# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55510231
_cell_length_b   25.04094884
_cell_length_c   49.82157585
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.24909514
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8136.85101064
_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  0.493704  0.783026  0.413515  1
  Zr  Zr2  1  0.651390  0.072823  0.366352  1
  Zr  Zr3  1  0.801686  0.362503  0.315936  1
  Zr  Zr4  1  0.208934  0.453063  0.387360  1
  Zr  Zr5  1  0.384834  0.743124  0.338972  1
  Zr  Zr6  1  0.543366  0.033750  0.293551  1
  Zr  Zr7  1  0.541252  0.597025  0.387943  1
  Zr  Zr8  1  0.708163  0.886400  0.340489  1
  Zr  Zr9  1  0.869910  0.160601  0.298522  1
  Zr  Zr10  1  0.166019  0.639291  0.412099  1
  Zr  Zr11  1  0.326322  0.931222  0.363895  1
  Zr  Zr12  1  0.490826  0.224651  0.317883  1
  Zr  Zr13  1  0.350556  0.567831  0.323986  1
  Zr  Zr14  1  0.010572  0.984542  0.416864  1
  Zr  Zr15  1  0.176947  0.275578  0.370270  1
  Zr  Zr16  1  0.858193  0.541593  0.336838  1
  Zr  Zr17  1  0.056348  0.841512  0.292233  1
  Zr  Zr18  1  0.685206  0.252294  0.384067  1
  Zr  Zr19  1  0.293115  0.394338  0.308532  1
  Zr  Zr20  1  0.981907  0.809563  0.401680  1
  Zr  Zr21  1  0.147449  0.101811  0.354932  1
  Zr  Zr22  1  0.892269  0.716263  0.351213  1
  Zr  Zr23  1  0.055826  1.000351  0.302452  1
  Zr  Zr24  1  0.720021  0.425464  0.398872  1
  Zr  Zr25  1  0.991692  0.912485  0.556718  1
  Zr  Zr26  1  0.157066  0.203444  0.509584  1
  Zr  Zr27  1  0.324360  0.493145  0.461470  1
  Zr  Zr28  1  0.709978  0.582236  0.531060  1
  Zr  Zr29  1  0.877273  0.871937  0.482945  1
  Zr  Zr30  1  0.042647  0.162896  0.435812  1
  Zr  Zr31  1  0.038242  0.724957  0.532441  1
  Zr  Zr32  1  0.203523  0.014190  0.484526  1
  Zr  Zr33  1  0.370357  0.306365  0.436280  1
  Zr  Zr34  1  0.663981  0.769015  0.556250  1
  Zr  Zr35  1  0.830816  0.061191  0.508004  1
  Zr  Zr36  1  0.996097  0.350424  0.460089  1
  Zr  Zr37  1  0.846779  0.694117  0.465080  1
  Zr  Zr38  1  0.514182  0.114269  0.560976  1
  Zr  Zr39  1  0.677780  0.404401  0.512913  1
  Zr  Zr40  1  0.356559  0.670980  0.479616  1
  Zr  Zr41  1  0.520156  0.961112  0.431554  1
  Zr  Zr42  1  0.187560  0.381264  0.527449  1
  Zr  Zr43  1  0.812296  0.520660  0.449642  1
  Zr  Zr44  1  0.481313  0.940027  0.544859  1
  Zr  Zr45  1  0.645121  0.230809  0.497607  1
  Zr  Zr46  1  0.389218  0.844572  0.494923  1
  Zr  Zr47  1  0.553025  0.135354  0.447671  1
  Zr  Zr48  1  0.222043  0.554721  0.542887  1
  Zr  Zr49  1  0.490972  0.041630  0.698978  1
  Zr  Zr50  1  0.649505  0.332257  0.653558  1
  Zr  Zr51  1  0.825404  0.622318  0.605170  1
  Zr  Zr52  1  0.232652  0.712878  0.676594  1
  Zr  Zr53  1  0.382949  1.002558  0.626177  1
  Zr  Zr54  1  0.540634  0.292354  0.579015  1
  Zr  Zr55  1  0.543512  0.850729  0.674646  1
  Zr  Zr56  1  0.708017  0.144159  0.628635  1
  Zr  Zr57  1  0.868320  0.436089  0.580431  1
  Zr  Zr58  1  0.164428  0.914780  0.694007  1
  Zr  Zr59  1  0.326176  0.188981  0.652041  1
  Zr  Zr60  1  0.493086  0.478356  0.604587  1
  Zr  Zr61  1  0.349133  0.823087  0.608463  1
  Zr  Zr62  1  0.977990  0.233869  0.700297  1
