# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.99277078
_cell_length_b   15.86692714
_cell_length_c   49.00529230
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.37154243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8494.77924138
_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  0.465459  0.215030  0.291759  1
  Zr  Zr2  1  0.257136  0.700545  0.336495  1
  Zr  Zr3  1  0.700552  0.964796  0.268392  1
  Zr  Zr4  1  0.459169  0.450275  0.309316  1
  Zr  Zr5  1  0.039242  0.868209  0.277917  1
  Zr  Zr6  1  0.802999  0.368195  0.323781  1
  Zr  Zr7  1  0.122199  0.307956  0.275241  1
  Zr  Zr8  1  0.898288  0.780645  0.321264  1
  Zr  Zr9  1  0.997165  0.097311  0.307974  1
  Zr  Zr10  1  0.191940  0.619836  0.266521  1
  Zr  Zr11  1  0.719917  0.051607  0.338119  1
  Zr  Zr12  1  0.943538  0.557894  0.296262  1
  Zr  Zr13  1  0.742234  0.228147  0.262005  1
  Zr  Zr14  1  0.531500  0.722727  0.301236  1
  Zr  Zr15  1  0.420747  0.942012  0.296874  1
  Zr  Zr16  1  0.188387  0.424243  0.343259  1
  Zr  Zr17  1  0.034274  0.191979  0.382827  1
  Zr  Zr18  1  0.814621  0.685674  0.428330  1
  Zr  Zr19  1  0.243981  0.945726  0.354747  1
  Zr  Zr20  1  0.020073  0.437261  0.401098  1
  Zr  Zr21  1  0.587393  0.862338  0.368321  1
  Zr  Zr22  1  0.369698  0.355102  0.415370  1
  Zr  Zr23  1  0.684667  0.273462  0.368560  1
  Zr  Zr24  1  0.465080  0.768321  0.413500  1
  Zr  Zr25  1  0.551637  0.082143  0.396886  1
  Zr  Zr26  1  0.767804  0.589380  0.352280  1
  Zr  Zr27  1  0.284777  0.040694  0.431178  1
  Zr  Zr28  1  0.503164  0.548260  0.386020  1
  Zr  Zr29  1  0.305506  0.222914  0.349573  1
  Zr  Zr30  1  0.086382  0.716577  0.394772  1
  Zr  Zr31  1  0.972496  0.915210  0.387682  1
  Zr  Zr32  1  0.750155  0.408739  0.434042  1
  Zr  Zr33  1  0.593988  0.177476  0.474012  1
  Zr  Zr34  1  0.373310  0.671027  0.520097  1
  Zr  Zr35  1  0.801101  0.929121  0.445823  1
  Zr  Zr36  1  0.580423  0.422673  0.491907  1
  Zr  Zr37  1  0.150980  0.847689  0.461113  1
  Zr  Zr38  1  0.929066  0.340299  0.506888  1
  Zr  Zr39  1  0.245345  0.259850  0.459032  1
  Zr  Zr40  1  0.023431  0.752459  0.504807  1
  Zr  Zr41  1  0.110799  0.066886  0.488895  1
  Zr  Zr42  1  0.330026  0.575464  0.443349  1
  Zr  Zr43  1  0.844385  0.024684  0.522571  1
  Zr  Zr44  1  0.063612  0.533263  0.477025  1
  Zr  Zr45  1  0.863835  0.204883  0.440928  1
  Zr  Zr46  1  0.643243  0.699165  0.486593  1
  Zr  Zr47  1  0.531168  0.900984  0.479327  1
  Zr  Zr48  1  0.310576  0.395265  0.524992  1
  Zr  Zr49  1  0.154338  0.162888  0.564822  1
  Zr  Zr50  1  0.930430  0.654422  0.611172  1
  Zr  Zr51  1  0.359790  0.914474  0.537590  1
  Zr  Zr52  1  0.140137  0.408170  0.583093  1
  Zr  Zr53  1  0.709331  0.831827  0.552420  1
  Zr  Zr54  1  0.489744  0.326686  0.597360  1
