# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70884087
_cell_length_b   17.92458435
_cell_length_c   55.55321121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.56945074
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8646.07251942
_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  0.923103  0.391072  0.280615  1
  Zr  Zr2  1  0.811674  0.790029  0.324411  1
  Zr  Zr3  1  0.410023  0.831964  0.287172  1
  Zr  Zr4  1  0.307089  0.233119  0.331422  1
  Zr  Zr5  1  0.543843  0.591892  0.299953  1
  Zr  Zr6  1  0.441383  0.995757  0.344016  1
  Zr  Zr7  1  0.781483  0.619846  0.267054  1
  Zr  Zr8  1  0.681499  0.026530  0.312103  1
  Zr  Zr9  1  0.970685  0.452881  0.345232  1
  Zr  Zr10  1  0.095725  0.044563  0.299261  1
  Zr  Zr11  1  0.130937  0.573794  0.312623  1
  Zr  Zr12  1  0.272562  0.159658  0.271447  1
  Zr  Zr13  1  0.912532  0.848397  0.269404  1
  Zr  Zr14  1  0.811626  0.254839  0.314573  1
  Zr  Zr15  1  0.424471  0.365141  0.294590  1
  Zr  Zr16  1  0.317274  0.768610  0.342559  1
  Zr  Zr17  1  0.705339  0.198641  0.370619  1
  Zr  Zr18  1  0.580185  0.607951  0.416243  1
  Zr  Zr19  1  0.176612  0.644693  0.378010  1
  Zr  Zr20  1  0.071989  0.050954  0.423709  1
  Zr  Zr21  1  0.315988  0.412465  0.390447  1
  Zr  Zr22  1  0.205436  0.815385  0.436308  1
  Zr  Zr23  1  0.567285  0.428312  0.357374  1
  Zr  Zr24  1  0.443639  0.844204  0.403943  1
  Zr  Zr25  1  0.749925  0.268190  0.436106  1
  Zr  Zr26  1  0.858713  0.861949  0.390358  1
  Zr  Zr27  1  0.911302  0.388594  0.403255  1
  Zr  Zr28  1  0.028279  0.979045  0.357742  1
  Zr  Zr29  1  0.669378  0.666083  0.360424  1
  Zr  Zr30  1  0.568889  0.073053  0.405631  1
  Zr  Zr31  1  0.213792  0.176587  0.387762  1
  Zr  Zr32  1  0.081996  0.585621  0.434186  1
  Zr  Zr33  1  0.473217  0.014266  0.462057  1
  Zr  Zr34  1  0.356941  0.422259  0.507823  1
  Zr  Zr35  1  0.954543  0.457801  0.469344  1
  Zr  Zr36  1  0.838478  0.865657  0.515213  1
  Zr  Zr37  1  0.094893  0.224008  0.481962  1
  Zr  Zr38  1  0.973748  0.631053  0.528108  1
  Zr  Zr39  1  0.337919  0.248930  0.449097  1
  Zr  Zr40  1  0.216543  0.656092  0.495258  1
  Zr  Zr41  1  0.520697  0.083277  0.527638  1
  Zr  Zr42  1  0.628272  0.676362  0.482240  1
  Zr  Zr43  1  0.683210  0.203722  0.494961  1
  Zr  Zr44  1  0.790914  0.796654  0.449605  1
  Zr  Zr45  1  0.451587  0.479910  0.451834  1
  Zr  Zr46  1  0.335043  0.887623  0.497429  1
  Zr  Zr47  1  0.976654  0.992289  0.479838  1
  Zr  Zr48  1  0.859768  0.400218  0.525357  1
  Zr  Zr49  1  0.239739  0.828950  0.553571  1
  Zr  Zr50  1  0.134809  0.235307  0.599132  1
  Zr  Zr51  1  0.731200  0.272123  0.560927  1
  Zr  Zr52  1  0.606223  0.681300  0.606685  1
  Zr  Zr53  1  0.867763  0.035901  0.573296  1
  Zr  Zr54  1  0.745628  0.451709  0.619990  1