  Zr  Zr63  1  0.176145  0.533788  0.655691  1
  Zr  Zr64  1  0.857391  0.799803  0.622260  1
  Zr  Zr65  1  0.023766  0.090838  0.575666  1
  Zr  Zr66  1  0.683782  0.507550  0.668544  1
  Zr  Zr67  1  0.314317  0.649917  0.593658  1
  Zr  Zr68  1  0.978513  0.075030  0.690078  1
  Zr  Zr69  1  0.142070  0.359117  0.641317  1
  Zr  Zr70  1  0.886889  0.973570  0.637598  1
  Zr  Zr71  1  0.052431  0.265818  0.590850  1
  Zr  Zr72  1  0.741223  0.681043  0.683998  1
  Ni  Ni73  1  0.511306  0.409395  0.351364  1
  Ni  Ni74  1  0.696058  0.699614  0.301988  1
  Ni  Ni75  1  0.348717  0.118063  0.401531  1
  Ni  Ni76  1  0.678489  0.597392  0.294967  1
  Ni  Ni77  1  0.330204  0.022215  0.389149  1
  Ni  Ni78  1  0.493419  0.314413  0.340711  1
  Ni  Ni79  1  0.536125  0.502816  0.363320  1
  Ni  Ni80  1  0.716548  0.794545  0.313677  1
  Ni  Ni81  1  0.365733  0.213738  0.411812  1
  Ni  Ni82  1  0.208733  0.726809  0.387175  1
  Ni  Ni83  1  0.352283  0.021614  0.336759  1
  Ni  Ni84  1  0.494048  0.308714  0.289656  1
  Ni  Ni85  1  0.497464  0.508590  0.413874  1
  Ni  Ni86  1  0.666363  0.798853  0.364954  1
  Ni  Ni87  1  0.852412  0.073803  0.322934  1
  Ni  Ni88  1  0.044987  0.550388  0.290352  1
  Ni  Ni89  1  0.682648  0.971000  0.382555  1
  Ni  Ni90  1  0.844002  0.260044  0.335656  1
  Ni  Ni91  1  0.186823  0.554854  0.371257  1
  Ni  Ni92  1  0.366177  0.843209  0.324063  1
  Ni  Ni93  1  0.014698  0.264519  0.419005  1
  Ni  Ni94  1  0.953457  0.457920  0.302176  1
  Ni  Ni95  1  0.624407  0.876867  0.396730  1
  Ni  Ni96  1  0.789922  0.165198  0.349776  1
  Ni  Ni97  1  0.584482  0.471557  0.314763  1
  Ni  Ni98  1  0.258643  0.889305  0.412765  1
  Ni  Ni99  1  0.423286  0.179179  0.365169  1
  Ni  Ni100  1  0.619617  0.639843  0.338898  1
  Ni  Ni101  1  0.778101  0.930947  0.291527  1
  Ni  Ni102  1  0.442380  0.348396  0.387793  1
  Ni  Ni103  1  0.898136  0.625402  0.374528  1
  Ni  Ni104  1  0.054977  0.915868  0.328933  1
  Ni  Ni105  1  0.193290  0.209577  0.284299  1
  Ni  Ni106  1  0.810797  0.611248  0.425331  1
  Ni  Ni107  1  0.975067  0.900732  0.378418  1
  Ni  Ni108  1  0.137782  0.192257  0.331463  1
  Ni  Ni109  1  0.855537  0.525390  0.391984  1
  Ni  Ni110  1  0.028983  0.815121  0.343570  1
  Ni  Ni111  1  0.194246  0.101161  0.301101  1
  Ni  Ni112  1  0.848849  0.710642  0.409582  1
  Ni  Ni113  1  0.004984  1.001680  0.360301  1
  Ni  Ni114  1  0.155179  0.293881  0.315793  1
  Ni  Ni115  1  0.144115  0.541453  0.420171  1
  Ni  Ni116  1  0.312889  0.832053  0.372606  1
  Ni  Ni117  1  0.496020  0.124390  0.322940  1
  Ni  Ni118  1  0.563384  0.694791  0.381065  1
  Ni  Ni119  1  0.709137  0.983578  0.333179  1
  Ni  Ni120  1  0.849188  0.263731  0.288308  1
  Ni  Ni121  1  0.872031  0.442300  0.350864  1
  Ni  Ni122  1  0.051820  0.737693  0.305575  1
  Ni  Ni123  1  0.708982  0.153930  0.401039  1
  Ni  Ni124  1  0.340579  0.664721  0.303194  1
  Ni  Ni125  1  0.986904  0.082765  0.400999  1
  Ni  Ni126  1  0.147520  0.373055  0.352057  1
  Ni  Ni127  1  0.990665  0.634248  0.319486  1
  Ni  Ni128  1  0.646103  0.051766  0.417829  1
  Ni  Ni129  1  0.811596  0.342964  0.368161  1