  Zr  Zr55  1  0.804713  0.245047  0.550550  1
  Zr  Zr56  1  0.587018  0.737810  0.597599  1
  Zr  Zr57  1  0.671247  0.051889  0.579900  1
  Zr  Zr58  1  0.889634  0.559455  0.534742  1
  Zr  Zr59  1  0.406607  0.010768  0.613640  1
  Zr  Zr60  1  0.622774  0.518005  0.569034  1
  Zr  Zr61  1  0.424256  0.191410  0.531878  1
  Zr  Zr62  1  0.201915  0.684938  0.578237  1
  Zr  Zr63  1  0.088029  0.883572  0.571147  1
  Zr  Zr64  1  0.868905  0.377235  0.616347  1
  Zr  Zr65  1  0.715242  0.149873  0.656604  1
  Zr  Zr66  1  0.473859  0.635352  0.697527  1
  Zr  Zr67  1  0.917275  0.899604  0.629424  1
  Zr  Zr68  1  0.708952  0.385118  0.674161  1
  Zr  Zr69  1  0.276123  0.819503  0.644656  1
  Zr  Zr70  1  0.052212  0.292193  0.690678  1
  Zr  Zr71  1  0.371412  0.231954  0.642138  1
  Zr  Zr72  1  0.135169  0.731940  0.688002  1
  Zr  Zr73  1  0.230873  0.042255  0.669658  1
  Zr  Zr74  1  0.454494  0.548542  0.627801  1
  Zr  Zr75  1  0.982471  0.980312  0.699399  1
  Zr  Zr76  1  0.177246  0.502837  0.657945  1
  Zr  Zr77  1  0.986024  0.175906  0.622661  1
  Zr  Zr78  1  0.753664  0.658137  0.669046  1
  Zr  Zr79  1  0.642911  0.877422  0.664683  1
  Zr  Zr80  1  0.432177  0.372001  0.703915  1
  Ni  Ni81  1  0.351196  0.079045  0.321429  1
  Ni  Ni82  1  0.567821  0.572153  0.276637  1
  Ni  Ni83  1  0.217297  0.171781  0.296027  1
  Ni  Ni84  1  1.000124  0.653907  0.343630  1
  Ni  Ni85  1  0.949795  0.009308  0.262280  1
  Ni  Ni86  1  0.706342  0.494880  0.304671  1
  Ni  Ni87  1  0.299939  0.321217  0.311342  1
  Ni  Ni88  1  0.529805  0.838463  0.266613  1
  Ni  Ni89  1  0.414024  0.833130  0.332156  1
  Ni  Ni90  1  0.620349  0.354966  0.284877  1
  Ni  Ni91  1  0.871503  0.195990  0.342650  1
  Ni  Ni92  1  0.095697  0.713884  0.300196  1
  Ni  Ni93  1  0.852761  0.947944  0.304373  1
  Ni  Ni94  1  0.055212  0.467561  0.260029  1
  Ni  Ni95  1  0.690576  0.216364  0.313139  1
  Ni  Ni96  1  0.923877  0.702249  0.268250  1
  Ni  Ni97  1  0.974459  0.168795  0.258797  1
  Ni  Ni98  1  0.748665  0.651499  0.299575  1
  Ni  Ni99  1  0.178043  1.004435  0.297340  1
  Ni  Ni100  1  0.961496  0.492940  0.346405  1
  Ni  Ni101  1  0.263211  0.910182  0.262068  1
  Ni  Ni102  1  0.028913  0.402441  0.307646  1
  Ni  Ni103  1  0.911824  0.254912  0.296449  1
  Ni  Ni104  1  0.686334  0.745432  0.339465  1
  Ni  Ni105  1  0.636954  0.886821  0.315342  1
  Ni  Ni106  1  0.852302  0.396254  0.273614  1
  Ni  Ni107  1  0.087802  0.255708  0.328600  1
  Ni  Ni108  1  0.315464  0.770708  0.284398  1
  Ni  Ni109  1  0.529776  0.309800  0.331987  1
  Ni  Ni110  1  0.757600  0.807638  0.281466  1
  Ni  Ni111  1  0.200312  0.856379  0.312233  1
  Ni  Ni112  1  0.379329  0.350106  0.266887  1
  Ni  Ni113  1  0.569931  0.079146  0.297291  1
  Ni  Ni114  1  0.781884  0.547540  0.259242  1
