# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.25231624
_cell_length_b   12.62885634
_cell_length_c   46.19527270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.00783745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8634.08431583
_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  0.587587  0.389520  0.312063  1
  Zr  Zr2  1  0.072778  0.192333  0.356612  1
  Zr  Zr3  1  0.125157  0.020516  0.282049  1
  Zr  Zr4  1  0.616709  0.824586  0.327018  1
  Zr  Zr5  1  0.329671  0.907126  0.350049  1
  Zr  Zr6  1  0.845840  0.098464  0.304668  1
  Zr  Zr7  1  0.356185  0.112850  0.337233  1
  Zr  Zr8  1  0.866358  0.314498  0.292223  1
  Zr  Zr9  1  0.360900  0.395243  0.359384  1
  Zr  Zr10  1  0.874878  0.592293  0.315263  1
  Zr  Zr11  1  0.320777  0.622653  0.326157  1
  Zr  Zr12  1  0.825930  0.829618  0.285815  1
  Zr  Zr13  1  0.131591  0.368044  0.307201  1
  Zr  Zr14  1  0.620496  0.167897  0.351300  1
  Zr  Zr15  1  0.577340  0.046623  0.291000  1
  Zr  Zr16  1  0.066866  0.852845  0.332784  1
  Zr  Zr17  1  0.555281  0.996062  0.403994  1
  Zr  Zr18  1  0.040386  0.799832  0.448265  1
  Zr  Zr19  1  0.099369  0.628611  0.371326  1
  Zr  Zr20  1  0.584634  0.431614  0.415667  1
  Zr  Zr21  1  0.299980  0.513269  0.439571  1
  Zr  Zr22  1  0.814842  0.709116  0.394712  1
  Zr  Zr23  1  0.324828  0.716300  0.424980  1
  Zr  Zr24  1  0.840168  0.914143  0.380802  1
  Zr  Zr25  1  0.331134  1.002645  0.448541  1
  Zr  Zr26  1  0.847278  0.200485  0.403713  1
  Zr  Zr27  1  0.293085  0.228967  0.415754  1
  Zr  Zr28  1  0.809033  0.425844  0.370075  1
  Zr  Zr29  1  0.104657  0.970729  0.396248  1
  Zr  Zr30  1  0.589006  0.772721  0.440949  1
  Zr  Zr31  1  0.550353  0.653371  0.377382  1
  Zr  Zr32  1  0.035668  0.457530  0.423002  1
  Zr  Zr33  1  0.525336  0.602873  0.492841  1
  Zr  Zr34  1  0.009582  0.406220  0.537958  1
  Zr  Zr35  1  0.069444  0.234954  0.460798  1
  Zr  Zr36  1  0.553703  0.038295  0.505924  1
  Zr  Zr37  1  0.269600  0.120752  0.529289  1
  Zr  Zr38  1  0.785106  0.317034  0.484171  1
  Zr  Zr39  1  0.293939  0.324324  0.514591  1
  Zr  Zr40  1  0.809484  0.520566  0.469445  1
  Zr  Zr41  1  0.300655  0.609083  0.537870  1
  Zr  Zr42  1  0.815874  0.806202  0.493302  1
  Zr  Zr43  1  0.263155  0.834850  0.505478  1
  Zr  Zr44  1  0.778394  0.032034  0.460909  1
  Zr  Zr45  1  0.073554  0.576332  0.485879  1
  Zr  Zr46  1  0.558657  0.379460  0.530671  1
  Zr  Zr47  1  0.520353  0.261746  0.468104  1
  Zr  Zr48  1  0.005426  0.064820  0.512906  1
  Zr  Zr49  1  0.494370  0.209596  0.583102  1
  Zr  Zr50  1  0.979733  0.012412  0.627390  1
  Zr  Zr51  1  0.038572  0.841300  0.550483  1
  Zr  Zr52  1  0.523829  0.645049  0.594721  1
  Zr  Zr53  1  0.238839  0.726945  0.618147  1
  Zr  Zr54  1  0.754340  0.924698  0.573791  1
