# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55843126
_cell_length_b   26.08807835
_cell_length_c   47.64843267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.74257341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8148.72742364
_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  0.062202  0.950594  0.363829  1
  Zr  Zr2  1  0.823954  0.581387  0.404935  1
  Zr  Zr3  1  0.313201  0.325009  0.321524  1
  Zr  Zr4  1  0.679341  0.835333  0.313959  1
  Zr  Zr5  1  0.439784  0.463672  0.352595  1
  Zr  Zr6  1  0.167137  0.082595  0.409517  1
  Zr  Zr7  1  0.572025  0.723856  0.379821  1
  Zr  Zr8  1  0.313550  0.351968  0.418730  1
  Zr  Zr9  1  0.811103  0.097380  0.335449  1
  Zr  Zr10  1  0.185922  0.068554  0.298398  1
  Zr  Zr11  1  0.925321  0.690077  0.336416  1
  Zr  Zr12  1  0.683797  0.311447  0.395405  1
  Zr  Zr13  1  0.738527  0.846800  0.402974  1
  Zr  Zr14  1  0.251378  0.600415  0.305117  1
  Zr  Zr15  1  0.993750  0.219679  0.360508  1
  Zr  Zr16  1  0.246861  0.816581  0.412129  1
  Zr  Zr17  1  0.748738  0.570128  0.312947  1
  Zr  Zr18  1  0.493321  0.189037  0.369729  1
  Zr  Zr19  1  0.557394  0.982811  0.352946  1
  Zr  Zr20  1  0.318961  0.613931  0.394578  1
  Zr  Zr21  1  0.821899  0.353274  0.309213  1
  Zr  Zr22  1  0.173516  0.802008  0.320462  1
  Zr  Zr23  1  0.935582  0.433927  0.362413  1
  Zr  Zr24  1  0.672754  0.050574  0.420133  1
  Zr  Zr25  1  0.314921  0.828382  0.505777  1
  Zr  Zr26  1  0.070978  0.458745  0.546776  1
  Zr  Zr27  1  0.560540  0.200638  0.462357  1
  Zr  Zr28  1  0.925688  0.713131  0.452638  1
  Zr  Zr29  1  0.682422  0.340486  0.494352  1
  Zr  Zr30  1  0.418201  0.960095  0.552000  1
  Zr  Zr31  1  0.823710  0.601141  0.521296  1
  Zr  Zr32  1  0.559539  0.230530  0.561179  1
  Zr  Zr33  1  0.067160  0.971662  0.478723  1
  Zr  Zr34  1  0.416462  0.939638  0.436400  1
  Zr  Zr35  1  0.173386  0.569612  0.478209  1
  Zr  Zr36  1  0.929574  0.189262  0.538282  1
  Zr  Zr37  1  0.991166  0.724379  0.545840  1
  Zr  Zr38  1  0.500403  0.476624  0.445074  1
  Zr  Zr39  1  0.243929  0.095439  0.502836  1
  Zr  Zr40  1  0.498147  0.694225  0.555281  1
  Zr  Zr41  1  0.998870  0.445997  0.453582  1
  Zr  Zr42  1  0.743182  0.065022  0.511753  1
  Zr  Zr43  1  0.810476  0.861314  0.495016  1
  Zr  Zr44  1  0.567226  0.491107  0.536110  1
  Zr  Zr45  1  0.066325  0.229006  0.451694  1
  Zr  Zr46  1  0.428920  0.679803  0.463327  1
  Zr  Zr47  1  0.176430  0.312091  0.504894  1
  Zr  Zr48  1  0.922531  0.928242  0.563107  1
  Zr  Zr49  1  0.566076  0.706123  0.649192  1
  Zr  Zr50  1  0.315696  0.335401  0.685471  1
  Zr  Zr51  1  0.810274  0.078081  0.604364  1
  Zr  Zr52  1  0.175127  0.590316  0.594454  1
  Zr  Zr53  1  0.931241  0.218159  0.636543  1
  Zr  Zr54  1  0.680093  0.835028  0.690189  1
  Zr  Zr55  1  0.072794  0.479144  0.662393  1
  Zr  Zr56  1  0.784989  0.102536  0.698141  1
  Zr  Zr57  1  0.315294  0.850665  0.621587  1
  Zr  Zr58  1  0.666515  0.817779  0.579149  1
  Zr  Zr59  1  0.424323  0.446207  0.619421  1
  Zr  Zr60  1  0.181351  0.061718  0.680293  1
  Zr  Zr61  1  0.251235  0.598503  0.686105  1
  Zr  Zr62  1  0.748093  0.353507  0.587433  1