  Zr  Zr55  1  0.106241  0.064520  0.540909  1
  Zr  Zr56  1  0.995299  0.467674  0.586563  1
  Zr  Zr57  1  0.283450  0.900821  0.619499  1
  Zr  Zr58  1  0.400195  0.491492  0.573957  1
  Zr  Zr59  1  0.452752  0.018089  0.586850  1
  Zr  Zr60  1  0.561689  0.611754  0.541143  1
  Zr  Zr61  1  0.229443  0.294368  0.542992  1
  Zr  Zr62  1  0.097834  0.703292  0.589501  1
  Zr  Zr63  1  0.742811  0.806865  0.571651  1
  Zr  Zr64  1  0.641830  0.214054  0.616779  1
  Zr  Zr65  1  0.004798  0.646610  0.645822  1
  Zr  Zr66  1  0.901304  0.048049  0.690019  1
  Zr  Zr67  1  0.499761  0.089996  0.652784  1
  Zr  Zr68  1  0.387168  0.488437  0.696162  1
  Zr  Zr69  1  0.629803  0.853438  0.665175  1
  Zr  Zr70  1  0.528520  0.261021  0.710119  1
  Zr  Zr71  1  0.870255  0.884061  0.633248  1
  Zr  Zr72  1  0.767469  0.287852  0.677142  1
  Zr  Zr73  1  0.039947  0.719533  0.705708  1
  Zr  Zr74  1  0.180350  0.306421  0.664415  1
  Zr  Zr75  1  0.215776  0.835935  0.677846  1
  Zr  Zr76  1  0.339904  0.427179  0.632124  1
  Zr  Zr77  1  0.994148  0.111311  0.634607  1
  Zr  Zr78  1  0.886347  0.514300  0.681888  1
  Zr  Zr79  1  0.499604  0.624706  0.662793  1
  Zr  Zr80  1  0.398914  0.031853  0.707781  1
  Ni  Ni81  1  0.111213  0.808752  0.304811  1
  Ni  Ni82  1  0.198963  0.405452  0.260081  1
  Ni  Ni83  1  0.043922  0.526542  0.268752  1
  Ni  Ni84  1  0.939851  0.927041  0.311541  1
  Ni  Ni85  1  0.284477  0.691086  0.299392  1
  Ni  Ni86  1  0.182092  0.096051  0.344863  1
  Ni  Ni87  1  0.560776  0.299842  0.336148  1
  Ni  Ni88  1  0.669604  0.900760  0.293799  1
  Ni  Ni89  1  0.553511  0.722832  0.315313  1
  Ni  Ni90  1  0.685266  0.314786  0.274901  1
  Ni  Ni91  1  0.855704  0.516306  0.302897  1
  Ni  Ni92  1  0.754612  0.918389  0.346825  1
  Ni  Ni93  1  0.474577  0.700069  0.267083  1
  Ni  Ni94  1  0.375681  0.104287  0.311373  1
  Ni  Ni95  1  0.819967  0.645624  0.315779  1
  Ni  Ni96  1  0.961922  0.234840  0.271706  1
  Ni  Ni97  1  0.998971  0.698618  0.286329  1
  Ni  Ni98  1  0.899781  0.103247  0.332907  1
  Ni  Ni99  1  0.329313  0.514910  0.277583  1
  Ni  Ni100  1  0.225245  0.918826  0.321966  1
  Ni  Ni101  1  0.421184  0.485098  0.320000  1
  Ni  Ni102  1  0.555172  0.081565  0.274777  1
  Ni  Ni103  1  0.679209  0.541218  0.337173  1
  Ni  Ni104  1  0.808358  0.135478  0.289281  1
  Ni  Ni105  1  0.388372  0.619858  0.338337  1
  Ni  Ni106  1  0.528061  0.211997  0.292499  1
  Ni  Ni107  1  0.712819  0.405744  0.317335  1
  Ni  Ni108  1  0.846467  0.998509  0.273575  1
  Ni  Ni109  1  0.705976  0.755255  0.281669  1
  Ni  Ni110  1  0.614721  0.152852  0.328133  1
  Ni  Ni111  1  0.626875  0.465832  0.280109  1
  Ni  Ni112  1  0.516524  0.867799  0.328135  1
  Ni  Ni113  1  0.065974  0.700822  0.332896  1
  Ni  Ni114  1  0.179721  0.295074  0.287764  1