  Ni  Ni115  1  0.147703  0.091431  0.344588  1
  Ni  Ni116  1  0.363414  0.598106  0.300063  1
  Ni  Ni117  1  0.354576  0.071590  0.270567  1
  Ni  Ni118  1  0.149319  0.559529  0.317252  1
  Ni  Ni119  1  0.797916  0.103072  0.287751  1
  Ni  Ni120  1  0.560590  0.592511  0.329438  1
  Ni  Ni121  1  0.027535  0.942547  0.332141  1
  Ni  Ni122  1  0.240411  0.459010  0.287543  1
  Ni  Ni123  1  0.918072  0.059944  0.414125  1
  Ni  Ni124  1  0.137381  0.570139  0.369099  1
  Ni  Ni125  1  0.784073  0.145475  0.388362  1
  Ni  Ni126  1  0.562778  0.639873  0.434201  1
  Ni  Ni127  1  0.489179  0.990902  0.348069  1
  Ni  Ni128  1  0.271287  0.483866  0.395112  1
  Ni  Ni129  1  0.865783  0.299975  0.401357  1
  Ni  Ni130  1  0.085899  0.807075  0.352634  1
  Ni  Ni131  1  0.969560  0.822278  0.428599  1
  Ni  Ni132  1  0.188133  0.329168  0.383229  1
  Ni  Ni133  1  0.434737  0.183915  0.433731  1
  Ni  Ni134  1  0.652915  0.692382  0.388312  1
  Ni  Ni135  1  0.402539  0.940091  0.394740  1
  Ni  Ni136  1  0.618858  0.447160  0.350520  1
  Ni  Ni137  1  0.253298  0.193520  0.404900  1
  Ni  Ni138  1  0.474326  0.701180  0.358276  1
  Ni  Ni139  1  0.528580  0.151380  0.345038  1
  Ni  Ni140  1  0.311797  0.645161  0.392291  1
  Ni  Ni141  1  0.744335  0.986191  0.390191  1
  Ni  Ni142  1  0.523462  0.479767  0.436663  1
  Ni  Ni143  1  0.809279  0.892451  0.352199  1
  Ni  Ni144  1  0.587385  0.386934  0.398054  1
  Ni  Ni145  1  0.467680  0.241936  0.385571  1
  Ni  Ni146  1  0.247189  0.735241  0.431463  1
  Ni  Ni147  1  0.190103  0.883541  0.408850  1
  Ni  Ni148  1  0.406830  0.390963  0.363350  1
  Ni  Ni149  1  0.648204  0.237659  0.420234  1
  Ni  Ni150  1  0.868096  0.745825  0.374210  1
  Ni  Ni151  1  0.083462  0.289445  0.425666  1
  Ni  Ni152  1  0.310051  0.800507  0.377488  1
  Ni  Ni153  1  0.749641  0.832711  0.403093  1
  Ni  Ni154  1  0.966317  0.337902  0.358531  1
  Ni  Ni155  1  0.130041  0.045739  0.393059  1
  Ni  Ni156  1  0.348791  0.553061  0.347807  1
  Ni  Ni157  1  0.705983  0.074650  0.435534  1
  Ni  Ni158  1  0.925583  0.584053  0.390622  1
  Ni  Ni159  1  0.931538  0.048963  0.361295  1
  Ni  Ni160  1  0.711521  0.543685  0.407549  1
  Ni  Ni161  1  0.343669  0.087725  0.375204  1
  Ni  Ni162  1  0.122362  0.580325  0.421491  1
  Ni  Ni163  1  0.582815  0.928429  0.423466  1
  Ni  Ni164  1  0.800528  0.435207  0.378870  1
  Ni  Ni165  1  0.477379  0.045769  0.505763  1
  Ni  Ni166  1  0.697032  0.554380  0.460156  1
  Ni  Ni167  1  0.343630  0.131867  0.479615  1
  Ni  Ni168  1  0.121865  0.624926  0.525608  1
  Ni  Ni169  1  0.052546  0.975223  0.440312  1
  Ni  Ni170  1  0.830781  0.468282  0.486305  1
  Ni  Ni171  1  0.425652  0.286202  0.491871  1
  Ni  Ni172  1  0.646471  0.793072  0.446131  1
