# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90379714
_cell_length_b   16.03681599
_cell_length_c   49.41070408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.16941619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6971.65386444
_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  0.973802  0.208787  0.295944  1
  Zr  Zr2  1  0.748249  0.715691  0.344273  1
  Zr  Zr3  1  0.845766  0.460037  0.340227  1
  Zr  Zr4  1  0.629013  0.975982  0.393368  1
  Zr  Zr5  1  0.392855  0.528409  0.302310  1
  Zr  Zr6  1  0.180118  0.037494  0.354936  1
  Zr  Zr7  1  0.434038  0.137688  0.328492  1
  Zr  Zr8  1  0.212000  0.649725  0.383906  1
  Zr  Zr9  1  0.550392  0.305484  0.294265  1
  Zr  Zr10  1  0.328325  0.819282  0.347034  1
  Zr  Zr11  1  0.271981  0.353683  0.336877  1
  Zr  Zr12  1  0.050624  0.868272  0.391686  1
  Zr  Zr13  1  0.858856  0.185269  0.358862  1
  Zr  Zr14  1  0.044546  0.666221  0.301494  1
  Zr  Zr15  1  0.551037  0.504377  0.384015  1
  Zr  Zr16  1  0.750249  0.984703  0.326775  1
  Zr  Zr17  1  0.567007  0.233977  0.402797  1
  Zr  Zr18  1  0.348088  0.751737  0.456739  1
  Zr  Zr19  1  0.429941  0.494756  0.449943  1
  Zr  Zr20  1  0.215246  0.011450  0.504367  1
  Zr  Zr21  1  0.971721  0.562630  0.411510  1
  Zr  Zr22  1  0.763477  0.076626  0.466274  1
  Zr  Zr23  1  0.017932  0.167847  0.440663  1
  Zr  Zr24  1  0.806008  0.684741  0.495185  1
  Zr  Zr25  1  0.139968  0.339986  0.403262  1
  Zr  Zr26  1  0.922956  0.857455  0.458142  1
  Zr  Zr27  1  0.857564  0.388032  0.448721  1
  Zr  Zr28  1  0.641912  0.905130  0.503362  1
  Zr  Zr29  1  0.444161  0.223738  0.468858  1
  Zr  Zr30  1  0.637008  0.706038  0.411605  1
  Zr  Zr31  1  0.139545  0.540239  0.494552  1
  Zr  Zr32  1  0.336005  0.021769  0.437390  1
  Zr  Zr33  1  0.153251  0.270144  0.513436  1
  Zr  Zr34  1  0.938555  0.786837  0.567860  1
  Zr  Zr35  1  0.020409  0.529856  0.561064  1
  Zr  Zr36  1  0.801490  0.047616  0.615006  1
  Zr  Zr37  1  0.562488  0.596852  0.522618  1
  Zr  Zr38  1  0.350565  0.113746  0.577140  1
  Zr  Zr39  1  0.605020  0.204967  0.551529  1
  Zr  Zr40  1  0.396775  0.718963  0.606294  1
  Zr  Zr41  1  0.726585  0.376464  0.514441  1
  Zr  Zr42  1  0.510932  0.893561  0.569082  1
  Zr  Zr43  1  0.445540  0.424139  0.559661  1
  Zr  Zr44  1  0.228529  0.941608  0.614542  1
  Zr  Zr45  1  0.032492  0.259824  0.580413  1
  Zr  Zr46  1  0.228952  0.741354  0.523251  1
  Zr  Zr47  1  0.731488  0.575555  0.606198  1
  Zr  Zr48  1  0.924336  0.057855  0.548945  1
  Zr  Zr49  1  0.739483  0.305611  0.624435  1
  Zr  Zr50  1  0.522731  0.821556  0.677576  1
  Zr  Zr51  1  0.620248  0.565903  0.673530  1
  Zr  Zr52  1  0.394694  0.072807  0.721859  1
  Zr  Zr53  1  0.156497  0.631869  0.633898  1
  Zr  Zr54  1  0.934459  0.143905  0.689311  1