  Ni  Ni130  1  0.215722  0.477062  0.336130  1
  Ni  Ni131  1  0.390892  0.765430  0.288854  1
  Ni  Ni132  1  0.049947  0.184426  0.384458  1
  Ni  Ni133  1  0.248912  0.650047  0.355400  1
  Ni  Ni134  1  0.405440  0.936269  0.308652  1
  Ni  Ni135  1  0.073041  0.359103  0.403835  1
  Ni  Ni136  1  0.017169  0.537690  0.496265  1
  Ni  Ni137  1  0.185108  0.827320  0.448228  1
  Ni  Ni138  1  0.849230  0.248061  0.544302  1
  Ni  Ni139  1  0.168826  0.731478  0.437600  1
  Ni  Ni140  1  0.834345  0.152231  0.533449  1
  Ni  Ni141  1  0.999477  0.442061  0.485393  1
  Ni  Ni142  1  0.034862  0.633320  0.507137  1
  Ni  Ni143  1  0.199993  0.923150  0.459081  1
  Ni  Ni144  1  0.865513  0.343903  0.554929  1
  Ni  Ni145  1  0.703965  0.856978  0.530427  1
  Ni  Ni146  1  0.868095  0.149353  0.482802  1
  Ni  Ni147  1  0.034385  0.438655  0.434668  1
  Ni  Ni148  1  0.999953  0.636726  0.557861  1
  Ni  Ni149  1  0.166243  0.926027  0.509728  1
  Ni  Ni150  1  0.330373  0.218403  0.462103  1
  Ni  Ni151  1  0.518981  0.681771  0.430255  1
  Ni  Ni152  1  0.185044  0.101517  0.526549  1
  Ni  Ni153  1  0.350310  0.391930  0.478261  1
  Ni  Ni154  1  0.684029  0.683451  0.514269  1
  Ni  Ni155  1  0.849295  0.973864  0.465981  1
  Ni  Ni156  1  0.515357  0.393609  0.562275  1
  Ni  Ni157  1  0.459315  0.587505  0.444583  1
  Ni  Ni158  1  0.125760  0.006648  0.540259  1
  Ni  Ni159  1  0.290390  0.297707  0.492651  1
  Ni  Ni160  1  0.092333  0.599154  0.460457  1
  Ni  Ni161  1  0.759857  0.019392  0.556053  1
  Ni  Ni162  1  0.923839  0.309307  0.508412  1
  Ni  Ni163  1  0.110499  0.766073  0.484118  1
  Ni  Ni164  1  0.274481  0.055989  0.436477  1
  Ni  Ni165  1  0.942005  0.476227  0.532073  1
  Ni  Ni166  1  0.392622  0.754130  0.519080  1
  Ni  Ni167  1  0.557617  0.044382  0.471173  1
  Ni  Ni168  1  0.723979  0.335307  0.423056  1
  Ni  Ni169  1  0.310359  0.740073  0.569473  1
  Ni  Ni170  1  0.476722  0.030999  0.521357  1
  Ni  Ni171  1  0.641716  0.321251  0.473449  1
  Ni  Ni172  1  0.356346  0.654404  0.535376  1
  Ni  Ni173  1  0.523205  0.944163  0.487090  1
  Ni  Ni174  1  0.687874  0.235139  0.439639  1
  Ni  Ni175  1  0.346464  0.840242  0.552891  1
  Ni  Ni176  1  0.511134  0.131218  0.505440  1
  Ni  Ni177  1  0.677993  0.420977  0.457154  1
  Ni  Ni178  1  0.646469  0.671078  0.563426  1
  Ni  Ni179  1  0.813632  0.962441  0.515045  1
  Ni  Ni180  1  0.976587  0.252055  0.467909  1
  Ni  Ni181  1  0.057752  0.823326  0.524621  1
  Ni  Ni182  1  0.220707  0.112940  0.477485  1
  Ni  Ni183  1  0.387869  0.404303  0.429104  1
  Ni  Ni184  1  0.378030  0.573300  0.496419  1
  Ni  Ni185  1  0.544968  0.863204  0.448514  1
  Ni  Ni186  1  0.209652  0.283697  0.544487  1
  Ni  Ni187  1  0.824687  0.791683  0.448043  1
  Ni  Ni188  1  0.489371  0.212177  0.544016  1
  Ni  Ni189  1  0.656308  0.502080  0.496110  1
  Ni  Ni190  1  0.483138  0.761804  0.465268  1
  Ni  Ni191  1  0.148749  0.182323  0.561287  1
  Ni  Ni192  1  0.314418  0.471947  0.513302  1
  Ni  Ni193  1  0.719920  0.603434  0.479228  1
  Ni  Ni194  1  0.885590  0.893058  0.431243  1
  Ni  Ni195  1  0.551201  0.313577  0.527262  1