  Ni  Ni173  1  0.527940  0.807077  0.519788  1
  Ni  Ni174  1  0.748759  0.313947  0.474048  1
  Ni  Ni175  1  0.994035  0.168963  0.525151  1
  Ni  Ni176  1  0.213401  0.676889  0.479775  1
  Ni  Ni177  1  0.961010  0.923259  0.486144  1
  Ni  Ni178  1  0.180376  0.431186  0.440769  1
  Ni  Ni179  1  0.813197  0.178471  0.496266  1
  Ni  Ni180  1  0.032833  0.686560  0.450537  1
  Ni  Ni181  1  0.090694  0.135032  0.438080  1
  Ni  Ni182  1  0.870040  0.628159  0.483854  1
  Ni  Ni183  1  0.304371  0.971990  0.482066  1
  Ni  Ni184  1  0.083717  0.465117  0.527840  1
  Ni  Ni185  1  0.369239  0.880901  0.443032  1
  Ni  Ni186  1  0.147523  0.372685  0.488877  1
  Ni  Ni187  1  0.026888  0.227464  0.477043  1
  Ni  Ni188  1  0.805172  0.719247  0.522888  1
  Ni  Ni189  1  0.746901  0.869008  0.500183  1
  Ni  Ni190  1  0.966333  0.376023  0.454820  1
  Ni  Ni191  1  0.208078  0.224126  0.511100  1
  Ni  Ni192  1  0.427510  0.731140  0.465736  1
  Ni  Ni193  1  0.644127  0.275186  0.516548  1
  Ni  Ni194  1  0.863412  0.782270  0.471036  1
  Ni  Ni195  1  0.310999  0.817879  0.494884  1
  Ni  Ni196  1  0.530284  0.324963  0.449371  1
  Ni  Ni197  1  0.689238  0.031636  0.484199  1
  Ni  Ni198  1  0.908330  0.539204  0.438880  1
  Ni  Ni199  1  0.266081  0.060945  0.527040  1
  Ni  Ni200  1  0.485173  0.568513  0.481720  1
  Ni  Ni201  1  0.492957  0.035755  0.452821  1
  Ni  Ni202  1  0.271785  0.529439  0.498948  1
  Ni  Ni203  1  0.902626  0.070709  0.466971  1
  Ni  Ni204  1  0.681454  0.564394  0.513099  1
  Ni  Ni205  1  0.141578  0.913588  0.515382  1
  Ni  Ni206  1  0.361214  0.421678  0.469653  1
  Ni  Ni207  1  0.037030  0.030010  0.596821  1
  Ni  Ni208  1  0.256339  0.540204  0.551795  1
  Ni  Ni209  1  0.903124  0.116283  0.570808  1
  Ni  Ni210  1  0.685232  0.609247  0.617851  1
  Ni  Ni211  1  0.611633  0.960276  0.531719  1
  Ni  Ni212  1  0.390338  0.454674  0.577557  1
  Ni  Ni213  1  0.986278  0.270981  0.582691  1
  Ni  Ni214  1  0.204851  0.777870  0.537320  1
  Ni  Ni215  1  0.088512  0.793074  0.613285  1
  Ni  Ni216  1  0.308628  0.300173  0.564562  1
  Ni  Ni217  1  0.555553  0.152989  0.615399  1
  Ni  Ni218  1  0.771872  0.660058  0.571179  1
  Ni  Ni219  1  0.521496  0.907766  0.577608  1
  Ni  Ni220  1  0.739674  0.416233  0.532189  1
  Ni  Ni221  1  0.373883  0.164941  0.587050  1
  Ni  Ni222  1  0.591596  0.671720  0.542454  1
  Ni  Ni223  1  0.650949  0.120382  0.529257  1
  Ni  Ni224  1  0.430076  0.613958  0.575729  1
  Ni  Ni225  1  0.862614  0.954988  0.573629  1
  Ni  Ni226  1  0.645831  0.448769  0.620882  1
  Ni  Ni227  1  0.927222  0.864907  0.534457  1
  Ni  Ni228  1  0.706731  0.358213  0.580348  1
  Ni  Ni229  1  0.587026  0.213215  0.567866  1
  Ni  Ni230  1  0.365132  0.707698  0.613720  1
  Ni  Ni231  1  0.306315  0.854324  0.591709  1
