# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49079958
_cell_length_b   24.36357913
_cell_length_c   52.35839626
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.80068905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8267.00537226
_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  0.158893  0.648619  0.353265  1
  Zr  Zr2  1  0.752538  0.341176  0.400482  1
  Zr  Zr3  1  0.553679  0.954795  0.306669  1
  Zr  Zr4  1  0.088384  0.485311  0.368655  1
  Zr  Zr5  1  0.686043  0.177987  0.414131  1
  Zr  Zr6  1  0.486401  0.794141  0.319773  1
  Zr  Zr7  1  0.387479  0.516557  0.299664  1
  Zr  Zr8  1  0.024725  0.198929  0.339829  1
  Zr  Zr9  1  0.619137  0.891855  0.388210  1
  Zr  Zr10  1  0.820527  0.626641  0.424015  1
  Zr  Zr11  1  0.604021  0.244719  0.332345  1
  Zr  Zr12  1  0.218776  0.935392  0.377961  1
  Zr  Zr13  1  0.457158  0.741608  0.401375  1
  Zr  Zr14  1  0.270458  0.357661  0.310890  1
  Zr  Zr15  1  0.859706  0.049939  0.355623  1
  Zr  Zr16  1  0.782957  0.395796  0.318462  1
  Zr  Zr17  1  0.391708  0.083456  0.363628  1
  Zr  Zr18  1  0.987415  0.775040  0.409839  1
  Zr  Zr19  1  0.656711  0.618666  0.339902  1
  Zr  Zr20  1  0.236663  0.314925  0.391115  1
  Zr  Zr21  1  0.051091  0.930715  0.296112  1
  Zr  Zr22  1  0.605166  0.511650  0.379148  1
  Zr  Zr23  1  0.203765  0.203483  0.423581  1
  Zr  Zr24  1  0.994847  0.819904  0.330487  1
  Zr  Zr25  1  0.952395  0.725115  0.491806  1
  Zr  Zr26  1  0.552054  0.418196  0.540052  1
  Zr  Zr27  1  0.352415  0.033105  0.445422  1
  Zr  Zr28  1  0.884556  0.562588  0.508247  1
  Zr  Zr29  1  0.484691  0.254625  0.554864  1
  Zr  Zr30  1  0.284841  0.869525  0.460042  1
  Zr  Zr31  1  0.216477  0.585126  0.436601  1
  Zr  Zr32  1  0.822184  0.276155  0.481830  1
  Zr  Zr33  1  0.420155  0.968930  0.527077  1
  Zr  Zr34  1  0.620502  0.702583  0.563446  1
  Zr  Zr35  1  0.417462  0.318699  0.472968  1
  Zr  Zr36  1  0.014420  0.011636  0.518591  1
  Zr  Zr37  1  0.250543  0.819516  0.541211  1
  Zr  Zr38  1  0.050811  0.435199  0.450387  1
  Zr  Zr39  1  0.651074  0.127650  0.495989  1
  Zr  Zr40  1  0.586689  0.468167  0.458870  1
  Zr  Zr41  1  0.185879  0.160103  0.504398  1
  Zr  Zr42  1  0.786601  0.852448  0.549681  1
  Zr  Zr43  1  0.435957  0.699191  0.482434  1
  Zr  Zr44  1  0.034187  0.391854  0.530775  1
  Zr  Zr45  1  0.835058  0.007628  0.436137  1
  Zr  Zr46  1  0.400881  0.588538  0.517624  1
  Zr  Zr47  1  1.001724  0.280153  0.564152  1
  Zr  Zr48  1  0.802969  0.895845  0.469299  1
  Zr  Zr49  1  0.748923  0.802338  0.631458  1
  Zr  Zr50  1  0.346984  0.493156  0.680411  1
  Zr  Zr51  1  0.151439  0.109814  0.586217  1
  Zr  Zr52  1  0.677196  0.639178  0.646748  1
  Zr  Zr53  1  0.275286  0.334416  0.692900  1
  Zr  Zr54  1  0.085290  0.946533  0.599712  1
  Zr  Zr55  1  0.016375  0.661057  0.576082  1
  Zr  Zr56  1  0.616502  0.352211  0.622326  1
  Zr  Zr57  1  0.236810  0.043105  0.667641  1
  Zr  Zr58  1  0.449558  0.771033  0.700389  1
  Zr  Zr59  1  0.217017  0.395983  0.611681  1
  Zr  Zr60  1  0.813659  0.089282  0.660784  1
  Zr  Zr61  1  0.055581  0.891791  0.681677  1
  Zr  Zr62  1  0.848871  0.512720  0.590180  1
  Zr  Zr63  1  0.447374  0.204486  0.636864  1
  Zr  Zr64  1  0.378649  0.546156  0.598702  1
  Zr  Zr65  1  0.977952  0.237912  0.644741  1
  Zr  Zr66  1  0.569093  0.930061  0.689217  1
  Zr  Zr67  1  0.232080  0.776116  0.620908  1
  Zr  Zr68  1  0.838415  0.467888  0.669512  1
