# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.24319625
_cell_length_b   12.74960400
_cell_length_c   47.84153438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.50817624
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   9294.59793583
_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  0.240607  0.299777  0.327668  1
  Zr  Zr2  1  0.774957  0.504029  0.366000  1
  Zr  Zr3  1  0.785880  0.713462  0.316032  1
  Zr  Zr4  1  0.275597  0.938879  0.353752  1
  Zr  Zr5  1  0.001125  0.897149  0.379535  1
  Zr  Zr6  1  0.464689  0.701023  0.336385  1
  Zr  Zr7  1  0.038004  0.536615  0.340128  1
  Zr  Zr8  1  0.512701  0.344200  0.305884  1
  Zr  Zr9  1  0.027939  0.122640  0.335676  1
  Zr  Zr10  1  0.566253  0.323557  0.377026  1
  Zr  Zr11  1  0.944569  0.895598  0.309373  1
  Zr  Zr12  1  0.480740  0.115953  0.345674  1
  Zr  Zr13  1  0.785809  0.307281  0.318912  1
  Zr  Zr14  1  0.324226  0.508971  0.359426  1
  Zr  Zr15  1  0.176049  0.734599  0.322233  1
  Zr  Zr16  1  0.720090  0.929955  0.367772  1
  Zr  Zr17  1  0.309676  0.691055  0.409889  1
  Zr  Zr18  1  0.846076  0.888457  0.452786  1
  Zr  Zr19  1  0.811266  0.137515  0.396887  1
  Zr  Zr20  1  0.349477  0.330061  0.438497  1
  Zr  Zr21  1  0.073286  0.284143  0.461671  1
  Zr  Zr22  1  0.535045  0.091145  0.419172  1
  Zr  Zr23  1  0.125252  0.931574  0.429467  1
  Zr  Zr24  1  0.587029  0.737778  0.386105  1
  Zr  Zr25  1  0.104880  0.516395  0.419134  1
  Zr  Zr26  1  0.639281  0.713995  0.460317  1
  Zr  Zr27  1  0.020253  0.305621  0.387338  1
  Zr  Zr28  1  0.556522  0.504320  0.429888  1
  Zr  Zr29  1  0.865369  0.703613  0.401657  1
  Zr  Zr30  1  0.400372  0.899018  0.439991  1
  Zr  Zr31  1  0.259520  0.122298  0.407155  1
  Zr  Zr32  1  0.796095  0.320134  0.448303  1
  Zr  Zr33  1  0.383572  0.080994  0.493967  1
  Zr  Zr34  1  0.920036  0.278037  0.535816  1
  Zr  Zr35  1  0.887318  0.524803  0.480074  1
  Zr  Zr36  1  0.423660  0.721906  0.521951  1
  Zr  Zr37  1  0.147650  0.674075  0.545241  1
  Zr  Zr38  1  0.610008  0.480922  0.503162  1
  Zr  Zr39  1  0.197301  0.322021  0.512744  1
  Zr  Zr40  1  0.659713  0.128661  0.470658  1
  Zr  Zr41  1  0.178729  0.908197  0.502254  1
  Zr  Zr42  1  0.713163  0.104471  0.543975  1
  Zr  Zr43  1  0.094309  0.698365  0.471878  1
  Zr  Zr44  1  0.628675  0.894551  0.513701  1
  Zr  Zr45  1  0.937654  0.093903  0.484124  1
  Zr  Zr46  1  0.473851  0.288981  0.525316  1
  Zr  Zr47  1  0.333425  0.514002  0.490545  1
  Zr  Zr48  1  0.869740  0.708952  0.531792  1
  Zr  Zr49  1  0.457793  0.472745  0.577457  1
  Zr  Zr50  1  0.996367  0.665277  0.619055  1
  Zr  Zr51  1  0.961334  0.914362  0.563188  1
  Zr  Zr52  1  0.497461  0.111963  0.605835  1
  Zr  Zr53  1  0.220148  0.065864  0.629780  1
  Zr  Zr54  1  0.682264  0.871258  0.586436  1