  Zr  Zr55  1  0.264427  0.931928  0.603993  1
  Zr  Zr56  1  0.779022  0.127954  0.559134  1
  Zr  Zr57  1  0.270079  0.215145  0.628670  1
  Zr  Zr58  1  0.785973  0.412031  0.582987  1
  Zr  Zr59  1  0.231715  0.440697  0.595104  1
  Zr  Zr60  1  0.747913  0.638478  0.550208  1
  Zr  Zr61  1  0.043356  0.183662  0.575699  1
  Zr  Zr62  1  0.528722  0.987716  0.621380  1
  Zr  Zr63  1  0.490074  0.868456  0.557787  1
  Zr  Zr64  1  0.974293  0.670258  0.602571  1
  Zr  Zr65  1  0.462504  0.816454  0.671666  1
  Zr  Zr66  1  0.954259  0.615248  0.716325  1
  Zr  Zr67  1  0.006262  0.448898  0.642248  1
  Zr  Zr68  1  0.491883  0.251246  0.686697  1
  Zr  Zr69  1  0.212873  0.326341  0.706468  1
  Zr  Zr70  1  0.723007  0.529069  0.661514  1
  Zr  Zr71  1  0.232385  0.543710  0.694383  1
  Zr  Zr72  1  0.750187  0.735644  0.649429  1
  Zr  Zr73  1  0.252881  0.810703  0.713159  1
  Zr  Zr74  1  0.758096  0.017364  0.672365  1
  Zr  Zr75  1  0.204395  0.048735  0.683435  1
  Zr  Zr76  1  0.718068  0.246037  0.639274  1
  Zr  Zr77  1  0.013076  0.787848  0.665464  1
  Zr  Zr78  1  0.502158  0.594380  0.707719  1
  Zr  Zr79  1  0.458516  0.473303  0.647504  1
  Zr  Zr80  1  0.947283  0.272167  0.691582  1
  Ni  Ni81  1  0.121140  0.800752  0.275843  1
  Ni  Ni82  1  0.598789  0.606347  0.318896  1
  Ni  Ni83  1  0.469267  0.587724  0.288890  1
  Ni  Ni84  1  0.957783  0.390109  0.332707  1
  Ni  Ni85  1  0.240303  0.824928  0.308829  1
  Ni  Ni86  1  0.724309  0.628935  0.351527  1
  Ni  Ni87  1  0.519375  0.026796  0.344738  1
  Ni  Ni88  1  0.030304  0.225232  0.299221  1
  Ni  Ni89  1  0.168931  0.997707  0.337584  1
  Ni  Ni90  1  0.677645  0.193341  0.295161  1
  Ni  Ni91  1  0.414174  0.422762  0.305139  1
  Ni  Ni92  1  0.902073  0.226895  0.347291  1
  Ni  Ni93  1  0.296288  0.988969  0.294149  1
  Ni  Ni94  1  0.783768  0.790251  0.337906  1
  Ni  Ni95  1  0.250536  0.489254  0.292211  1
  Ni  Ni96  1  0.742793  0.289992  0.334844  1
  Ni  Ni97  1  0.231050  0.279079  0.358654  1
  Ni  Ni98  1  0.747444  0.477413  0.314883  1
  Ni  Ni99  1  0.450306  0.741396  0.324668  1
  Ni  Ni100  1  0.972266  0.929665  0.281439  1
  Ni  Ni101  1  0.402894  0.124991  0.285268  1
  Ni  Ni102  1  0.896178  0.914083  0.329051  1
  Ni  Ni103  1  0.308150  0.301715  0.309889  1
  Ni  Ni104  1  0.791800  0.105207  0.356465  1
  Ni  Ni105  1  0.215472  0.786518  0.361518  1
  Ni  Ni106  1  0.729193  0.991293  0.318353  1
  Ni  Ni107  1  0.470984  0.232067  0.325511  1
  Ni  Ni108  1  0.980113  0.437121  0.281527  1
  Ni  Ni109  1  0.201999  0.158851  0.314225  1
  Ni  Ni110  1  0.681566  0.956660  0.364222  1
  Ni  Ni111  1  0.510839  0.257449  0.278472  1
  Ni  Ni112  1  0.002678  0.062147  0.321713  1
  Ni  Ni113  1  0.153149  0.656035  0.314740  1
  Ni  Ni114  1  0.643044  0.464614  0.359447  1
