# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69283697
_cell_length_b   17.74726820
_cell_length_c   53.62822602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.70998503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8259.81077738
_cell_formula_units_Z   9
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  0.730935  0.419937  0.401327  1
  Zr  Zr2  1  0.379078  0.710676  0.330346  1
  Zr  Zr3  1  0.036431  0.021878  0.296794  1
  Zr  Zr4  1  0.456782  0.228831  0.430119  1
  Zr  Zr5  1  0.116135  0.546762  0.396691  1
  Zr  Zr6  1  0.764379  0.833796  0.322841  1
  Zr  Zr7  1  0.010166  0.403422  0.335747  1
  Zr  Zr8  1  0.706279  0.765314  0.401685  1
  Zr  Zr9  1  0.369688  0.077106  0.370006  1
  Zr  Zr10  1  0.115337  0.181150  0.354324  1
  Zr  Zr11  1  0.707436  0.504213  0.315157  1
  Zr  Zr12  1  0.450310  0.863498  0.388383  1
  Zr  Zr13  1  0.682757  0.228893  0.356975  1
  Zr  Zr14  1  0.328682  0.531105  0.322615  1
  Zr  Zr15  1  0.024156  0.909806  0.390850  1
  Zr  Zr16  1  0.457783  0.347233  0.332713  1
  Zr  Zr17  1  0.146359  0.718137  0.401408  1
  Zr  Zr18  1  0.796397  0.030773  0.366877  1
  Zr  Zr19  1  0.942381  0.290783  0.426389  1
  Zr  Zr20  1  0.605856  0.604022  0.392008  1
  Zr  Zr21  1  0.260565  0.898867  0.318553  1
  Zr  Zr22  1  0.243767  0.356569  0.405243  1
  Zr  Zr23  1  0.889455  0.648319  0.331542  1
  Zr  Zr24  1  0.564859  0.974290  0.298431  1
  Zr  Zr25  1  0.770826  0.490905  0.543867  1
  Zr  Zr26  1  0.410844  0.782873  0.470097  1
  Zr  Zr27  1  0.065339  0.101546  0.434598  1
  Zr  Zr28  1  0.498117  0.299103  0.572240  1
  Zr  Zr29  1  0.152316  0.618028  0.537387  1
  Zr  Zr30  1  0.792278  0.910110  0.463535  1
  Zr  Zr31  1  0.073889  0.467334  0.478314  1
  Zr  Zr32  1  0.747176  0.837113  0.544432  1
  Zr  Zr33  1  0.407922  0.148878  0.512534  1
  Zr  Zr34  1  0.155947  0.251621  0.494657  1
  Zr  Zr35  1  0.816851  0.563982  0.463191  1
  Zr  Zr36  1  0.489219  0.933315  0.529022  1
  Zr  Zr37  1  0.725114  0.299641  0.498771  1
  Zr  Zr38  1  0.380887  0.612091  0.464842  1
  Zr  Zr39  1  0.061708  0.981040  0.532699  1
  Zr  Zr40  1  0.501581  0.419780  0.474714  1
  Zr  Zr41  1  0.182543  0.788908  0.542685  1
  Zr  Zr42  1  0.838223  0.100885  0.508283  1
  Zr  Zr43  1  0.982518  0.361023  0.568356  1
  Zr  Zr44  1  0.642292  0.677157  0.534649  1
  Zr  Zr45  1  0.279790  0.973522  0.460311  1
  Zr  Zr46  1  0.283241  0.427230  0.547012  1
  Zr  Zr47  1  0.920969  0.723971  0.472910  1
  Zr  Zr48  1  0.580544  0.040136  0.438869  1
  Zr  Zr49  1  0.800241  0.565343  0.684942  1
  Zr  Zr50  1  0.448181  0.854294  0.610844  1
  Zr  Zr51  1  0.106456  0.171717  0.577047  1
  Zr  Zr52  1  0.526792  0.381027  0.710511  1
  Zr  Zr53  1  0.184208  0.689542  0.677193  1
  Zr  Zr54  1  0.833271  0.981461  0.606198  1
  Zr  Zr55  1  0.113320  0.537083  0.618976  1
  Zr  Zr56  1  0.856166  0.895639  0.692404  1
  Zr  Zr57  1  0.462449  0.220343  0.653676  1
  Zr  Zr58  1  0.199781  0.322174  0.636664  1
  Zr  Zr59  1  0.857252  0.635576  0.605872  1
  Zr  Zr60  1  0.555766  -0.001489  0.671562  1
  Zr  Zr61  1  0.765439  0.368564  0.640295  1