  Zr  Zr55  1  0.272206  0.712199  0.596909  1
  Zr  Zr56  1  0.734055  0.518726  0.554256  1
  Zr  Zr57  1  0.250846  0.298467  0.586035  1
  Zr  Zr58  1  0.787430  0.496964  0.628566  1
  Zr  Zr59  1  0.168055  0.088702  0.555659  1
  Zr  Zr60  1  0.702639  0.286636  0.596678  1
  Zr  Zr61  1  0.011236  0.482730  0.567579  1
  Zr  Zr62  1  0.548039  0.680469  0.608803  1
  Zr  Zr63  1  0.406725  0.903938  0.575751  1
  Zr  Zr64  1  0.941526  0.098987  0.614341  1
  Zr  Zr65  1  0.531925  0.863505  0.661390  1
  Zr  Zr66  1  0.021710  0.088917  0.699818  1
  Zr  Zr67  1  0.032434  0.298580  0.649901  1
  Zr  Zr68  1  0.566163  0.503884  0.688205  1
  Zr  Zr69  1  0.294272  0.456815  0.710039  1
  Zr  Zr70  1  0.769778  0.267142  0.675712  1
  Zr  Zr71  1  0.344368  0.098344  0.679745  1
  Zr  Zr72  1  0.805660  0.905110  0.636775  1
  Zr  Zr73  1  0.326837  0.686953  0.670477  1
  Zr  Zr74  1  0.861829  0.906934  0.706570  1
  Zr  Zr75  1  0.241065  0.479248  0.638931  1
  Zr  Zr76  1  0.779116  0.681221  0.680087  1
  Zr  Zr77  1  0.087392  0.872847  0.648203  1
  Zr  Zr78  1  0.632013  0.073716  0.692067  1
  Zr  Zr79  1  0.482897  0.293485  0.656596  1
  Zr  Zr80  1  0.021339  0.495357  0.697002  1
  Ni  Ni81  1  0.753552  0.117645  0.339599  1
  Ni  Ni82  1  0.215265  0.931385  0.297690  1
  Ni  Ni83  1  0.157806  0.422135  0.370463  1
  Ni  Ni84  1  0.623189  0.222776  0.329695  1
  Ni  Ni85  1  0.883065  0.015113  0.352210  1
  Ni  Ni86  1  0.341959  0.821302  0.310718  1
  Ni  Ni87  1  0.198296  0.510210  0.323414  1
  Ni  Ni88  1  0.738713  0.714463  0.366589  1
  Ni  Ni89  1  0.861731  0.510797  0.312182  1
  Ni  Ni90  1  0.306817  0.729871  0.357233  1
  Ni  Ni91  1  0.075470  0.328454  0.333965  1
  Ni  Ni92  1  0.602709  0.528525  0.377626  1
  Ni  Ni93  1  0.955906  0.677290  0.302737  1
  Ni  Ni94  1  0.454240  0.907110  0.341201  1
  Ni  Ni95  1  0.918825  0.397604  0.348396  1
  Ni  Ni96  1  0.376963  0.216824  0.305236  1
  Ni  Ni97  1  0.876103  0.106864  0.306374  1
  Ni  Ni98  1  0.412671  0.316288  0.348282  1
  Ni  Ni99  1  0.102794  0.926224  0.333336  1
  Ni  Ni100  1  0.637051  0.120825  0.374801  1
  Ni  Ni101  1  0.021238  0.754404  0.342324  1
  Ni  Ni102  1  0.555429  0.947687  0.377278  1
  Ni  Ni103  1  0.946709  0.288932  0.307658  1
  Ni  Ni104  1  0.488468  0.492354  0.342636  1
  Ni  Ni105  1  0.865325  0.822116  0.352565  1
  Ni  Ni106  1  0.325321  0.624227  0.312367  1
  Ni  Ni107  1  0.176454  0.617378  0.371353  1
  Ni  Ni108  1  0.645805  0.420256  0.334939  1
  Ni  Ni109  1  0.898504  0.632885  0.351278  1
  Ni  Ni110  1  0.357602  0.430513  0.308817  1
  Ni  Ni111  1  0.157190  0.812865  0.375394  1
  Ni  Ni112  1  0.631992  0.619967  0.335533  1
  Ni  Ni113  1  0.774028  0.935176  0.316287  1
  Ni  Ni114  1  0.318290  0.147421  0.354924  1