  Zr  Zr63  1  0.490577  0.972111  0.645987  1
  Zr  Zr64  1  0.751392  0.568351  0.694314  1
  Zr  Zr65  1  0.248181  0.323032  0.596078  1
  Zr  Zr66  1  0.995292  0.941456  0.655211  1
  Zr  Zr67  1  0.060109  0.738678  0.637510  1
  Zr  Zr68  1  0.821380  0.367667  0.678571  1
  Zr  Zr69  1  0.315943  0.106688  0.594320  1
  Zr  Zr70  1  0.679357  0.557182  0.604913  1
  Zr  Zr71  1  0.425105  0.189691  0.647620  1
  Zr  Zr72  1  0.178153  0.805065  0.704197  1
  Ni  Ni73  1  0.362154  0.892571  0.332938  1
  Ni  Ni74  1  0.131488  0.523271  0.376989  1
  Ni  Ni75  1  0.610351  0.272220  0.291478  1
  Ni  Ni76  1  0.401382  0.902012  0.384898  1
  Ni  Ni77  1  0.928520  0.649770  0.285737  1
  Ni  Ni78  1  0.658240  0.275160  0.342321  1
  Ni  Ni79  1  0.582282  0.761325  0.429676  1
  Ni  Ni80  1  0.090056  0.514145  0.326592  1
  Ni  Ni81  1  0.826145  0.131844  0.385691  1
  Ni  Ni82  1  0.341024  -0.000093  0.396110  1
  Ni  Ni83  1  0.840721  0.745361  0.296391  1
  Ni  Ni84  1  0.615281  0.369069  0.352339  1
  Ni  Ni85  1  0.654322  0.663929  0.420230  1
  Ni  Ni86  1  0.144039  0.420371  0.317230  1
  Ni  Ni87  1  0.885907  0.034510  0.375974  1
  Ni  Ni88  1  0.069313  0.904819  0.413180  1
  Ni  Ni89  1  0.584581  0.661680  0.310489  1
  Ni  Ni90  1  0.324020  0.283132  0.369895  1
  Ni  Ni91  1  0.921687  0.758123  0.403081  1
  Ni  Ni92  1  0.429922  0.503303  0.303583  1
  Ni  Ni93  1  0.160144  0.128277  0.359593  1
  Ni  Ni94  1  0.904573  0.000645  0.322028  1
  Ni  Ni95  1  0.661536  0.626757  0.360866  1
  Ni  Ni96  1  0.405419  0.245175  0.417250  1
  Ni  Ni97  1  0.260536  0.971807  0.310538  1
  Ni  Ni98  1  0.028838  0.598827  0.351716  1
  Ni  Ni99  1  0.770027  0.215615  0.409862  1
  Ni  Ni100  1  0.463932  0.818128  0.361618  1
  Ni  Ni101  1  0.227480  0.448232  0.404981  1
  Ni  Ni102  1  0.709703  0.192717  0.318839  1
  Ni  Ni103  1  0.190841  0.747801  0.366139  1
  Ni  Ni104  1  0.950075  0.380307  0.406795  1
  Ni  Ni105  1  0.426572  0.126427  0.324847  1
  Ni  Ni106  1  0.544227  0.036522  0.309049  1
  Ni  Ni107  1  0.315978  0.665487  0.347256  1
  Ni  Ni108  1  0.047147  0.283710  0.407659  1
  Ni  Ni109  1  0.258751  0.712053  0.415744  1
  Ni  Ni110  1  0.778874  0.463020  0.315245  1
  Ni  Ni111  1  0.502175  0.083115  0.372112  1
  Ni  Ni112  1  0.728305  0.951504  0.400109  1
  Ni  Ni113  1  0.228089  0.705074  0.301120  1
  Ni  Ni114  1  0.981145  0.325053  0.358052  1
  Ni  Ni115  1  0.216979  0.041621  0.347902  1
  Ni  Ni116  1  0.973964  0.671104  0.389452  1
  Ni  Ni117  1  0.498276  0.406764  0.304599  1
  Ni  Ni118  1  0.516459  0.745342  0.328514  1
  Ni  Ni119  1  0.268750  0.379075  0.368555  1
  Ni  Ni120  1  0.014601  0.992628  0.425683  1
  Ni  Ni121  1  0.991824  0.899918  0.317279  1
  Ni  Ni122  1  0.763650  0.524737  0.358931  1
  Ni  Ni123  1  0.498446  0.142164  0.417580  1
  Ni  Ni124  1  0.729202  0.893313  0.354821  1
  Ni  Ni125  1  0.495264  0.522664  0.397041  1
  Ni  Ni126  1  0.982460  0.262540  0.312035  1
  Ni  Ni127  1  0.082834  0.852118  0.365041  1
  Ni  Ni128  1  0.846759  0.482735  0.407885  1
  Ni  Ni129  1  0.345025  0.225754  0.323458  1