  Zr  Zr62  1  0.416782  0.682632  0.606120  1
  Zr  Zr63  1  0.108503  0.055663  0.674583  1
  Zr  Zr64  1  0.540067  0.491186  0.616544  1
  Zr  Zr65  1  0.235207  0.870369  0.684792  1
  Zr  Zr66  1  0.877684  0.172714  0.650300  1
  Zr  Zr67  1  0.993388  0.411266  0.707569  1
  Zr  Zr68  1  0.674430  0.752336  0.675935  1
  Zr  Zr69  1  0.321832  0.044423  0.602232  1
  Zr  Zr70  1  0.301348  0.500844  0.688823  1
  Zr  Zr71  1  0.958667  0.796998  0.615568  1
  Zr  Zr72  1  0.620768  0.110041  0.580668  1
  Ni  Ni73  1  0.750512  0.089111  0.291344  1
  Ni  Ni74  1  0.417981  0.481437  0.399938  1
  Ni  Ni75  1  0.072480  0.774171  0.325077  1
  Ni  Ni76  1  0.889876  0.163712  0.390313  1
  Ni  Ni77  1  0.546815  0.478386  0.357472  1
  Ni  Ni78  1  0.222491  0.768196  0.287114  1
  Ni  Ni79  1  0.294198  0.482573  0.441247  1
  Ni  Ni80  1  0.936142  0.778678  0.366934  1
  Ni  Ni81  1  0.598665  0.094154  0.332863  1
  Ni  Ni82  1  0.161892  0.208082  0.400292  1
  Ni  Ni83  1  0.815716  0.520825  0.363268  1
  Ni  Ni84  1  0.495144  0.814463  0.295805  1
  Ni  Ni85  1  0.019927  0.440581  0.430891  1
  Ni  Ni86  1  0.667343  0.731675  0.355626  1
  Ni  Ni87  1  0.320893  0.054100  0.321942  1
  Ni  Ni88  1  0.745393  0.377668  0.353955  1
  Ni  Ni89  1  0.429571  0.636410  0.290483  1
  Ni  Ni90  1  0.090019  0.059165  0.388734  1
  Ni  Ni91  1  0.390196  0.195368  0.331517  1
  Ni  Ni92  1  0.096049  0.586546  0.442527  1
  Ni  Ni93  1  0.735966  0.884910  0.367621  1
  Ni  Ni94  1  0.727991  0.352147  0.309451  1
  Ni  Ni95  1  0.416155  0.713168  0.378471  1
  Ni  Ni96  1  0.073735  0.033977  0.343080  1
  Ni  Ni97  1  0.870150  0.127604  0.329077  1
  Ni  Ni98  1  0.571131  0.517755  0.435859  1
  Ni  Ni99  1  0.213870  0.812042  0.362310  1
  Ni  Ni100  1  0.270858  0.444674  0.361830  1
  Ni  Ni101  1  0.925138  0.735184  0.288837  1
  Ni  Ni102  1  0.612187  0.131027  0.395209  1
  Ni  Ni103  1  0.212453  0.311676  0.360369  1
  Ni  Ni104  1  0.019576  0.525623  0.304040  1
  Ni  Ni105  1  0.562938  0.990412  0.394048  1
  Ni  Ni106  1  0.919451  0.265275  0.328210  1
  Ni  Ni107  1  0.627756  0.654011  0.439005  1
  Ni  Ni108  1  0.260817  0.950613  0.363307  1
  Ni  Ni109  1  0.192637  0.288868  0.315132  1
  Ni  Ni110  1  0.889427  0.645830  0.379682  1
  Ni  Ni111  1  0.534654  0.966600  0.345904  1
  Ni  Ni112  1  0.939673  0.294530  0.376094  1
  Ni  Ni113  1  0.586850  0.608026  0.342299  1
  Ni  Ni114  1  0.285880  0.975752  0.411000  1
  Ni  Ni115  1  0.122836  0.157834  0.308437  1
  Ni  Ni116  1  0.843860  0.546469  0.415565  1
  Ni  Ni117  1  0.490424  0.835876  0.343637  1
  Ni  Ni118  1  1.004097  0.423495  0.382298  1
  Ni  Ni119  1  0.654325  0.698692  0.307362  1
  Ni  Ni120  1  0.340090  0.105907  0.416307  1
  Ni  Ni121  1  0.507300  0.376341  0.429204  1
  Ni  Ni122  1  0.142541  0.674133  0.355451  1
  Ni  Ni123  1  0.810072  0.984969  0.322788  1
  Ni  Ni124  1  0.678229  0.271110  0.402718  1
  Ni  Ni125  1  0.343699  0.582747  0.368375  1
  Ni  Ni126  1  0.991436  0.873838  0.294110  1
  Ni  Ni127  1  0.494156  0.355986  0.379959  1
  Ni  Ni128  1  0.147594  0.647085  0.306360  1