  Ni  Ni115  1  0.194068  0.097016  0.326913  1
  Ni  Ni116  1  0.730495  0.290349  0.368300  1
  Ni  Ni117  1  0.158396  0.212367  0.369297  1
  Ni  Ni118  1  0.618349  0.013685  0.328518  1
  Ni  Ni119  1  0.887477  0.216190  0.353422  1
  Ni  Ni120  1  0.348311  0.029661  0.312631  1
  Ni  Ni121  1  0.134867  0.026549  0.376992  1
  Ni  Ni122  1  0.626578  0.816578  0.333165  1
  Ni  Ni123  1  0.830947  0.511258  0.423724  1
  Ni  Ni124  1  0.290289  0.317378  0.382119  1
  Ni  Ni125  1  0.237466  0.809424  0.454611  1
  Ni  Ni126  1  0.699973  0.615599  0.412532  1
  Ni  Ni127  1  0.960661  0.406075  0.435336  1
  Ni  Ni128  1  0.421596  0.212819  0.393826  1
  Ni  Ni129  1  0.272918  0.899051  0.406148  1
  Ni  Ni130  1  0.811597  0.098551  0.449374  1
  Ni  Ni131  1  0.849494  0.928080  0.401054  1
  Ni  Ni132  1  0.386329  0.121226  0.441730  1
  Ni  Ni133  1  0.143339  0.720576  0.418923  1
  Ni  Ni134  1  0.675616  0.918259  0.461710  1
  Ni  Ni135  1  0.980168  0.102198  0.387619  1
  Ni  Ni136  1  0.517258  0.299856  0.429378  1
  Ni  Ni137  1  0.991094  0.800004  0.430345  1
  Ni  Ni138  1  0.452884  0.606747  0.386605  1
  Ni  Ni139  1  0.950833  0.508233  0.389468  1
  Ni  Ni140  1  0.484868  0.707032  0.430755  1
  Ni  Ni141  1  0.173872  0.315615  0.416849  1
  Ni  Ni142  1  0.711828  0.511912  0.458303  1
  Ni  Ni143  1  0.094866  0.142387  0.420774  1
  Ni  Ni144  1  0.631365  0.339758  0.462972  1
  Ni  Ni145  1  0.028159  0.676963  0.386943  1
  Ni  Ni146  1  0.566480  0.879902  0.426027  1
  Ni  Ni147  1  0.939908  0.209236  0.432548  1
  Ni  Ni148  1  0.401858  0.013375  0.388659  1
  Ni  Ni149  1  0.258044  0.008028  0.457968  1
  Ni  Ni150  1  0.721483  0.813088  0.417202  1
  Ni  Ni151  1  0.965727  0.013974  0.432013  1
  Ni  Ni152  1  0.425639  0.817709  0.386724  1
  Ni  Ni153  1  0.231988  0.203839  0.459506  1
  Ni  Ni154  1  0.695482  0.012483  0.418898  1
  Ni  Ni155  1  0.855591  0.342061  0.395731  1
  Ni  Ni156  1  0.392953  0.537486  0.437714  1
  Ni  Ni157  1  0.265155  0.484610  0.410913  1
  Ni  Ni158  1  0.803860  0.679516  0.452863  1
  Ni  Ni159  1  0.233601  0.602197  0.453465  1
  Ni  Ni160  1  0.697261  0.410102  0.410330  1
  Ni  Ni161  1  0.965832  0.612389  0.437442  1
  Ni  Ni162  1  0.426113  0.420541  0.395735  1
  Ni  Ni163  1  0.207762  0.415638  0.461202  1
  Ni  Ni164  1  0.669152  0.224782  0.418977  1
  Ni  Ni165  1  0.903707  0.901412  0.507981  1
  Ni  Ni166  1  0.367392  0.706845  0.465806  1
  Ni  Ni167  1  0.310426  0.199412  0.538784  1
  Ni  Ni168  1  0.772719  0.005878  0.496735  1
  Ni  Ni169  1  0.034714  0.796943  0.519211  1
  Ni  Ni170  1  0.496777  0.603525  0.477126  1
  Ni  Ni171  1  0.347252  0.290790  0.490791  1
  Ni  Ni172  1  0.884263  0.487045  0.532597  1
