0.372575  0.012086  0.442763  1
  Ni  Ni181  1  0.427913  0.153744  0.451921  1
  Ni  Ni182  1  0.696389  0.327762  0.498105  1
  Ni  Ni183  1  0.121821  0.542516  0.471696  1
  Ni  Ni184  1  0.390297  0.716533  0.517880  1
  Ni  Ni185  1  0.559460  0.935390  0.523976  1
  Ni  Ni186  1  0.290893  0.760494  0.478262  1
  Ni  Ni187  1  0.527317  0.109784  0.491539  1
  Ni  Ni188  1  0.258749  0.934887  0.445825  1
  Ni  Ni189  1  0.711981  0.809776  0.490712  1
  Ni  Ni190  1  0.443193  0.635021  0.444929  1
  Ni  Ni191  1  0.375017  0.235257  0.524872  1
  Ni  Ni192  1  0.106228  0.060502  0.479089  1
  Ni  Ni193  1  0.560364  0.895066  0.464369  1
  Ni  Ni194  1  0.828350  0.069172  0.510460  1
  Ni  Ni195  1  0.989860  0.801106  0.459341  1
  Ni  Ni196  1  0.257846  0.975212  0.505432  1
  Ni  Ni197  1  0.887562  0.526637  0.499324  1
  Ni  Ni198  1  0.618626  0.352590  0.453411  1
  Ni  Ni199  1  0.199584  0.517688  0.516390  1
  Ni  Ni200  1  0.930647  0.343641  0.470477  1
  Ni  Ni201  1  0.048344  0.408188  0.467427  1
  Ni  Ni202  1  0.316878  0.582352  0.513532  1
  Ni  Ni203  1  0.501331  0.287926  0.456269  1
  Ni  Ni204  1  0.769866  0.462090  0.502375  1
  Ni  Ni205  1  0.445634  0.858191  0.527039  1
  Ni  Ni206  1  0.177464  0.683590  0.481055  1
  Ni  Ni207  1  0.580428  0.871725  0.599071  1
  Ni  Ni208  1  0.311532  0.696723  0.554002  1
  Ni  Ni209  1  0.758542  0.657721  0.586137  1
  Ni  Ni210  1  0.488538  0.484370  0.540528  1
  Ni  Ni211  1  0.403693  0.083340  0.612542  1
  Ni  Ni212  1  0.135042  0.908574  0.567485  1
  Ni  Ni213  1  0.814563  0.476895  0.622166  1
  Ni  Ni214  1  0.543904  0.303738  0.575855  1
  Ni  Ni215  1  0.346983  0.265973  0.578335  1
  Ni  Ni216  1  0.079228  0.090322  0.532398  1
  Ni  Ni217  1  0.023777  0.655312  0.608973  1
  Ni  Ni218  1  0.755259  0.481662  0.563010  1
  Ni  Ni219  1  0.137004  0.085597  0.590577  1
  Ni  Ni220  1  0.870231  0.909682  0.544666  1
  Ni  Ni221  1  0.177761  0.534631  0.580759  1
  Ni  Ni222  1  0.909466  0.360483  0.534720  1
  Ni  Ni223  1  0.965020  0.501836  0.544005  1
  Ni  Ni224  1  0.233248  0.676230  0.590254  1
  Ni  Ni225  1  0.659475  0.891055  0.563367  1
  Ni  Ni226  1  0.927889  0.064693  0.610301  1
  Ni  Ni227  1  0.095681  0.284654  0.616418  1
  Ni  Ni228  1  0.829192  0.108073  0.570232  1
  Ni  Ni229  1  0.065742  0.455443  0.583449  1
  Ni  Ni230  1  0.796686  0.282223  0.537636  1
  Ni  Ni231  1  0.247573  0.159470  0.582556  1
  Ni  Ni232  1  0.980391  0.983890  0.536754  1
  Ni  Ni233  1  0.914647  0.579869  0.617001  1
  Ni  Ni234  1  0.644799  0.407613  0.571144  1
  Ni  Ni235  1  0.097017  0.243338  0.556157  1
