# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53055797
_cell_length_b   25.26341278
_cell_length_c   50.27706481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.99595094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8249.41866019
_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  0.792267  0.722216  0.348679  1
  Zr  Zr2  1  0.948638  0.007665  0.296216  1
  Zr  Zr3  1  0.606595  0.431963  0.394919  1
  Zr  Zr4  1  0.526183  0.374430  0.318185  1
  Zr  Zr5  1  0.164191  0.809107  0.414294  1
  Zr  Zr6  1  0.313087  0.087711  0.362688  1
  Zr  Zr7  1  0.842887  0.514209  0.325748  1
  Zr  Zr8  1  0.482687  0.953547  0.417207  1
  Zr  Zr9  1  0.644815  0.227954  0.367650  1
  Zr  Zr10  1  0.459166  0.580587  0.344320  1
  Zr  Zr11  1  0.636202  0.859917  0.294704  1
  Zr  Zr12  1  0.277466  0.293684  0.390372  1
  Zr  Zr13  1  0.140331  0.633644  0.397966  1
  Zr  Zr14  1  0.299178  0.913217  0.346380  1
  Zr  Zr15  1  0.469573  0.205178  0.302394  1
  Zr  Zr16  1  0.655975  0.610788  0.413752  1
  Zr  Zr17  1  0.820855  0.895134  0.362159  1
  Zr  Zr18  1  0.976184  0.177718  0.314347  1
  Zr  Zr19  1  0.101525  0.461826  0.382391  1
  Zr  Zr20  1  0.282651  0.741247  0.333040  1
  Zr  Zr21  1  0.900705  0.165380  0.425176  1
  Zr  Zr22  1  0.252228  0.639353  0.291514  1
  Zr  Zr23  1  0.829458  0.063622  0.376258  1
  Zr  Zr24  1  0.019583  0.346757  0.334213  1
  Zr  Zr25  1  0.266794  0.856431  0.490441  1
  Zr  Zr26  1  0.410283  0.137845  0.438095  1
  Zr  Zr27  1  0.101800  0.572369  0.539740  1
  Zr  Zr28  1  0.000832  0.526844  0.464062  1
  Zr  Zr29  1  0.636917  0.949018  0.557716  1
  Zr  Zr30  1  0.795028  0.232172  0.506538  1
  Zr  Zr31  1  0.333493  0.669687  0.467498  1
  Zr  Zr32  1  0.954906  0.093960  0.559911  1
  Zr  Zr33  1  0.132541  0.371399  0.512174  1
  Zr  Zr34  1  0.948202  0.712215  0.487449  1
  Zr  Zr35  1  0.093432  0.993169  0.436349  1
  Zr  Zr36  1  0.763053  0.433876  0.533627  1
  Zr  Zr37  1  0.611887  0.772112  0.541489  1
  Zr  Zr38  1  0.763116  0.052893  0.489222  1
  Zr  Zr39  1  0.952874  0.345397  0.443455  1
  Zr  Zr40  1  0.136927  0.752062  0.558259  1
  Zr  Zr41  1  0.290454  0.033594  0.506224  1
  Zr  Zr42  1  0.455448  0.318423  0.458161  1
  Zr  Zr43  1  0.588013  0.601074  0.528012  1
  Zr  Zr44  1  0.746999  0.880058  0.477842  1
  Zr  Zr45  1  0.387698  0.306526  0.569413  1
  Zr  Zr46  1  0.682986  0.785568  0.427270  1
  Zr  Zr47  1  0.310666  0.204729  0.518633  1
  Zr  Zr48  1  0.509216  0.497254  0.476027  1
  Zr  Zr49  1  0.742712  0.997613  0.633532  1
  Zr  Zr50  1  0.896448  0.278290  0.582031  1
  Zr  Zr51  1  0.579010  0.716023  0.684351  1
  Zr  Zr52  1  0.486630  0.666641  0.609206  1
  Zr  Zr53  1  0.108963  0.079312  0.699054  1
  Zr  Zr54  1  0.285897  0.368944  0.648331  1
  Zr  Zr55  1  0.805299  0.811813  0.611501  1
  Zr  Zr56  1  0.428939  0.226272  0.699964  1
  Zr  Zr57  1  0.630850  0.509306  0.655368  1
  Zr  Zr58  1  0.415264  0.852528  0.633170  1
  Zr  Zr59  1  0.567853  0.134418  0.579684  1
  Zr  Zr60  1  0.251319  0.574557  0.677287  1
  Zr  Zr61  1  0.085145  0.908124  0.684151  1
  Zr  Zr62  1  0.243860  0.192660  0.633443  1