  Ni  Ni129  1  0.831385  0.039248  0.414011  1
  Ni  Ni130  1  0.655678  0.216480  0.309559  1
  Ni  Ni131  1  0.353545  0.612118  0.417838  1
  Ni  Ni132  1  1.001895  0.900784  0.342712  1
  Ni  Ni133  1  0.409049  0.226450  0.379006  1
  Ni  Ni134  1  0.074859  0.545473  0.348608  1
  Ni  Ni135  1  0.754664  0.908367  0.414531  1
  Ni  Ni136  1  0.760560  0.165357  0.432885  1
  Ni  Ni137  1  0.458653  0.552611  0.541489  1
  Ni  Ni138  1  0.104461  0.848252  0.465954  1
  Ni  Ni139  1  0.931241  0.233533  0.531106  1
  Ni  Ni140  1  0.591104  0.550274  0.498525  1
  Ni  Ni141  1  0.230277  0.847735  0.424909  1
  Ni  Ni142  1  0.333194  0.553154  0.582537  1
  Ni  Ni143  1  0.972286  0.850524  0.508940  1
  Ni  Ni144  1  0.632367  0.166946  0.475777  1
  Ni  Ni145  1  0.202006  0.276201  0.541926  1
  Ni  Ni146  1  0.861124  0.592845  0.509625  1
  Ni  Ni147  1  0.504576  0.889560  0.435140  1
  Ni  Ni148  1  0.059011  0.511459  0.572213  1
  Ni  Ni149  1  0.702068  0.808250  0.497938  1
  Ni  Ni150  1  0.361112  0.124398  0.465122  1
  Ni  Ni151  1  0.792567  0.446349  0.497866  1
  Ni  Ni152  1  0.429182  0.744139  0.423950  1
  Ni  Ni153  1  0.130054  0.129515  0.530893  1
  Ni  Ni154  1  0.433340  0.270964  0.476163  1
  Ni  Ni155  1  0.134267  0.656824  0.583596  1
  Ni  Ni156  1  0.770645  0.954316  0.509561  1
  Ni  Ni157  1  0.769798  0.421378  0.450878  1
  Ni  Ni158  1  0.451054  0.784569  0.518648  1
  Ni  Ni159  1  0.109318  0.104053  0.484434  1
  Ni  Ni160  1  0.909088  0.199944  0.470221  1
  Ni  Ni161  1  0.610118  0.589282  0.578016  1
  Ni  Ni162  1  0.248199  0.883579  0.504039  1
  Ni  Ni163  1  0.314927  0.517172  0.503348  1
  Ni  Ni164  1  0.953316  0.811640  0.429430  1
  Ni  Ni165  1  0.654350  0.200624  0.536847  1
  Ni  Ni166  1  0.265182  0.378456  0.502215  1
  Ni  Ni167  1  0.895659  0.674818  0.425989  1
  Ni  Ni168  1  0.604945  0.060480  0.535895  1
  Ni  Ni169  1  0.959094  0.339906  0.471275  1
  Ni  Ni170  1  0.667873  0.726177  0.581600  1
  Ni  Ni171  1  0.297893  0.022267  0.505082  1
  Ni  Ni172  1  0.237093  0.354518  0.454621  1
  Ni  Ni173  1  0.924051  0.719646  0.521677  1
  Ni  Ni174  1  0.576021  0.037681  0.488428  1
  Ni  Ni175  1  0.987393  0.362978  0.518777  1
  Ni  Ni176  1  0.639214  0.681362  0.485893  1
  Ni  Ni177  1  0.326633  0.046245  0.552696  1
  Ni  Ni178  1  0.181282  0.224261  0.448690  1
  Ni  Ni179  1  0.882220  0.619329  0.558360  1
  Ni  Ni180  1  0.518911  0.908064  0.483489  1
  Ni  Ni181  1  0.044180  0.492793  0.523793  1
  Ni  Ni182  1  0.681036  0.781690  0.449196  1
  Ni  Ni183  1  0.381541  0.176560  0.558634  1
  Ni  Ni184  1  0.546729  0.447057  0.571272  1
  Ni  Ni185  1  0.179039  0.745993  0.496901  1
  Ni  Ni186  1  0.844577  0.059290  0.462875  1
  Ni  Ni187  1  0.719550  0.341517  0.544083  1
  Ni  Ni188  1  0.384317  0.654749  0.510616  1
  Ni  Ni189  1  0.016484  0.953785  0.436142  1
  Ni  Ni190  1  0.534331  0.427326  0.522236  1
  Ni  Ni191  1  0.173544  0.718148  0.448106  1
  Ni  Ni192  1  0.873170  0.109297  0.555508  1
  Ni  Ni193  1  0.690811  0.291090  0.451570  1
  Ni  Ni194  1  0.389581  0.682697  0.559392  1
  Ni  Ni195  1  0.028683  0.973561  0.485157  1