  Zr  Zr55  1  0.188378  0.244099  0.662867  1
  Zr  Zr56  1  0.975642  0.753184  0.715493  1
  Zr  Zr57  1  0.317873  0.413322  0.626117  1
  Zr  Zr58  1  0.096515  0.927910  0.680926  1
  Zr  Zr59  1  0.040172  0.462311  0.670769  1
  Zr  Zr60  1  0.818105  0.976109  0.723538  1
  Zr  Zr61  1  0.618248  0.296891  0.691028  1
  Zr  Zr62  1  0.817460  0.777216  0.633789  1
  Zr  Zr63  1  0.323951  0.615373  0.716309  1
  Zr  Zr64  1  0.509640  0.096324  0.658941  1
  Ni  Ni65  1  0.706537  0.347105  0.371010  1
  Ni  Ni66  1  0.879675  0.825421  0.310554  1
  Ni  Ni67  1  0.555260  0.260305  0.346516  1
  Ni  Ni68  1  0.734080  0.723795  0.290051  1
  Ni  Ni69  1  0.859081  0.433320  0.395577  1
  Ni  Ni70  1  0.042592  0.910926  0.336795  1
  Ni  Ni71  1  0.634956  0.106323  0.364686  1
  Ni  Ni72  1  0.830131  0.582446  0.308831  1
  Ni  Ni73  1  0.765171  0.586011  0.375196  1
  Ni  Ni74  1  0.977354  0.064946  0.320339  1
  Ni  Ni75  1  0.325177  0.231283  0.372595  1
  Ni  Ni76  1  0.491434  0.705217  0.312756  1
  Ni  Ni77  1  0.091060  0.465262  0.368926  1
  Ni  Ni78  1  0.275213  0.941260  0.311402  1
  Ni  Ni79  1  0.140148  0.202837  0.337044  1
  Ni  Ni80  1  0.911789  0.719181  0.389447  1
  Ni  Ni81  1  0.261212  0.249355  0.293961  1
  Ni  Ni82  1  0.046937  0.759339  0.347358  1
  Ni  Ni83  1  0.543957  0.415387  0.334923  1
  Ni  Ni84  1  0.326292  0.931525  0.389131  1
  Ni  Ni85  1  0.320075  0.515182  0.352831  1
  Ni  Ni86  1  0.497018  1.000680  0.298784  1
  Ni  Ni87  1  0.100788  0.174997  0.388883  1
  Ni  Ni88  1  0.269947  0.655847  0.331977  1
  Ni  Ni89  1  0.112717  0.502637  0.317801  1
  Ni  Ni90  1  0.898066  0.015010  0.371171  1
  Ni  Ni91  1  0.714645  0.155609  0.314389  1
  Ni  Ni92  1  0.485836  0.672901  0.366445  1
  Ni  Ni93  1  0.224212  0.091797  0.299784  1
  Ni  Ni94  1  0.007916  0.605350  0.351178  1
  Ni  Ni95  1  0.589706  0.568455  0.333285  1
  Ni  Ni96  1  0.381410  0.087617  0.386987  1
  Ni  Ni97  1  0.025668  0.358411  0.308643  1
  Ni  Ni98  1  0.810086  0.864227  0.361303  1
  Ni  Ni99  1  0.784635  0.311874  0.322670  1
  Ni  Ni100  1  0.566639  0.827815  0.374916  1
  Ni  Ni101  1  0.419395  0.372936  0.381339  1
  Ni  Ni102  1  0.590916  0.850288  0.320238  1
  Ni  Ni103  1  0.991648  0.320443  0.359441  1
  Ni  Ni104  1  0.178640  0.797044  0.304279  1
  Ni  Ni105  1  0.692575  0.453879  0.295654  1
  Ni  Ni106  1  0.473209  0.972352  0.348157  1
  Ni  Ni107  1  0.291555  0.382337  0.481496  1
  Ni  Ni108  1  0.488046  0.863852  0.424912  1
  Ni  Ni109  1  0.139978  0.295449  0.456908  1
  Ni  Ni110  1  0.335025  0.776561  0.400796  1
  Ni  Ni111  1  0.444150  0.469171  0.506060  1
  Ni  Ni112  1  0.640355  0.949973  0.449674  1
  Ni  Ni113  1  0.221237  0.143948  0.476863  1
  Ni  Ni114  1  0.421239  0.625091  0.420146  1