  Ni  Ni232  1  0.526207  0.362489  0.545686  1
  Ni  Ni233  1  0.767581  0.209185  0.602569  1
  Ni  Ni234  1  0.984308  0.716608  0.557069  1
  Ni  Ni235  1  0.208095  0.262247  0.607389  1
  Ni  Ni236  1  0.424770  0.767437  0.562827  1
  Ni  Ni237  1  0.864360  0.799641  0.588432  1
  Ni  Ni238  1  0.090949  0.310704  0.540254  1
  Ni  Ni239  1  0.248829  0.016096  0.575297  1
  Ni  Ni240  1  0.468428  0.525499  0.530386  1
  Ni  Ni241  1  0.825620  0.047088  0.618112  1
  Ni  Ni242  1  0.044370  0.554410  0.572861  1
  Ni  Ni243  1  0.052049  0.019823  0.544428  1
  Ni  Ni244  1  0.830742  0.512424  0.590716  1
  Ni  Ni245  1  0.462890  0.056464  0.558371  1
  Ni  Ni246  1  0.242873  0.551186  0.604625  1
  Ni  Ni247  1  0.700085  0.898968  0.607644  1
  Ni  Ni248  1  0.921113  0.406628  0.561020  1
  Ni  Ni249  1  0.606590  0.027996  0.689282  1
  Ni  Ni250  1  0.823215  0.521104  0.644490  1
  Ni  Ni251  1  0.468069  0.105269  0.661249  1
  Ni  Ni252  1  0.224616  0.590841  0.703640  1
  Ni  Ni253  1  0.174287  0.946242  0.622290  1
  Ni  Ni254  1  0.957114  0.428368  0.669892  1
  Ni  Ni255  1  0.554062  0.245183  0.681042  1
  Ni  Ni256  1  0.760387  0.767019  0.633764  1
  Ni  Ni257  1  0.644606  0.761686  0.699307  1
  Ni  Ni258  1  0.874472  0.278932  0.654577  1
  Ni  Ni259  1  0.119199  0.132588  0.705891  1
  Ni  Ni260  1  0.321650  0.652205  0.661546  1
  Ni  Ni261  1  0.078714  0.886265  0.665724  1
  Ni  Ni262  1  0.302908  0.404159  0.623270  1
  Ni  Ni263  1  0.934000  0.141139  0.678377  1
  Ni  Ni264  1  0.146876  0.657602  0.633778  1
  Ni  Ni265  1  0.212915  0.107209  0.619515  1
  Ni  Ni266  1  0.996368  0.595714  0.668579  1
  Ni  Ni267  1  0.425746  0.948650  0.666345  1
  Ni  Ni268  1  0.199952  0.431354  0.707122  1
  Ni  Ni269  1  0.488077  0.854717  0.626455  1
  Ni  Ni270  1  0.262587  0.345237  0.669471  1
  Ni  Ni271  1  0.145498  0.197708  0.658274  1
  Ni  Ni272  1  0.911200  0.689966  0.703851  1
  Ni  Ni273  1  0.858947  0.829441  0.681521  1
  Ni  Ni274  1  0.086609  0.344441  0.637320  1
  Ni  Ni275  1  0.322109  0.203895  0.692306  1
  Ni  Ni276  1  0.537457  0.713328  0.650578  1
  Ni  Ni277  1  0.795082  0.250043  0.699032  1
  Ni  Ni278  1  0.974099  0.743770  0.653687  1
  Ni  Ni279  1  0.416811  0.792510  0.684453  1
  Ni  Ni280  1  0.644635  0.290349  0.633933  1
  Ni  Ni281  1  0.810997  1.002042  0.665856  1
  Ni  Ni282  1  0.026708  0.508718  0.621332  1
  Ni  Ni283  1  0.392527  0.052609  0.706677  1
  Ni  Ni284  1  0.604480  0.521003  0.668629  1
  Ni  Ni285  1  0.613821  0.007637  0.636482  1
  Ni  Ni286  1  0.376495  0.497077  0.678169  1
  Ni  Ni287  1  0.025092  0.040620  0.648668  1
  Ni  Ni288  1  0.819835  0.528559  0.695353  1
  Ni  Ni289  1  0.250534  0.897900  0.697670  1
  Ni  Ni290  1  0.483835  0.383785  0.652780  1