  Ni  Ni196  1  0.454106  0.296527  0.522548  1
  Ni  Ni197  1  0.112061  0.616184  0.488835  1
  Ni  Ni198  1  0.794043  0.979494  0.556602  1
  Ni  Ni199  1  0.805441  0.235362  0.573768  1
  Ni  Ni200  1  0.492100  0.627073  0.682298  1
  Ni  Ni201  1  0.146711  0.919940  0.607684  1
  Ni  Ni202  1  0.972628  0.304329  0.671423  1
  Ni  Ni203  1  0.627192  0.622060  0.640530  1
  Ni  Ni204  1  0.269662  0.918323  0.566226  1
  Ni  Ni205  1  0.339177  0.632515  0.720006  1
  Ni  Ni206  1  0.018245  0.923202  0.650213  1
  Ni  Ni207  1  0.673884  0.236299  0.615440  1
  Ni  Ni208  1  0.246087  0.346459  0.684627  1
  Ni  Ni209  1  0.895481  0.668646  0.651933  1
  Ni  Ni210  1  0.543990  0.959964  0.576458  1
  Ni  Ni211  1  0.067533  0.582342  0.711565  1
  Ni  Ni212  1  0.749236  0.880280  0.644230  1
  Ni  Ni213  1  0.400565  0.193463  0.607370  1
  Ni  Ni214  1  0.826883  0.515187  0.640010  1
  Ni  Ni215  1  0.467722  0.814324  0.564974  1
  Ni  Ni216  1  0.181478  0.205729  0.675316  1
  Ni  Ni217  1  0.475149  0.341616  0.618115  1
  Ni  Ni218  1  0.133126  0.765071  0.716745  1
  Ni  Ni219  1  0.820421  0.023710  0.653505  1
  Ni  Ni220  1  0.809662  0.492628  0.592928  1
  Ni  Ni221  1  0.489798  0.855912  0.658882  1
  Ni  Ni222  1  0.152602  0.174848  0.628359  1
  Ni  Ni223  1  0.952063  0.269751  0.612001  1
  Ni  Ni224  1  0.637716  0.666809  0.718611  1
  Ni  Ni225  1  0.294336  0.957404  0.645728  1
  Ni  Ni226  1  0.349050  0.588397  0.645256  1
  Ni  Ni227  1  0.993096  0.883357  0.571770  1
  Ni  Ni228  1  0.709495  0.277211  0.683472  1
  Ni  Ni229  1  0.305210  0.449050  0.644104  1
  Ni  Ni230  1  0.935847  0.747048  0.568586  1
  Ni  Ni231  1  0.650377  0.137275  0.680501  1
  Ni  Ni232  1  1.000704  0.409588  0.613517  1
  Ni  Ni233  1  0.544110  0.875743  0.703343  1
  Ni  Ni234  1  0.351005  0.092021  0.647158  1
  Ni  Ni235  1  0.277944  0.425041  0.596296  1
  Ni  Ni236  1  0.977679  0.792653  0.665209  1
  Ni  Ni237  1  0.624346  0.106133  0.631338  1
  Ni  Ni238  1  0.031111  0.434039  0.661152  1
  Ni  Ni239  1  0.674437  0.755060  0.627865  1
  Ni  Ni240  1  0.375303  0.112463  0.692467  1
  Ni  Ni241  1  0.222859  0.295104  0.590260  1
  Ni  Ni242  1  0.910094  0.700565  0.700103  1
  Ni  Ni243  1  0.560697  0.977108  0.625065  1
  Ni  Ni244  1  0.072422  0.564497  0.663683  1
  Ni  Ni245  1  0.720563  0.854615  0.592066  1
  Ni  Ni246  1  0.440889  0.243958  0.699106  1
  Ni  Ni247  1  0.569153  0.528448  0.713480  1
  Ni  Ni248  1  0.220500  0.818528  0.639149  1
  Ni  Ni249  1  0.885369  0.129650  0.604408  1
  Ni  Ni250  1  0.754218  0.417789  0.683589  1
  Ni  Ni251  1  0.420915  0.727043  0.651992  1
  Ni  Ni252  1  0.057380  0.024647  0.578277  1
  Ni  Ni253  1  0.560002  0.500343  0.664833  1
  Ni  Ni254  1  0.210692  0.789011  0.589722  1
  Ni  Ni255  1  0.923229  0.182634  0.697817  1
  Ni  Ni256  1  0.732283  0.361532  0.592939  1
  Ni  Ni257  1  0.415510  0.754491  0.700909  1
  Ni  Ni258  1  0.070290  0.045430  0.627431  1
  Ni  Ni259  1  0.494722  0.365674  0.664393  1
  Ni  Ni260  1  0.146892  0.687189  0.629217  1
  Ni  Ni261  1  0.840362  0.047612  0.697969  1