  Ni  Ni115  1  0.548123  0.752975  0.280749  1
  Ni  Ni116  1  0.041642  0.549958  0.323633  1
  Ni  Ni117  1  0.476462  0.538192  0.344097  1
  Ni  Ni118  1  0.990469  0.733181  0.300065  1
  Ni  Ni119  1  0.208156  0.477507  0.341075  1
  Ni  Ni120  1  0.717721  0.677451  0.294705  1
  Ni  Ni121  1  0.457234  0.927043  0.306483  1
  Ni  Ni122  1  0.944006  0.726363  0.350290  1
  Ni  Ni123  1  0.084807  0.410214  0.364446  1
  Ni  Ni124  1  0.571214  0.214796  0.409758  1
  Ni  Ni125  1  0.444396  0.193013  0.378538  1
  Ni  Ni126  1  0.927243  0.997339  0.421981  1
  Ni  Ni127  1  0.212144  0.430779  0.397419  1
  Ni  Ni128  1  0.698572  0.234641  0.442265  1
  Ni  Ni129  1  0.488802  0.632392  0.433976  1
  Ni  Ni130  1  0.004428  0.829618  0.389146  1
  Ni  Ni131  1  0.136413  0.598329  0.430091  1
  Ni  Ni132  1  0.651251  0.794929  0.385127  1
  Ni  Ni133  1  0.386893  0.029389  0.394199  1
  Ni  Ni134  1  0.871652  0.834473  0.438234  1
  Ni  Ni135  1  0.267971  0.594163  0.381249  1
  Ni  Ni136  1  0.753212  0.397162  0.425902  1
  Ni  Ni137  1  0.226707  0.094210  0.379920  1
  Ni  Ni138  1  0.711837  0.898370  0.424804  1
  Ni  Ni139  1  0.202084  0.885330  0.449834  1
  Ni  Ni140  1  0.717924  0.082980  0.405201  1
  Ni  Ni141  1  0.423916  0.345889  0.414964  1
  Ni  Ni142  1  0.939023  0.542840  0.369883  1
  Ni  Ni143  1  0.380066  0.716475  0.372872  1
  Ni  Ni144  1  0.865172  0.519967  0.417959  1
  Ni  Ni145  1  0.274792  0.905844  0.401646  1
  Ni  Ni146  1  0.759115  0.710590  0.446254  1
  Ni  Ni147  1  0.185987  0.393072  0.450989  1
  Ni  Ni148  1  0.700796  0.589662  0.405803  1
  Ni  Ni149  1  0.438489  0.836969  0.413380  1
  Ni  Ni150  1  0.953608  0.036179  0.368751  1
  Ni  Ni151  1  0.166467  0.759037  0.408411  1
  Ni  Ni152  1  0.651519  0.561708  0.452549  1
  Ni  Ni153  1  0.488269  0.865946  0.366449  1
  Ni  Ni154  1  0.973394  0.669937  0.411981  1
  Ni  Ni155  1  0.128214  0.268155  0.405224  1
  Ni  Ni156  1  0.613519  0.073054  0.450992  1
  Ni  Ni157  1  0.527353  0.356238  0.367617  1
  Ni  Ni158  1  0.012679  0.158846  0.413162  1
  Ni  Ni159  1  0.447881  0.145830  0.435000  1
  Ni  Ni160  1  0.962804  0.340720  0.389709  1
  Ni  Ni161  1  0.177429  0.085683  0.429803  1
  Ni  Ni162  1  0.692955  0.283127  0.384746  1
  Ni  Ni163  1  0.427647  0.529660  0.395194  1
  Ni  Ni164  1  0.912912  0.332820  0.439832  1
  Ni  Ni165  1  0.055180  0.017410  0.454432  1
  Ni  Ni166  1  0.539520  0.820596  0.499368  1
  Ni  Ni167  1  0.411561  0.800237  0.466753  1
  Ni  Ni168  1  0.896257  0.603519  0.511687  1
  Ni  Ni169  1  0.182818  0.037637  0.487118  1
  Ni  Ni170  1  0.667498  0.840896  0.532004  1
  Ni  Ni171  1  0.457446  0.239391  0.524148  1
  Ni  Ni172  1  0.972969  0.435949  0.478996  1