  Ni  Ni236  1  0.364635  0.418500  0.602526  1
  Ni  Ni237  1  0.526896  0.150391  0.551331  1
  Ni  Ni238  1  0.796312  0.324441  0.597724  1
  Ni  Ni239  1  0.423933  0.876030  0.590823  1
  Ni  Ni240  1  0.155954  0.700879  0.545421  1
  Ni  Ni241  1  0.736083  0.869130  0.607990  1
  Ni  Ni242  1  0.467515  0.692325  0.562425  1
  Ni  Ni243  1  0.585922  0.756577  0.559056  1
  Ni  Ni244  1  0.855710  0.929916  0.605463  1
  Ni  Ni245  1  0.038840  0.635929  0.548293  1
  Ni  Ni246  1  0.305624  0.811594  0.594235  1
  Ni  Ni247  1  0.983964  0.205203  0.619662  1
  Ni  Ni248  1  0.715057  0.032014  0.572898  1
  Ni  Ni249  1  0.114876  0.212662  0.694998  1
  Ni  Ni250  1  0.850756  0.042733  0.646660  1
  Ni  Ni251  1  0.293610  1.005011  0.678419  1
  Ni  Ni252  1  0.025838  0.832058  0.632822  1
  Ni  Ni253  1  0.931201  0.445504  0.702985  1
  Ni  Ni254  1  0.675268  0.254767  0.658685  1
  Ni  Ni255  1  0.359456  0.820950  0.710319  1
  Ni  Ni256  1  0.078814  0.651396  0.667567  1
  Ni  Ni257  1  0.884725  0.612316  0.667777  1
  Ni  Ni258  1  0.617954  0.437851  0.623797  1
  Ni  Ni259  1  0.558996  1.003753  0.699848  1
  Ni  Ni260  1  0.294090  0.827530  0.655409  1
  Ni  Ni261  1  0.678688  0.434487  0.682366  1
  Ni  Ni262  1  0.404300  0.260963  0.636825  1
  Ni  Ni263  1  0.715654  0.885323  0.671115  1
  Ni  Ni264  1  0.446265  0.708383  0.625913  1
  Ni  Ni265  1  0.501417  0.851614  0.635010  1
  Ni  Ni266  1  0.774027  0.019429  0.682659  1
  Ni  Ni267  1  0.191905  0.238827  0.657572  1
  Ni  Ni268  1  0.459977  0.409269  0.702188  1
  Ni  Ni269  1  0.622487  0.650751  0.706825  1
  Ni  Ni270  1  0.363807  0.457243  0.662505  1
  Ni  Ni271  1  0.604861  0.805076  0.673716  1
  Ni  Ni272  1  0.333691  0.629129  0.629927  1
  Ni  Ni273  1  0.778790  0.523174  0.674313  1
  Ni  Ni274  1  0.517483  0.331759  0.628337  1
  Ni  Ni275  1  0.457624  0.922101  0.705477  1
  Ni  Ni276  1  0.180123  0.758174  0.662388  1
  Ni  Ni277  1  0.636410  0.589150  0.647353  1
  Ni  Ni278  1  0.902935  0.754745  0.694287  1
  Ni  Ni279  1  0.063960  0.496864  0.643815  1
  Ni  Ni280  1  0.336176  0.667010  0.689456  1
  Ni  Ni281  1  0.958342  0.225091  0.684628  1
  Ni  Ni282  1  0.695525  0.046787  0.637449  1
  Ni  Ni283  1  0.275683  0.204152  0.700199  1
  Ni  Ni284  1  0.007067  0.036263  0.655446  1
  Ni  Ni285  1  0.122018  0.101913  0.653104  1
  Ni  Ni286  1  0.385553  0.280613  0.695981  1
  Ni  Ni287  1  0.573185  0.988784  0.639762  1
  Ni  Ni288  1  0.844475  0.157042  0.685489  1
  Ni  Ni289  1  0.518277  0.556189  0.709498  1
  Ni  Ni290  1  0.247266  0.382696  0.665346  1