  Zr  Zr63  1  0.440542  0.486646  0.587936  1
  Zr  Zr64  1  0.599990  0.886526  0.696843  1
  Zr  Zr65  1  0.759071  0.172389  0.648703  1
  Zr  Zr66  1  0.944952  0.459184  0.602230  1
  Zr  Zr67  1  0.065622  0.738860  0.669757  1
  Zr  Zr68  1  0.222409  0.020572  0.619967  1
  Zr  Zr69  1  0.834897  0.446487  0.707648  1
  Zr  Zr70  1  0.156802  0.925310  0.570476  1
  Zr  Zr71  1  0.793966  0.346194  0.663745  1
  Zr  Zr72  1  0.995363  0.639479  0.621689  1
  Ni  Ni73  1  0.843139  0.328196  0.283740  1
  Ni  Ni74  1  0.476555  0.765835  0.380095  1
  Ni  Ni75  1  0.628570  0.045464  0.327490  1
  Ni  Ni76  1  0.465172  0.670291  0.370789  1
  Ni  Ni77  1  0.622894  0.950314  0.319254  1
  Ni  Ni78  1  0.280613  0.384644  0.417357  1
  Ni  Ni79  1  0.865233  0.422334  0.296858  1
  Ni  Ni80  1  0.494467  0.861973  0.389941  1
  Ni  Ni81  1  0.646856  0.138370  0.339499  1
  Ni  Ni82  1  0.592238  0.660645  0.319038  1
  Ni  Ni83  1  0.140929  0.079909  0.411498  1
  Ni  Ni84  1  0.339787  0.381019  0.364469  1
  Ni  Ni85  1  0.786649  0.427469  0.348505  1
  Ni  Ni86  1  0.935395  0.704591  0.302874  1
  Ni  Ni87  1  0.580103  0.143113  0.391334  1
  Ni  Ni88  1  0.806456  0.619204  0.362809  1
  Ni  Ni89  1  0.974581  0.904405  0.312647  1
  Ni  Ni90  1  0.623175  0.329506  0.411302  1
  Ni  Ni91  1  0.521837  0.475015  0.303232  1
  Ni  Ni92  1  0.138020  0.906202  0.397813  1
  Ni  Ni93  1  0.300920  0.187769  0.346567  1
  Ni  Ni94  1  0.752360  0.523774  0.378089  1
  Ni  Ni95  1  0.924253  0.807877  0.326644  1
  Ni  Ni96  1  0.552098  0.229543  0.421914  1
  Ni  Ni97  1  0.386697  0.540009  0.393457  1
  Ni  Ni98  1  0.556694  0.823556  0.342847  1
  Ni  Ni99  1  0.712201  0.110969  0.293400  1
  Ni  Ni100  1  0.403779  0.704607  0.416960  1
  Ni  Ni101  1  0.555921  0.985531  0.365123  1
  Ni  Ni102  1  0.741089  0.271799  0.320150  1
  Ni  Ni103  1  0.228639  0.538205  0.310605  1
  Ni  Ni104  1  0.837631  0.974907  0.400431  1
  Ni  Ni105  1  0.024709  0.252817  0.354582  1
  Ni  Ni106  1  0.098302  0.554393  0.358735  1
  Ni  Ni107  1  0.266765  0.835206  0.309773  1
  Ni  Ni108  1  0.901507  0.263060  0.403317  1
  Ni  Ni109  1  0.172339  0.441027  0.325101  1
  Ni  Ni110  1  0.800688  0.882764  0.419075  1
  Ni  Ni111  1  0.964726  0.156903  0.368189  1
  Ni  Ni112  1  0.137571  0.652222  0.344194  1
  Ni  Ni113  1  0.293819  0.933150  0.294145  1
  Ni  Ni114  1  0.955831  0.365273  0.389669  1
  Ni  Ni115  1  0.434155  0.480505  0.350490  1
  Ni  Ni116  1  0.599948  0.760637  0.302800  1
  Ni  Ni117  1  0.227913  0.192707  0.394801  1
  Ni  Ni118  1  0.921951  0.607490  0.315758  1
  Ni  Ni119  1  0.499124  0.046835  0.406079  1
  Ni  Ni120  1  0.688354  0.328064  0.363401  1
  Ni  Ni121  1  0.197114  0.360255  0.288909  1
  Ni  Ni122  1  0.834614  0.801382  0.379962  1
  Ni  Ni123  1  0.984168  0.081684  0.329662  1
  Ni  Ni124  1  0.118712  0.730569  0.381143  1
  Ni  Ni125  1  0.274789  0.010099  0.328103  1
  Ni  Ni126  1  0.941114  0.445185  0.429611  1
  Ni  Ni127  1  0.776561  0.700797  0.399089  1
  Ni  Ni128  1  0.935431  0.984004  0.345392  1
  Ni  Ni129  1  0.119512  0.265939  0.303622  1