  Ni  Ni115  1  0.047365  0.325806  0.323667  1
  Ni  Ni116  1  0.150420  0.917548  0.276900  1
  Ni  Ni117  1  0.157616  0.435867  0.303449  1
  Ni  Ni118  1  0.045477  0.840377  0.348379  1
  Ni  Ni119  1  0.191836  0.773799  0.263372  1
  Ni  Ni120  1  0.079627  0.182288  0.308784  1
  Ni  Ni121  1  0.291368  0.380822  0.339738  1
  Ni  Ni122  1  0.401176  0.979373  0.292760  1
  Ni  Ni123  1  0.878581  0.626490  0.396953  1
  Ni  Ni124  1  0.006235  0.214561  0.351398  1
  Ni  Ni125  1  0.825888  0.332558  0.357506  1
  Ni  Ni126  1  0.703759  0.744646  0.403817  1
  Ni  Ni127  1  0.056406  0.509577  0.390579  1
  Ni  Ni128  1  0.946300  0.913578  0.436300  1
  Ni  Ni129  1  0.329380  0.119269  0.431314  1
  Ni  Ni130  1  0.433072  0.713895  0.386420  1
  Ni  Ni131  1  0.323216  0.541417  0.409881  1
  Ni  Ni132  1  0.451699  0.127282  0.361752  1
  Ni  Ni133  1  0.641689  0.328438  0.393100  1
  Ni  Ni134  1  0.519419  0.736165  0.438659  1
  Ni  Ni135  1  0.242719  0.513935  0.355220  1
  Ni  Ni136  1  0.131008  0.923051  0.401458  1
  Ni  Ni137  1  0.593825  0.460375  0.408087  1
  Ni  Ni138  1  0.721434  0.049593  0.362488  1
  Ni  Ni139  1  0.772964  0.514449  0.379513  1
  Ni  Ni140  1  0.662949  0.921771  0.425220  1
  Ni  Ni141  1  0.111211  0.327283  0.368656  1
  Ni  Ni142  1  0.986949  0.736979  0.414913  1
  Ni  Ni143  1  0.200379  0.301342  0.411396  1
  Ni  Ni144  1  0.308917  0.893401  0.365826  1
  Ni  Ni145  1  0.461067  0.356248  0.427745  1
  Ni  Ni146  1  0.576145  0.948663  0.382359  1
  Ni  Ni147  1  0.162948  0.436216  0.429631  1
  Ni  Ni148  1  0.283424  0.026898  0.383593  1
  Ni  Ni149  1  0.493883  0.222367  0.409918  1
  Ni  Ni150  1  0.602832  0.814937  0.365190  1
  Ni  Ni151  1  0.481806  0.558028  0.374186  1
  Ni  Ni152  1  0.373616  0.971740  0.419861  1
  Ni  Ni153  1  0.404763  0.284065  0.373567  1
  Ni  Ni154  1  0.275588  0.688029  0.420743  1
  Ni  Ni155  1  0.836694  0.516392  0.424742  1
  Ni  Ni156  1  0.964078  0.106278  0.379162  1
  Ni  Ni157  1  0.816639  0.141366  0.414783  1
  Ni  Ni158  1  0.919193  0.735580  0.369209  1
  Ni  Ni159  1  0.939304  0.247827  0.394552  1
  Ni  Ni160  1  0.810446  0.657766  0.440347  1
  Ni  Ni161  1  0.942489  0.595080  0.353395  1
  Ni  Ni162  1  0.841664  1.000216  0.399786  1
  Ni  Ni163  1  0.061992  0.197197  0.431467  1
  Ni  Ni164  1  0.165220  0.792368  0.385949  1
  Ni  Ni165  1  0.655742  0.440052  0.488581  1
  Ni  Ni166  1  0.772311  0.032459  0.442826  1
  Ni  Ni167  1  0.597803  0.150634  0.449062  1
  Ni  Ni168  1  0.477722  0.557803  0.495358  1
  Ni  Ni169  1  0.833742  0.322336  0.481823  1
  Ni  Ni170  1  0.713871  0.729270  0.528180  1
  Ni  Ni171  1  0.096129  0.934517  0.523091  1
  Ni  Ni172  1  0.209919  0.525961  0.476786  1