  Ni  Ni115  1  0.356153  0.621173  0.486404  1
  Ni  Ni116  1  0.558951  0.101132  0.430085  1
  Ni  Ni117  1  0.910243  0.265999  0.483680  1
  Ni  Ni118  1  0.101031  0.745806  0.426655  1
  Ni  Ni119  1  0.675908  0.500355  0.479822  1
  Ni  Ni120  1  0.872687  0.978831  0.423432  1
  Ni  Ni121  1  0.723495  0.237109  0.447417  1
  Ni  Ni122  1  0.506085  0.754101  0.501374  1
  Ni  Ni123  1  0.869846  0.276898  0.406341  1
  Ni  Ni124  1  0.650438  0.795327  0.460580  1
  Ni  Ni125  1  0.127772  0.450710  0.445764  1
  Ni  Ni126  1  0.913422  0.968048  0.500770  1
  Ni  Ni127  1  0.903986  0.551111  0.463687  1
  Ni  Ni128  1  0.095627  0.032186  0.406977  1
  Ni  Ni129  1  0.684478  0.212489  0.499595  1
  Ni  Ni130  1  0.873185  0.695424  0.442643  1
  Ni  Ni131  1  0.697084  0.535902  0.428315  1
  Ni  Ni132  1  0.484393  0.052196  0.482629  1
  Ni  Ni133  1  0.297132  0.193385  0.423892  1
  Ni  Ni134  1  0.081570  0.710177  0.478480  1
  Ni  Ni135  1  0.813621  0.121335  0.408460  1
  Ni  Ni136  1  0.603390  0.641271  0.462820  1
  Ni  Ni137  1  0.175010  0.605277  0.443737  1
  Ni  Ni138  1  0.965995  0.123135  0.498606  1
  Ni  Ni139  1  0.623883  0.381703  0.420095  1
  Ni  Ni140  1  0.406051  0.900010  0.474257  1
  Ni  Ni141  1  0.373816  0.346396  0.432210  1
  Ni  Ni142  1  0.157871  0.863586  0.486869  1
  Ni  Ni143  1  0.006583  0.408564  0.492295  1
  Ni  Ni144  1  0.201521  0.889202  0.435456  1
  Ni  Ni145  1  0.577113  0.356552  0.470899  1
  Ni  Ni146  1  0.772491  0.837633  0.414145  1
  Ni  Ni147  1  0.273663  0.492416  0.405469  1
  Ni  Ni148  1  0.059414  0.008281  0.459773  1
  Ni  Ni149  1  0.880451  0.417741  0.592891  1
  Ni  Ni150  1  0.076942  0.899256  0.536307  1
  Ni  Ni151  1  0.728142  0.331621  0.568129  1
  Ni  Ni152  1  0.924347  0.812423  0.511743  1
  Ni  Ni153  1  0.033472  0.505033  0.617007  1
  Ni  Ni154  1  0.228519  0.986145  0.560895  1
  Ni  Ni155  1  0.809545  0.180461  0.587719  1
  Ni  Ni156  1  0.012344  0.660421  0.531399  1
  Ni  Ni157  1  0.947258  0.656503  0.597657  1
  Ni  Ni158  1  0.147260  0.137645  0.540941  1
  Ni  Ni159  1  0.495810  0.302762  0.594371  1
  Ni  Ni160  1  0.692589  0.781238  0.537982  1
  Ni  Ni161  1  0.267465  0.535787  0.591149  1
  Ni  Ni162  1  0.458254  0.015594  0.534123  1
  Ni  Ni163  1  0.309083  0.273313  0.558030  1
  Ni  Ni164  1  0.094834  0.789178  0.612334  1
  Ni  Ni165  1  0.455075  0.313546  0.517033  1
  Ni  Ni166  1  0.240725  0.830884  0.572040  1
  Ni  Ni167  1  0.718058  0.486267  0.557224  1
  Ni  Ni168  1  0.498651  0.004695  0.611463  1
  Ni  Ni169  1  0.495312  0.586170  0.575161  1
  Ni  Ni170  1  0.684019  0.069104  0.518208  1
  Ni  Ni171  1  0.272870  0.249407  0.610826  1
  Ni  Ni172  1  0.464510  0.730482  0.554116  1
  Ni  Ni173  1  0.286927  0.571416  0.539324  1