  Ni  Ni130  1  0.013588  0.544770  0.412531  1
  Ni  Ni131  1  0.176334  0.825294  0.362063  1
  Ni  Ni132  1  0.329748  0.106839  0.310839  1
  Ni  Ni133  1  0.587322  0.573131  0.292496  1
  Ni  Ni134  1  0.187486  0.996667  0.380453  1
  Ni  Ni135  1  0.373852  0.288451  0.336685  1
  Ni  Ni136  1  0.304712  0.479505  0.429608  1
  Ni  Ni137  1  0.951689  0.902621  0.524361  1
  Ni  Ni138  1  0.101285  0.184828  0.472348  1
  Ni  Ni139  1  0.935665  0.805184  0.514920  1
  Ni  Ni140  1  0.086283  0.087995  0.462637  1
  Ni  Ni141  1  0.769368  0.524963  0.562103  1
  Ni  Ni142  1  0.329705  0.575197  0.440338  1
  Ni  Ni143  1  0.967385  1.000608  0.533032  1
  Ni  Ni144  1  0.128180  0.280176  0.483780  1
  Ni  Ni145  1  0.995739  0.798528  0.463171  1
  Ni  Ni146  1  0.621446  0.221162  0.554514  1
  Ni  Ni147  1  0.822889  0.521176  0.510235  1
  Ni  Ni148  1  0.279151  0.582540  0.492051  1
  Ni  Ni149  1  0.433846  0.867218  0.441653  1
  Ni  Ni150  1  0.071360  0.284560  0.535452  1
  Ni  Ni151  1  0.289069  0.758064  0.507235  1
  Ni  Ni152  1  0.439213  0.039537  0.455641  1
  Ni  Ni153  1  0.111904  0.469969  0.554650  1
  Ni  Ni154  1  0.981242  0.626046  0.447843  1
  Ni  Ni155  1  0.613292  0.047114  0.540483  1
  Ni  Ni156  1  0.785853  0.334468  0.491213  1
  Ni  Ni157  1  0.239819  0.666162  0.523547  1
  Ni  Ni158  1  0.395009  0.947986  0.472726  1
  Ni  Ni159  1  0.039722  0.370661  0.566035  1
  Ni  Ni160  1  0.872971  0.681467  0.538267  1
  Ni  Ni161  1  0.026703  0.961809  0.487438  1
  Ni  Ni162  1  0.187754  0.247318  0.437512  1
  Ni  Ni163  1  0.876272  0.843021  0.560941  1
  Ni  Ni164  1  0.026646  0.124269  0.508772  1
  Ni  Ni165  1  0.220297  0.416045  0.464100  1
  Ni  Ni166  1  0.687107  0.694843  0.451683  1
  Ni  Ni167  1  0.313131  0.115745  0.543256  1
  Ni  Ni168  1  0.504850  0.401103  0.498072  1
  Ni  Ni169  1  0.587459  0.690381  0.503856  1
  Ni  Ni170  1  0.740833  0.969797  0.452997  1
  Ni  Ni171  1  0.392850  0.403372  0.547340  1
  Ni  Ni172  1  0.645645  0.597880  0.469644  1
  Ni  Ni173  1  0.274630  0.023133  0.562073  1
  Ni  Ni174  1  0.446852  0.301390  0.512970  1
  Ni  Ni175  1  0.628736  0.782609  0.485457  1
  Ni  Ni176  1  0.774421  0.065239  0.433823  1
  Ni  Ni177  1  0.449485  0.504173  0.532939  1
  Ni  Ni178  1  0.920667  0.618246  0.497339  1
  Ni  Ni179  1  0.074992  0.896869  0.447434  1
  Ni  Ni180  1  0.719540  0.333149  0.539306  1
  Ni  Ni181  1  0.352995  0.767209  0.457466  1
  Ni  Ni182  1  0.979805  0.187779  0.549216  1
  Ni  Ni183  1  0.176894  0.471725  0.506505  1
  Ni  Ni184  1  0.665505  0.512902  0.428661  1
  Ni  Ni185  1  0.309763  0.937558  0.523348  1
  Ni  Ni186  1  0.469258  0.218710  0.471649  1
  Ni  Ni187  1  0.592979  0.868319  0.525009  1
  Ni  Ni188  1  0.746542  0.150051  0.472593  1
  Ni  Ni189  1  0.428579  0.586355  0.574849  1
  Ni  Ni190  1  0.248577  0.840324  0.542093  1
  Ni  Ni191  1  0.399969  0.121452  0.489525  1
  Ni  Ni192  1  0.593588  0.411101  0.446383  1
  Ni  Ni193  1  0.498511  0.684270  0.557654  1
  Ni  Ni194  1  0.654705  0.964945  0.506162  1
  Ni  Ni195  1  0.815405  0.252465  0.454888  1