  Ni  Ni173  1  0.101477  0.354172  0.500421  1
  Ni  Ni174  1  0.215552  0.945351  0.454181  1
  Ni  Ni175  1  0.412470  0.142904  0.484110  1
  Ni  Ni176  1  0.291342  0.551316  0.530471  1
  Ni  Ni177  1  0.020365  0.328685  0.446713  1
  Ni  Ni178  1  0.899109  0.737087  0.493122  1
  Ni  Ni179  1  0.372208  0.274395  0.499564  1
  Ni  Ni180  1  0.483600  0.866968  0.454193  1
  Ni  Ni181  1  0.550755  0.328986  0.470664  1
  Ni  Ni182  1  0.430642  0.736422  0.516883  1
  Ni  Ni183  1  0.880976  0.143516  0.460363  1
  Ni  Ni184  1  0.760684  0.551111  0.506521  1
  Ni  Ni185  1  0.968441  0.116967  0.503316  1
  Ni  Ni186  1  0.074819  0.710000  0.457861  1
  Ni  Ni187  1  0.236757  0.169946  0.519329  1
  Ni  Ni188  1  0.343104  0.763066  0.473928  1
  Ni  Ni189  1  0.936578  0.251458  0.521069  1
  Ni  Ni190  1  0.047274  0.843289  0.475302  1
  Ni  Ni191  1  0.264467  0.036586  0.501939  1
  Ni  Ni192  1  0.374767  0.628679  0.456136  1
  Ni  Ni193  1  0.260064  0.376431  0.465384  1
  Ni  Ni194  1  0.141016  0.784957  0.511224  1
  Ni  Ni195  1  0.170556  0.095031  0.466050  1
  Ni  Ni196  1  0.051351  0.503610  0.511821  1
  Ni  Ni197  1  0.614356  0.330656  0.516303  1
  Ni  Ni198  1  0.729055  0.923294  0.470793  1
  Ni  Ni199  1  0.582674  0.956625  0.506467  1
  Ni  Ni200  1  0.697051  0.549447  0.460876  1
  Ni  Ni201  1  0.704214  0.064415  0.485972  1
  Ni  Ni202  1  0.586829  0.472173  0.532149  1
  Ni  Ni203  1  0.724456  0.407911  0.445015  1
  Ni  Ni204  1  0.607472  0.815560  0.491292  1
  Ni  Ni205  1  0.828101  0.012924  0.523059  1
  Ni  Ni206  1  0.939219  0.605687  0.477620  1
  Ni  Ni207  1  0.433068  0.253708  0.580242  1
  Ni  Ni208  1  0.539401  0.847446  0.534446  1
  Ni  Ni209  1  0.365383  0.966289  0.540953  1
  Ni  Ni210  1  0.255181  0.370530  0.586559  1
  Ni  Ni211  1  0.607652  0.135489  0.573386  1
  Ni  Ni212  1  0.485777  0.547079  0.619762  1
  Ni  Ni213  1  0.859829  0.752560  0.615568  1
  Ni  Ni214  1  0.988180  0.338625  0.567313  1
  Ni  Ni215  1  0.878218  0.166263  0.590788  1
  Ni  Ni216  1  0.982292  0.760662  0.545955  1
  Ni  Ni217  1  0.180573  0.956901  0.575789  1
  Ni  Ni218  1  0.068430  0.366025  0.621780  1
  Ni  Ni219  1  0.792057  0.143822  0.538538  1
  Ni  Ni220  1  0.669783  0.551505  0.584171  1
  Ni  Ni221  1  0.146178  0.087678  0.591237  1
  Ni  Ni222  1  0.249761  0.682715  0.545786  1
  Ni  Ni223  1  0.324550  0.143133  0.562285  1
  Ni  Ni224  1  0.200471  0.552595  0.608561  1
  Ni  Ni225  1  0.648688  0.958156  0.552039  1
  Ni  Ni226  1  0.538352  0.366057  0.597732  1
  Ni  Ni227  1  0.735460  0.931341  0.594900  1
  Ni  Ni228  1  0.849987  0.523930  0.549433  1
  Ni  Ni229  1  0.002661  0.986447  0.611369  1
  Ni  Ni230  1  0.111471  0.578659  0.565791  1
  Ni  Ni231  1  0.708419  0.065169  0.612037  1