  Ni  Ni130  1  0.640549  0.937217  0.306258  1
  Ni  Ni131  1  0.409114  0.563258  0.347345  1
  Ni  Ni132  1  0.147800  0.181306  0.405983  1
  Ni  Ni133  1  0.835652  0.787008  0.353550  1
  Ni  Ni134  1  0.592298  0.418200  0.397896  1
  Ni  Ni135  1  0.078600  0.164687  0.312681  1
  Ni  Ni136  1  0.619877  0.770565  0.479385  1
  Ni  Ni137  1  0.377150  0.400252  0.519585  1
  Ni  Ni138  1  0.864697  0.140731  0.436527  1
  Ni  Ni139  1  0.657863  0.779718  0.529125  1
  Ni  Ni140  1  0.165587  0.532504  0.427950  1
  Ni  Ni141  1  0.907780  0.150007  0.487043  1
  Ni  Ni142  1  0.832188  0.638956  0.572065  1
  Ni  Ni143  1  0.334817  0.391366  0.469394  1
  Ni  Ni144  1  0.076793  0.009026  0.528596  1
  Ni  Ni145  1  0.589743  0.877246  0.538302  1
  Ni  Ni146  1  0.093836  0.629940  0.437953  1
  Ni  Ni147  1  0.854662  0.245359  0.495551  1
  Ni  Ni148  1  0.901659  0.541444  0.561595  1
  Ni  Ni149  1  0.388379  0.295806  0.461333  1
  Ni  Ni150  1  0.143738  0.911524  0.519606  1
  Ni  Ni151  1  0.320235  0.783181  0.555381  1
  Ni  Ni152  1  0.827722  0.536489  0.454191  1
  Ni  Ni153  1  0.570693  0.160466  0.512279  1
  Ni  Ni154  1  0.169378  0.635494  0.545361  1
  Ni  Ni155  1  0.673373  0.380814  0.444557  1
  Ni  Ni156  1  0.414038  0.005454  0.502254  1
  Ni  Ni157  1  0.156627  0.874703  0.462684  1
  Ni  Ni158  1  0.910277  0.503996  0.503171  1
  Ni  Ni159  1  0.654432  0.122503  0.559130  1
  Ni  Ni160  1  0.519261  0.846358  0.453133  1
  Ni  Ni161  1  0.276344  0.476236  0.494081  1
  Ni  Ni162  1  0.018445  0.093566  0.551659  1
  Ni  Ni163  1  0.719646  0.694536  0.505232  1
  Ni  Ni164  1  0.472781  0.325726  0.547063  1
  Ni  Ni165  1  0.965053  0.065167  0.462494  1
  Ni  Ni166  1  0.437406  0.626675  0.509826  1
  Ni  Ni167  1  0.195195  0.257959  0.549022  1
  Ni  Ni168  1  0.682516  0.997083  0.466922  1
  Ni  Ni169  1  0.801600  0.914014  0.448391  1
  Ni  Ni170  1  0.558001  0.544970  0.489822  1
  Ni  Ni171  1  0.296280  0.160961  0.550033  1
  Ni  Ni172  1  0.509714  0.589422  0.557680  1
  Ni  Ni173  1  0.016712  0.339550  0.455266  1
  Ni  Ni174  1  0.753370  0.959908  0.515462  1
  Ni  Ni175  1  0.979741  0.829537  0.542526  1
  Ni  Ni176  1  0.487979  0.581765  0.441863  1
  Ni  Ni177  1  0.226099  0.201659  0.501568  1
  Ni  Ni178  1  0.468795  0.918589  0.489553  1
  Ni  Ni179  1  0.223194  0.548609  0.531030  1
  Ni  Ni180  1  0.732204  0.285432  0.445488  1
  Ni  Ni181  1  0.772634  0.622755  0.468418  1
  Ni  Ni182  1  0.510588  0.255932  0.511207  1
  Ni  Ni183  1  0.265441  0.870346  0.568404  1
  Ni  Ni184  1  0.252913  0.772016  0.460481  1
  Ni  Ni185  1  0.008423  0.402056  0.501242  1
  Ni  Ni186  1  0.747640  0.019869  0.560029  1
  Ni  Ni187  1  0.986610  0.769404  0.497891  1
  Ni  Ni188  1  0.743165  0.398971  0.539017  1
  Ni  Ni189  1  0.233535  0.139116  0.455164  1
  Ni  Ni190  1  0.338749  0.728842  0.509392  1
  Ni  Ni191  1  0.093462  0.359929  0.550372  1
  Ni  Ni192  1  0.586997  0.100327  0.466576  1
  Ni  Ni193  1  0.900506  0.812571  0.449010  1
  Ni  Ni194  1  0.655435  0.440715  0.490044  1
  Ni  Ni195  1  0.397239  0.058962  0.548399  1