  Ni  Ni174  1  0.071365  0.088208  0.593912  1
  Ni  Ni175  1  0.884103  0.229397  0.535174  1
  Ni  Ni176  1  0.671413  0.745691  0.589488  1
  Ni  Ni177  1  0.402502  0.158458  0.519197  1
  Ni  Ni178  1  0.193487  0.676316  0.574066  1
  Ni  Ni179  1  0.765107  0.640323  0.554983  1
  Ni  Ni180  1  0.554875  0.160259  0.609344  1
  Ni  Ni181  1  0.210625  0.418008  0.530934  1
  Ni  Ni182  1  -0.005319  0.935197  0.585593  1
  Ni  Ni183  1  0.962445  0.381583  0.543546  1
  Ni  Ni184  1  0.744613  0.899890  0.597708  1
  Ni  Ni185  1  0.596005  0.443960  0.603658  1
  Ni  Ni186  1  0.791384  0.925041  0.546904  1
  Ni  Ni187  1  0.166976  0.392392  0.582348  1
  Ni  Ni188  1  0.361914  0.873029  0.525509  1
  Ni  Ni189  1  0.862412  0.527492  0.516430  1
  Ni  Ni190  1  0.645001  0.044484  0.570386  1
  Ni  Ni191  1  0.488821  0.456172  0.707249  1
  Ni  Ni192  1  0.661960  0.934489  0.646793  1
  Ni  Ni193  1  0.325905  0.370667  0.681008  1
  Ni  Ni194  1  0.509416  0.848274  0.622226  1
  Ni  Ni195  1  0.634417  0.557799  0.727752  1
  Ni  Ni196  1  0.813236  0.021289  0.671287  1
  Ni  Ni197  1  0.391143  0.216647  0.697464  1
  Ni  Ni198  1  0.603326  0.695583  0.642607  1
  Ni  Ni199  1  0.538366  0.699147  0.708972  1
  Ni  Ni200  1  0.733540  0.175270  0.653117  1
  Ni  Ni201  1  0.093284  0.340333  0.706401  1
  Ni  Ni202  1  0.277437  0.816332  0.648877  1
  Ni  Ni203  1  0.877063  0.576376  0.705048  1
  Ni  Ni204  1  0.043320  0.050310  0.645209  1
  Ni  Ni205  1  0.895287  0.309242  0.669646  1
  Ni  Ni206  1  0.675922  0.827714  0.722149  1
  Ni  Ni207  1  0.042205  0.350068  0.628672  1
  Ni  Ni208  1  0.824539  0.866206  0.682880  1
  Ni  Ni209  1  0.321560  0.522254  0.670445  1
  Ni  Ni210  1  0.107285  0.032238  0.723842  1
  Ni  Ni211  1  0.098550  0.625746  0.685826  1
  Ni  Ni212  1  0.267709  0.106596  0.628920  1
  Ni  Ni213  1  0.871479  0.280913  0.719019  1
  Ni  Ni214  1  0.048422  0.766412  0.664972  1
  Ni  Ni215  1  0.882661  0.608692  0.651358  1
  Ni  Ni216  1  0.653851  0.125984  0.703414  1
  Ni  Ni217  1  0.470431  0.266583  0.646633  1
  Ni  Ni218  1  0.255780  0.778956  0.700003  1
  Ni  Ni219  1  0.987086  0.193977  0.630816  1
  Ni  Ni220  1  0.778791  0.713138  0.684518  1
  Ni  Ni221  1  0.360581  0.676243  0.666625  1
  Ni  Ni222  1  0.144284  0.189797  0.718019  1
  Ni  Ni223  1  0.801858  0.453778  0.642887  1
  Ni  Ni224  1  0.583861  0.969719  0.695134  1
  Ni  Ni225  1  0.558411  0.417366  0.656500  1
  Ni  Ni226  1  0.342829  0.923183  0.709160  1
  Ni  Ni227  1  0.189856  0.484549  0.713524  1
  Ni  Ni228  1  0.376849  0.961151  0.658362  1
  Ni  Ni229  1  0.777581  0.431305  0.697565  1
  Ni  Ni230  1  0.949102  0.908658  0.636464  1
  Ni  Ni231  1  0.456708  0.562413  0.628356  1
  Ni  Ni232  1  0.228349  0.078756  0.680760  1