  Ni  Ni173  1  0.923066  0.315785  0.483286  1
  Ni  Ni174  1  0.460007  0.512122  0.525121  1
  Ni  Ni175  1  0.215500  0.112559  0.503215  1
  Ni  Ni176  1  0.751867  0.310041  0.544696  1
  Ni  Ni177  1  0.055525  0.492834  0.471179  1
  Ni  Ni178  1  0.591759  0.690298  0.512727  1
  Ni  Ni179  1  0.063221  0.191128  0.513319  1
  Ni  Ni180  1  0.524485  0.996885  0.470451  1
  Ni  Ni181  1  0.022594  0.900968  0.473864  1
  Ni  Ni182  1  0.557775  0.095415  0.515109  1
  Ni  Ni183  1  0.249614  0.707481  0.500777  1
  Ni  Ni184  1  0.784838  0.901870  0.542105  1
  Ni  Ni185  1  0.169201  0.534074  0.504622  1
  Ni  Ni186  1  0.705383  0.729329  0.546504  1
  Ni  Ni187  1  0.101971  0.073387  0.469451  1
  Ni  Ni188  1  0.638116  0.268782  0.511303  1
  Ni  Ni189  1  0.013501  0.598957  0.516265  1
  Ni  Ni190  1  0.475839  0.404869  0.474362  1
  Ni  Ni191  1  0.331454  0.398091  0.541547  1
  Ni  Ni192  1  0.793848  0.203921  0.499614  1
  Ni  Ni193  1  0.038634  0.403097  0.514977  1
  Ni  Ni194  1  0.501027  0.208362  0.472866  1
  Ni  Ni195  1  0.306304  0.594571  0.543081  1
  Ni  Ni196  1  0.768693  0.399776  0.500909  1
  Ni  Ni197  1  0.929955  0.732089  0.479646  1
  Ni  Ni198  1  0.465539  0.926342  0.522463  1
  Ni  Ni199  1  0.341867  0.876571  0.493360  1
  Ni  Ni200  1  0.877463  0.070696  0.536283  1
  Ni  Ni201  1  0.307111  0.991360  0.537267  1
  Ni  Ni202  1  0.768400  0.798286  0.495081  1
  Ni  Ni203  1  0.038995  0.004521  0.520876  1
  Ni  Ni204  1  0.500177  0.811472  0.478608  1
  Ni  Ni205  1  0.282630  0.805940  0.545531  1
  Ni  Ni206  1  0.744169  0.611676  0.502603  1
  Ni  Ni207  1  0.976238  0.291546  0.592171  1
  Ni  Ni208  1  0.439857  0.096105  0.550032  1
  Ni  Ni209  1  0.385424  0.589860  0.622131  1
  Ni  Ni210  1  0.846770  0.396742  0.580550  1
  Ni  Ni211  1  0.107049  0.187353  0.603354  1
  Ni  Ni212  1  0.569867  0.993472  0.561212  1
  Ni  Ni213  1  0.420907  0.681708  0.574273  1
  Ni  Ni214  1  0.957546  0.874772  0.614932  1
  Ni  Ni215  1  0.995745  0.704298  0.566558  1
  Ni  Ni216  1  0.534178  0.903875  0.609564  1
  Ni  Ni217  1  0.290051  0.503073  0.586564  1
  Ni  Ni218  1  0.827716  0.700353  0.628246  1
  Ni  Ni219  1  0.131812  0.884618  0.554302  1
  Ni  Ni220  1  0.664076  0.082564  0.596823  1
  Ni  Ni221  1  0.138361  0.578221  0.596971  1
  Ni  Ni222  1  0.599481  0.387345  0.554697  1
  Ni  Ni223  1  0.095486  0.290927  0.557592  1
  Ni  Ni224  1  0.633392  0.487175  0.599034  1
  Ni  Ni225  1  0.322425  0.095907  0.585146  1
  Ni  Ni226  1  0.856491  0.294336  0.626431  1
  Ni  Ni227  1  0.240747  0.922750  0.590239  1
  Ni  Ni228  1  0.778381  0.125554  0.629323  1
  Ni  Ni229  1  0.175962  0.463027  0.552968  1
  Ni  Ni230  1  0.712588  0.660497  0.595273  1
  Ni  Ni231  1  0.085613  0.989821  0.598806  1