  Ni  Ni232  1  0.817708  0.657579  0.567317  1
  Ni  Ni233  1  0.028233  0.852940  0.593662  1
  Ni  Ni234  1  0.149010  0.443742  0.547516  1
  Ni  Ni235  1  0.035791  0.191940  0.556429  1
  Ni  Ni236  1  0.906816  0.595858  0.603677  1
  Ni  Ni237  1  0.937968  0.908253  0.557422  1
  Ni  Ni238  1  0.829139  0.321970  0.602955  1
  Ni  Ni239  1  0.392186  0.144519  0.607971  1
  Ni  Ni240  1  0.495144  0.738546  0.562474  1
  Ni  Ni241  1  0.347681  0.773553  0.598105  1
  Ni  Ni242  1  0.474720  0.363722  0.552443  1
  Ni  Ni243  1  0.470075  0.879695  0.577498  1
  Ni  Ni244  1  0.368872  0.285103  0.623746  1
  Ni  Ni245  1  0.501026  0.222295  0.536842  1
  Ni  Ni246  1  0.372525  0.632094  0.582726  1
  Ni  Ni247  1  0.590276  0.830248  0.614802  1
  Ni  Ni248  1  0.717345  0.419748  0.569084  1
  Ni  Ni249  1  0.199970  0.071423  0.672381  1
  Ni  Ni250  1  0.305579  0.665210  0.625875  1
  Ni  Ni251  1  0.129602  0.783728  0.632390  1
  Ni  Ni252  1  0.026775  0.189220  0.677753  1
  Ni  Ni253  1  0.371579  0.953270  0.665665  1
  Ni  Ni254  1  0.267797  0.353414  0.707711  1
  Ni  Ni255  1  0.626096  0.563552  0.702147  1
  Ni  Ni256  1  0.757870  0.156956  0.661825  1
  Ni  Ni257  1  0.641874  0.979387  0.683384  1
  Ni  Ni258  1  0.750514  0.580275  0.641079  1
  Ni  Ni259  1  0.936197  0.775369  0.665867  1
  Ni  Ni260  1  0.836714  0.180259  0.710050  1
  Ni  Ni261  1  0.556918  0.961533  0.630390  1
  Ni  Ni262  1  0.455483  0.363775  0.674202  1
  Ni  Ni263  1  0.910285  0.900416  0.684475  1
  Ni  Ni264  1  0.020968  0.498819  0.637451  1
  Ni  Ni265  1  0.086152  0.961318  0.655238  1
  Ni  Ni266  1  0.981607  0.363676  0.699181  1
  Ni  Ni267  1  0.411827  0.776488  0.644369  1
  Ni  Ni268  1  0.312072  0.181730  0.690838  1
  Ni  Ni269  1  0.503034  0.744348  0.687987  1
  Ni  Ni270  1  0.631836  0.338971  0.640000  1
  Ni  Ni271  1  0.757280  0.797168  0.702290  1
  Ni  Ni272  1  0.890975  0.394343  0.657102  1
  Ni  Ni273  1  0.464745  0.881694  0.703622  1
  Ni  Ni274  1  0.598195  0.474255  0.659914  1
  Ni  Ni275  1  0.784447  0.666616  0.684689  1
  Ni  Ni276  1  0.923066  0.260007  0.638750  1
  Ni  Ni277  1  0.795047  1.012045  0.649030  1
  Ni  Ni278  1  0.683822  0.413958  0.697047  1
  Ni  Ni279  1  0.696882  0.726962  0.649276  1
  Ni  Ni280  1  0.605115  0.125215  0.695536  1
  Ni  Ni281  1  0.160994  0.962663  0.700312  1
  Ni  Ni282  1  0.263757  0.553985  0.653622  1
  Ni  Ni283  1  0.130935  0.584568  0.689452  1
  Ni  Ni284  1  0.245485  0.179202  0.644256  1
  Ni  Ni285  1  0.231952  0.697404  0.668535  1
  Ni  Ni286  1  0.119365  0.106558  0.713789  1
  Ni  Ni287  1  0.266021  0.039618  0.628801  1
  Ni  Ni288  1  0.152470  0.444274  0.673995  1
  Ni  Ni289  1  0.350515  0.644336  0.705441  1
  Ni  Ni290  1  0.491103  0.234462  0.661409  1