  Ni  Ni196  1  0.743948  0.777673  0.499879  1
  Ni  Ni197  1  0.908578  0.068733  0.452271  1
  Ni  Ni198  1  0.575024  0.487876  0.547947  1
  Ni  Ni199  1  0.523032  0.665986  0.641165  1
  Ni  Ni200  1  0.685622  0.957318  0.590999  1
  Ni  Ni201  1  0.338280  0.375767  0.690542  1
  Ni  Ni202  1  0.668606  0.861643  0.580718  1
  Ni  Ni203  1  0.317790  0.280836  0.678852  1
  Ni  Ni204  1  0.498213  0.572564  0.629210  1
  Ni  Ni205  1  0.540920  0.760968  0.651819  1
  Ni  Ni206  1  0.704135  0.053166  0.603380  1
  Ni  Ni207  1  0.355850  0.477988  0.697563  1
  Ni  Ni208  1  0.181927  1.001578  0.669596  1
  Ni  Ni209  1  0.367975  0.276528  0.627576  1
  Ni  Ni210  1  0.536874  0.566791  0.578656  1
  Ni  Ni211  1  0.540290  0.766667  0.702873  1
  Ni  Ni212  1  0.682056  0.053767  0.655770  1
  Ni  Ni213  1  0.825605  0.348572  0.605354  1
  Ni  Ni214  1  0.019641  0.810862  0.573525  1
  Ni  Ni215  1  0.668162  0.232172  0.668467  1
  Ni  Ni216  1  0.847515  0.520527  0.621273  1
  Ni  Ni217  1  0.190336  0.815337  0.656874  1
  Ni  Ni218  1  0.351690  0.104380  0.609974  1
  Ni  Ni219  1  0.989351  0.524993  0.702178  1
  Ni  Ni220  1  0.961298  0.716278  0.588695  1
  Ni  Ni221  1  0.628899  0.139112  0.683878  1
  Ni  Ni222  1  0.785427  0.425334  0.637129  1
  Ni  Ni223  1  0.591959  0.726984  0.604736  1
  Ni  Ni224  1  0.256237  0.144434  0.701003  1
  Ni  Ni225  1  0.414721  0.435538  0.653632  1
  Ni  Ni226  1  0.611052  0.896202  0.627361  1
  Ni  Ni227  1  0.775695  0.186076  0.579765  1
  Ni  Ni228  1  0.449856  0.603824  0.677766  1
  Ni  Ni229  1  0.896556  0.883124  0.661067  1
  Ni  Ni230  1  0.059271  0.174649  0.614112  1
  Ni  Ni231  1  0.223542  0.464132  0.567199  1
  Ni  Ni232  1  0.841048  0.865803  0.708231  1
  Ni  Ni233  1  0.979361  0.159513  0.663597  1
  Ni  Ni234  1  0.136202  0.449979  0.618001  1
  Ni  Ni235  1  0.879159  0.781499  0.676737  1
  Ni  Ni236  1  0.029354  0.073701  0.632228  1
  Ni  Ni237  1  0.185489  0.364739  0.582948  1
  Ni  Ni238  1  0.840092  0.974220  0.691429  1
  Ni  Ni239  1  0.005355  0.260260  0.648960  1
  Ni  Ni240  1  0.178801  0.549991  0.600546  1
  Ni  Ni241  1  0.185150  0.811649  0.704222  1
  Ni  Ni242  1  0.325201  0.091803  0.659351  1
  Ni  Ni243  1  0.470954  0.380590  0.611464  1
  Ni  Ni244  1  0.538319  0.950990  0.669589  1
  Ni  Ni245  1  0.721449  0.243328  0.619923  1
  Ni  Ni246  1  0.890224  0.533928  0.572359  1
  Ni  Ni247  1  0.886818  0.702326  0.640473  1
  Ni  Ni248  1  0.047435  0.992616  0.591531  1
  Ni  Ni249  1  0.693759  0.410660  0.689336  1
  Ni  Ni250  1  0.325356  0.921451  0.591491  1
  Ni  Ni251  1  0.982518  0.337688  0.686955  1
  Ni  Ni252  1  0.162308  0.633081  0.641666  1
  Ni  Ni253  1  0.984392  0.890955  0.608072  1
  Ni  Ni254  1  0.643447  0.309951  0.703675  1
  Ni  Ni255  1  0.818617  0.598319  0.656400  1
  Ni  Ni256  1  0.222742  0.732417  0.624368  1
  Ni  Ni257  1  0.388236  0.023614  0.574701  1
  Ni  Ni258  1  0.043674  0.441132  0.673044  1
  Ni  Ni259  1  0.244417  0.910182  0.642753  1
  Ni  Ni260  1  0.409931  0.198514  0.595800  1
  Ni  Ni261  1  0.080881  0.617461  0.690354  1