  Ni  Ni196  1  0.083857  0.666223  0.495848  1
  Ni  Ni197  1  0.836464  0.296346  0.539693  1
  Ni  Ni198  1  0.329581  0.037534  0.452917  1
  Ni  Ni199  1  0.870163  0.647665  0.622847  1
  Ni  Ni200  1  0.629894  0.277388  0.665804  1
  Ni  Ni201  1  0.113676  0.019039  0.578802  1
  Ni  Ni202  1  0.911493  0.655705  0.673210  1
  Ni  Ni203  1  0.412748  0.409908  0.569814  1
  Ni  Ni204  1  0.157818  0.026859  0.629204  1
  Ni  Ni205  1  0.071878  0.518867  0.713524  1
  Ni  Ni206  1  0.587489  0.268363  0.613579  1
  Ni  Ni207  1  0.330883  0.885279  0.675093  1
  Ni  Ni208  1  0.865856  0.749044  0.683841  1
  Ni  Ni209  1  0.344652  0.507413  0.579337  1
  Ni  Ni210  1  0.105629  0.121311  0.639388  1
  Ni  Ni211  1  0.154365  0.424017  0.702802  1
  Ni  Ni212  1  0.637077  0.173799  0.602795  1
  Ni  Ni213  1  0.381903  0.789471  0.661278  1
  Ni  Ni214  1  0.570633  0.659259  0.696697  1
  Ni  Ni215  1  0.073713  0.413113  0.596268  1
  Ni  Ni216  1  0.822278  0.037669  0.654200  1
  Ni  Ni217  1  0.414657  0.507934  0.688490  1
  Ni  Ni218  1  0.919681  0.258370  0.586674  1
  Ni  Ni219  1  0.663202  0.883588  0.644797  1
  Ni  Ni220  1  0.406129  0.752737  0.605054  1
  Ni  Ni221  1  0.158155  0.381677  0.645301  1
  Ni  Ni222  1  0.900063  0.999398  0.701271  1
  Ni  Ni223  1  0.769853  0.723838  0.596025  1
  Ni  Ni224  1  0.529769  0.351723  0.637255  1
  Ni  Ni225  1  0.268908  0.967881  0.697396  1
  Ni  Ni226  1  0.971378  0.571407  0.647510  1
  Ni  Ni227  1  0.723934  0.200544  0.690580  1
  Ni  Ni228  1  0.213869  0.943261  0.604509  1
  Ni  Ni229  1  0.682660  0.504599  0.651830  1
  Ni  Ni230  1  0.438143  0.134393  0.689927  1
  Ni  Ni231  1  0.932110  0.874504  0.609581  1
  Ni  Ni232  1  0.052877  0.791835  0.590607  1
  Ni  Ni233  1  0.804345  0.422088  0.633035  1
  Ni  Ni234  1  0.546362  0.032225  0.690856  1
  Ni  Ni235  1  0.769978  0.464094  0.697874  1
  Ni  Ni236  1  0.265699  0.217424  0.597567  1
  Ni  Ni237  1  0.008014  0.836249  0.658658  1
  Ni  Ni238  1  0.228583  0.705447  0.684753  1
  Ni  Ni239  1  0.737569  0.458648  0.583635  1
  Ni  Ni240  1  0.476991  0.078735  0.644482  1
  Ni  Ni241  1  0.719387  0.795690  0.632578  1
  Ni  Ni242  1  0.478809  0.424419  0.670476  1
  Ni  Ni243  1  0.982466  0.162613  0.587852  1
  Ni  Ni244  1  0.023049  0.499882  0.609593  1
  Ni  Ni245  1  0.757462  0.135051  0.651837  1
  Ni  Ni246  1  0.519798  0.749126  0.706283  1
  Ni  Ni247  1  0.504427  0.649035  0.603194  1
  Ni  Ni248  1  0.261756  0.277906  0.644201  1
  Ni  Ni249  1  0.992895  0.897585  0.703018  1
  Ni  Ni250  1  0.236859  0.646612  0.640654  1
  Ni  Ni251  1  1.000098  0.271192  0.682067  1
  Ni  Ni252  1  0.483147  0.016406  0.597554  1
  Ni  Ni253  1  0.591002  0.606145  0.651890  1
  Ni  Ni254  1  0.348652  0.234943  0.694106  1
  Ni  Ni255  1  0.836087  0.977666  0.609439  1
  Ni  Ni256  1  0.150692  0.689622  0.591778  1
  Ni  Ni257  1  0.907081  0.317217  0.633874  1
  Ni  Ni258  1  0.642391  0.935508  0.691870  1
  Ni  Ni259  1  0.336813  0.542955  0.637996  1
  Ni  Ni260  1  0.078900  0.170661  0.682412  1
  Ni  Ni261  1  0.578835  0.915371  0.595396  1