  Ni  Ni173  1  0.106079  0.205210  0.519757  1
  Ni  Ni174  1  0.621550  0.401812  0.474615  1
  Ni  Ni175  1  0.356763  0.637428  0.482915  1
  Ni  Ni176  1  0.841274  0.440976  0.527679  1
  Ni  Ni177  1  0.237753  0.200238  0.471119  1
  Ni  Ni178  1  0.722243  1.003726  0.515857  1
  Ni  Ni179  1  0.196803  0.701380  0.469318  1
  Ni  Ni180  1  0.681798  0.504773  0.513828  1
  Ni  Ni181  1  0.170774  0.492263  0.539357  1
  Ni  Ni182  1  0.686757  0.688599  0.494404  1
  Ni  Ni183  1  0.392233  0.952565  0.504315  1
  Ni  Ni184  1  0.908223  0.148948  0.459413  1
  Ni  Ni185  1  0.349932  0.323603  0.462957  1
  Ni  Ni186  1  0.835208  0.127315  0.507640  1
  Ni  Ni187  1  0.243807  0.513892  0.491100  1
  Ni  Ni188  1  0.729073  0.317624  0.535788  1
  Ni  Ni189  1  0.156347  0.999353  0.540298  1
  Ni  Ni190  1  0.671028  0.196504  0.495736  1
  Ni  Ni191  1  0.407999  0.444720  0.503038  1
  Ni  Ni192  1  0.922763  0.641745  0.458436  1
  Ni  Ni193  1  0.135708  0.365250  0.497646  1
  Ni  Ni194  1  0.620123  0.168472  0.542447  1
  Ni  Ni195  1  0.458851  0.472737  0.456310  1
  Ni  Ni196  1  0.943331  0.275916  0.501126  1
  Ni  Ni197  1  0.098090  0.875763  0.495601  1
  Ni  Ni198  1  0.582897  0.679001  0.540166  1
  Ni  Ni199  1  0.496166  0.962195  0.458575  1
  Ni  Ni200  1  0.980897  0.765320  0.503188  1
  Ni  Ni201  1  0.417666  0.752071  0.524157  1
  Ni  Ni202  1  0.932888  0.948953  0.479437  1
  Ni  Ni203  1  0.146138  0.692143  0.519356  1
  Ni  Ni204  1  0.661384  0.889079  0.474607  1
  Ni  Ni205  1  0.397252  0.136422  0.484911  1
  Ni  Ni206  1  0.882178  0.939709  0.529442  1
  Ni  Ni207  1  0.023793  0.623831  0.544408  1
  Ni  Ni208  1  0.507868  0.426606  0.589087  1
  Ni  Ni209  1  0.380496  0.406575  0.556551  1
  Ni  Ni210  1  0.866896  0.210307  0.601340  1
  Ni  Ni211  1  0.151922  0.643711  0.576809  1
  Ni  Ni212  1  0.634860  0.448325  0.620253  1
  Ni  Ni213  1  0.428065  0.846056  0.613606  1
  Ni  Ni214  1  0.942566  0.042511  0.568719  1
  Ni  Ni215  1  0.074773  0.811410  0.609413  1
  Ni  Ni216  1  0.590276  0.008742  0.564769  1
  Ni  Ni217  1  0.325815  0.244072  0.572875  1
  Ni  Ni218  1  0.811015  0.046802  0.617463  1
  Ni  Ni219  1  0.207407  0.806580  0.560552  1
  Ni  Ni220  1  0.692377  0.611985  0.604663  1
  Ni  Ni221  1  0.166152  0.308385  0.558905  1
  Ni  Ni222  1  0.651390  0.111529  0.603509  1
  Ni  Ni223  1  0.139943  0.098606  0.628766  1
  Ni  Ni224  1  0.655042  0.295484  0.583784  1
  Ni  Ni225  1  0.360922  0.558245  0.593618  1
  Ni  Ni226  1  0.876846  0.755790  0.549040  1
  Ni  Ni227  1  0.319966  0.930588  0.552460  1
  Ni  Ni228  1  0.803978  0.735485  0.597448  1
  Ni  Ni229  1  0.213926  0.121181  0.580735  1
  Ni  Ni230  1  0.698794  0.924374  0.625658  1
  Ni  Ni231  1  0.125526  0.605061  0.630034  1