  Ni  Ni196  1  0.036756  0.718515  0.432165  1
  Ni  Ni197  1  0.659689  0.138321  0.523371  1
  Ni  Ni198  1  0.856590  0.433922  0.479561  1
  Ni  Ni199  1  0.795802  0.620773  0.574336  1
  Ni  Ni200  1  0.427491  0.039856  0.668378  1
  Ni  Ni201  1  0.593787  0.324826  0.616723  1
  Ni  Ni202  1  0.412801  0.946286  0.657888  1
  Ni  Ni203  1  0.570909  0.229097  0.605705  1
  Ni  Ni204  1  0.237289  0.668180  0.706306  1
  Ni  Ni205  1  0.811700  0.717119  0.584809  1
  Ni  Ni206  1  0.436315  0.134777  0.676530  1
  Ni  Ni207  1  0.614562  0.419449  0.628260  1
  Ni  Ni208  1  0.471009  0.937435  0.606719  1
  Ni  Ni209  1  0.142735  0.381209  0.694397  1
  Ni  Ni210  1  0.317793  0.660722  0.656411  1
  Ni  Ni211  1  0.755033  0.723585  0.636089  1
  Ni  Ni212  1  0.908282  0.007595  0.584277  1
  Ni  Ni213  1  0.491088  0.427032  0.679705  1
  Ni  Ni214  1  0.767691  0.899553  0.650543  1
  Ni  Ni215  1  0.921060  0.179806  0.598477  1
  Ni  Ni216  1  0.572647  0.614784  0.698954  1
  Ni  Ni217  1  0.461911  0.765963  0.592105  1
  Ni  Ni218  1  0.088846  0.182875  0.682307  1
  Ni  Ni219  1  0.278478  0.474846  0.637455  1
  Ni  Ni220  1  0.705799  0.805136  0.665787  1
  Ni  Ni221  1  0.866071  0.088054  0.615492  1
  Ni  Ni222  1  0.504916  0.513371  0.707697  1
  Ni  Ni223  1  0.332661  0.812933  0.684924  1
  Ni  Ni224  1  0.498439  0.099292  0.630990  1
  Ni  Ni225  1  0.676316  0.388288  0.581638  1
  Ni  Ni226  1  0.346475  0.978013  0.703728  1
  Ni  Ni227  1  0.511969  0.264709  0.652633  1
  Ni  Ni228  1  0.710402  0.557504  0.608366  1
  Ni  Ni229  1  0.164197  0.835356  0.595612  1
  Ni  Ni230  1  0.802000  0.251267  0.685444  1
  Ni  Ni231  1  0.993910  0.541322  0.642979  1
  Ni  Ni232  1  0.058350  0.829930  0.648563  1
  Ni  Ni233  1  0.215982  0.110552  0.595803  1
  Ni  Ni234  1  0.857944  0.549290  0.690932  1
  Ni  Ni235  1  0.125954  0.738780  0.612838  1
  Ni  Ni236  1  0.768707  0.153229  0.700914  1
  Ni  Ni237  1  0.945224  0.437467  0.654991  1
  Ni  Ni238  1  0.101912  0.923634  0.629249  1
  Ni  Ni239  1  0.255257  0.206449  0.576978  1
  Ni  Ni240  1  0.925349  0.646072  0.678620  1
  Ni  Ni241  1  0.397332  0.757638  0.641693  1
  Ni  Ni242  1  0.550923  0.037803  0.590237  1
  Ni  Ni243  1  0.163759  0.480622  0.684286  1
  Ni  Ni244  1  0.829702  0.908118  0.600724  1
  Ni  Ni245  1  0.472901  0.324890  0.693373  1
  Ni  Ni246  1  0.665086  0.610795  0.651968  1
  Ni  Ni247  1  0.151215  0.654372  0.574149  1
  Ni  Ni248  1  0.784133  0.075477  0.667414  1
  Ni  Ni249  1  0.957131  0.358677  0.615972  1
  Ni  Ni250  1  0.075462  1.003109  0.666476  1
  Ni  Ni251  1  0.233566  0.288570  0.616634  1
  Ni  Ni252  1  0.894675  0.720982  0.716121  1
  Ni  Ni253  1  0.731223  0.981065  0.685665  1
  Ni  Ni254  1  0.890224  0.261492  0.633891  1
  Ni  Ni255  1  0.082175  0.552920  0.591361  1
  Ni  Ni256  1  0.948212  0.817998  0.700605  1
  Ni  Ni257  1  0.122102  0.102479  0.649859  1
  Ni  Ni258  1  0.303999  0.394022  0.598287  1
  Ni  Ni259  1  0.507638  0.857718  0.575575  1
  Ni  Ni260  1  0.147334  0.281391  0.669159  1
  Ni  Ni261  1  0.344849  0.574327  0.624920  1