  Ni  Ni232  1  0.549237  0.794844  0.557975  1
  Ni  Ni233  1  0.405379  0.789254  0.627285  1
  Ni  Ni234  1  0.867501  0.593639  0.583343  1
  Ni  Ni235  1  0.111681  0.790337  0.597062  1
  Ni  Ni236  1  0.575210  0.599005  0.556418  1
  Ni  Ni237  1  0.381503  0.984617  0.629037  1
  Ni  Ni238  1  0.841617  0.788990  0.583973  1
  Ni  Ni239  1  0.003466  0.123350  0.563061  1
  Ni  Ni240  1  0.542326  0.317833  0.605124  1
  Ni  Ni241  1  0.414445  0.265573  0.578112  1
  Ni  Ni242  1  0.951869  0.460766  0.620178  1
  Ni  Ni243  1  0.381072  0.381788  0.620193  1
  Ni  Ni244  1  0.841474  0.190229  0.578473  1
  Ni  Ni245  1  0.109994  0.392903  0.605531  1
  Ni  Ni246  1  0.573777  0.200850  0.562351  1
  Ni  Ni247  1  0.354631  0.195211  0.629567  1
  Ni  Ni248  1  0.816200  0.002619  0.585729  1
  Ni  Ni249  1  0.054129  0.684778  0.676385  1
  Ni  Ni250  1  0.516671  0.485215  0.633778  1
  Ni  Ni251  1  0.474822  0.977655  0.704459  1
  Ni  Ni252  1  0.924971  0.787413  0.663680  1
  Ni  Ni253  1  0.184444  0.579543  0.686284  1
  Ni  Ni254  1  0.649458  0.381383  0.645375  1
  Ni  Ni255  1  0.500588  0.072371  0.658219  1
  Ni  Ni256  1  0.945891  0.291784  0.703726  1
  Ni  Ni257  1  0.068685  0.088315  0.649344  1
  Ni  Ni258  1  0.609066  0.294306  0.692379  1
  Ni  Ni259  1  0.356819  0.894609  0.674879  1
  Ni  Ni260  1  0.851118  0.125538  0.713140  1
  Ni  Ni261  1  0.204551  0.274799  0.638172  1
  Ni  Ni262  1  0.731450  0.474662  0.681905  1
  Ni  Ni263  1  0.181147  0.985818  0.682700  1
  Ni  Ni264  1  0.673011  0.776830  0.639098  1
  Ni  Ni265  1  0.170674  0.682269  0.641216  1
  Ni  Ni266  1  0.698415  0.878776  0.683878  1
  Ni  Ni267  1  0.394183  0.486052  0.667677  1
  Ni  Ni268  1  0.931047  0.696021  0.709502  1
  Ni  Ni269  1  0.318734  0.308838  0.673384  1
  Ni  Ni270  1  0.860169  0.514424  0.708093  1
  Ni  Ni271  1  0.252325  0.856477  0.639417  1
  Ni  Ni272  1  0.786356  0.047406  0.673758  1
  Ni  Ni273  1  0.161436  0.382021  0.680969  1
  Ni  Ni274  1  0.630238  0.186762  0.644017  1
  Ni  Ni275  1  0.482607  0.177315  0.703425  1
  Ni  Ni276  1  0.942173  0.980477  0.663396  1
  Ni  Ni277  1  0.176854  0.182216  0.680264  1
  Ni  Ni278  1  0.650002  0.989907  0.640335  1
  Ni  Ni279  1  0.449786  0.371968  0.707149  1
  Ni  Ni280  1  0.908874  0.169728  0.664671  1
  Ni  Ni281  1  0.077010  0.512366  0.647648  1
  Ni  Ni282  1  0.613445  0.704631  0.688392  1
  Ni  Ni283  1  0.488691  0.655039  0.660784  1
  Ni  Ni284  1  0.032968  0.867304  0.699737  1
  Ni  Ni285  1  0.461518  0.771045  0.702334  1
  Ni  Ni286  1  0.919902  0.586712  0.662488  1
  Ni  Ni287  1  0.188670  0.788592  0.687689  1
  Ni  Ni288  1  0.648964  0.590644  0.646469  1
  Ni  Ni289  1  0.429759  0.585574  0.710729  1
  Ni  Ni290  1  0.888784  0.405228  0.667509  1