  Ni  Ni232  1  0.640571  0.804046  0.585306  1
  Ni  Ni233  1  0.378304  0.051429  0.592945  1
  Ni  Ni234  1  0.893039  0.248031  0.547772  1
  Ni  Ni235  1  0.105793  0.971278  0.586745  1
  Ni  Ni236  1  0.591513  0.774934  0.632266  1
  Ni  Ni237  1  0.427483  0.079468  0.546199  1
  Ni  Ni238  1  0.912502  0.881678  0.590602  1
  Ni  Ni239  1  0.066359  0.482270  0.585602  1
  Ni  Ni240  1  0.551666  0.284936  0.631141  1
  Ni  Ni241  1  0.465476  0.568091  0.547780  1
  Ni  Ni242  1  0.950796  0.372982  0.593531  1
  Ni  Ni243  1  0.386029  0.358116  0.614061  1
  Ni  Ni244  1  0.901494  0.555492  0.569022  1
  Ni  Ni245  1  0.116276  0.300398  0.609015  1
  Ni  Ni246  1  0.631230  0.495474  0.563773  1
  Ni  Ni247  1  0.367242  0.742745  0.573984  1
  Ni  Ni248  1  0.852265  0.546945  0.618906  1
  Ni  Ni249  1  0.994022  0.231268  0.634325  1
  Ni  Ni250  1  0.480126  0.035082  0.679982  1
  Ni  Ni251  1  0.354912  0.012029  0.647237  1
  Ni  Ni252  1  0.846619  0.814997  0.691480  1
  Ni  Ni253  1  0.121275  0.250813  0.666004  1
  Ni  Ni254  1  0.610462  0.052813  0.709883  1
  Ni  Ni255  1  0.401355  0.447805  0.703594  1
  Ni  Ni256  1  0.910467  0.643449  0.661140  1
  Ni  Ni257  1  0.049098  0.414806  0.699404  1
  Ni  Ni258  1  0.559714  0.614374  0.653965  1
  Ni  Ni259  1  0.295165  0.850741  0.661037  1
  Ni  Ni260  1  0.783114  0.652942  0.704756  1
  Ni  Ni261  1  0.177127  0.414107  0.651521  1
  Ni  Ni262  1  0.665031  0.217930  0.693498  1
  Ni  Ni263  1  0.135537  0.914783  0.647978  1
  Ni  Ni264  1  0.621685  0.713977  0.692322  1
  Ni  Ni265  1  0.100673  0.715791  0.717202  1
  Ni  Ni266  1  0.627694  0.900193  0.673992  1
  Ni  Ni267  1  0.331591  0.163734  0.683884  1
  Ni  Ni268  1  0.847791  0.362029  0.640124  1
  Ni  Ni269  1  0.287193  0.535758  0.642476  1
  Ni  Ni270  1  0.770843  0.339148  0.688844  1
  Ni  Ni271  1  0.182715  0.727159  0.669912  1
  Ni  Ni272  1  0.676596  0.516125  0.713439  1
  Ni  Ni273  1  0.098949  0.203381  0.717148  1
  Ni  Ni274  1  0.608227  0.409041  0.673178  1
  Ni  Ni275  1  0.350026  0.649693  0.680427  1
  Ni  Ni276  1  0.863756  0.854923  0.637671  1
  Ni  Ni277  1  0.076456  0.578918  0.676987  1
  Ni  Ni278  1  0.568591  0.383639  0.720205  1
  Ni  Ni279  1  0.397573  0.684503  0.634533  1
  Ni  Ni280  1  0.876799  0.481826  0.684473  1
  Ni  Ni281  1  0.037485  0.091078  0.674890  1
  Ni  Ni282  1  0.530796  0.887943  0.718043  1
  Ni  Ni283  1  0.435975  0.176529  0.639333  1
  Ni  Ni284  1  0.926659  0.984404  0.683827  1
  Ni  Ni285  1  0.361283  0.963234  0.704071  1
  Ni  Ni286  1  0.870735  0.162901  0.657635  1
  Ni  Ni287  1  0.091091  0.909340  0.697742  1
  Ni  Ni288  1  0.602599  0.102849  0.654596  1
  Ni  Ni289  1  0.336396  0.351094  0.663980  1
  Ni  Ni290  1  0.828182  0.150667  0.706406  1