  Zr  Zr69  1  0.633421  0.084257  0.576824  1
  Zr  Zr70  1  0.179019  0.668832  0.660248  1
  Zr  Zr71  1  0.777816  0.355577  0.704126  1
  Zr  Zr72  1  0.601611  0.972847  0.609066  1
  Ni  Ni73  1  0.822778  0.720055  0.334777  1
  Ni  Ni74  1  0.418391  0.412704  0.384364  1
  Ni  Ni75  1  0.223355  0.025612  0.288355  1
  Ni  Ni76  1  0.805011  0.690972  0.380932  1
  Ni  Ni77  1  0.398760  0.384414  0.431113  1
  Ni  Ni78  1  0.207051  0.999412  0.334272  1
  Ni  Ni79  1  0.436531  0.443534  0.338734  1
  Ni  Ni80  1  0.043223  0.134435  0.382848  1
  Ni  Ni81  1  0.855425  0.753461  0.290687  1
  Ni  Ni82  1  0.894630  0.586588  0.379611  1
  Ni  Ni83  1  0.491932  0.280294  0.428360  1
  Ni  Ni84  1  0.287222  0.895042  0.333162  1
  Ni  Ni85  1  0.361784  0.548532  0.344371  1
  Ni  Ni86  1  0.950446  0.237937  0.385363  1
  Ni  Ni87  1  0.758332  0.858266  0.293305  1
  Ni  Ni88  1  0.157670  0.671092  0.401318  1
  Ni  Ni89  1  0.945697  0.293156  0.310091  1
  Ni  Ni90  1  0.556938  0.979230  0.353671  1
  Ni  Ni91  1  0.083956  0.463629  0.319912  1
  Ni  Ni92  1  0.690765  0.157890  0.365197  1
  Ni  Ni93  1  0.283075  0.848010  0.412008  1
  Ni  Ni94  1  0.299810  0.620495  0.308945  1
  Ni  Ni95  1  0.889008  0.314118  0.354570  1
  Ni  Ni96  1  0.497646  0.005435  0.399949  1
  Ni  Ni97  1  0.933246  0.646901  0.302881  1
  Ni  Ni98  1  0.522780  0.345541  0.351369  1
  Ni  Ni99  1  0.125168  0.037664  0.397252  1
  Ni  Ni100  1  0.314264  0.481387  0.417889  1
  Ni  Ni101  1  0.122158  0.094995  0.321896  1
  Ni  Ni102  1  0.716362  0.787948  0.367962  1
  Ni  Ni103  1  0.869631  0.537962  0.293220  1
  Ni  Ni104  1  0.396873  0.161306  0.329294  1
  Ni  Ni105  1  0.986281  0.857338  0.376011  1
  Ni  Ni106  1  0.455048  0.661077  0.436363  1
  Ni  Ni107  1  0.240932  0.279654  0.345543  1
  Ni  Ni108  1  0.852253  0.969413  0.390167  1
  Ni  Ni109  1  0.726294  0.503145  0.332599  1
  Ni  Ni110  1  0.327571  0.195633  0.374959  1
  Ni  Ni111  1  0.146423  0.820295  0.286322  1
  Ni  Ni112  1  0.517922  0.629490  0.389578  1
  Ni  Ni113  1  0.112974  0.323303  0.438794  1
  Ni  Ni114  1  0.911725  0.939605  0.342666  1
  Ni  Ni115  1  0.016319  0.562163  0.332327  1
  Ni  Ni116  1  0.586055  0.257780  0.379859  1
  Ni  Ni117  1  0.183678  0.949157  0.425530  1
  Ni  Ni118  1  0.250497  0.569930  0.390269  1
  Ni  Ni119  1  0.278076  0.244928  0.301423  1
  Ni  Ni120  1  0.650893  0.877271  0.341230  1
  Ni  Ni121  1  0.780590  0.416970  0.365365  1
  Ni  Ni122  1  0.382201  0.108892  0.411081  1
  Ni  Ni123  1  0.183861  0.722623  0.315047  1
  Ni  Ni124  1  0.465235  0.714870  0.352891  1
  Ni  Ni125  1  0.055785  0.409463  0.403282  1
  Ni  Ni126  1  0.865286  0.024939  0.308533  1
  Ni  Ni127  1  0.697893  0.443052  0.414026  1
  Ni  Ni128  1  0.494870  0.058758  0.317513  1
  Ni  Ni129  1  0.104020  0.749861  0.364421  1
  Ni  Ni130  1  0.556501  0.691250  0.304275  1
  Ni  Ni131  1  0.136183  0.383802  0.354081  1
  Ni  Ni132  1  0.741663  0.076275  0.400242  1
  Ni  Ni133  1  0.943042  0.513682  0.414211  1
  Ni  Ni134  1  0.748997  0.128165  0.320240  1
  Ni  Ni135  1  0.345261  0.821002  0.366204  1
  Ni  Ni136  1  0.619091  0.797707  0.475731  1
  Ni  Ni137  1  0.217902  0.490031  0.524310  1
  Ni  Ni138  1  0.018773  0.106064  0.429638  1
  Ni  Ni139  1  0.599290  0.768803  0.522115  1
  Ni  Ni140  1  0.197155  0.461740  0.570678  1
  Ni  Ni141  1  0.998523  0.076694  0.476332  1
  Ni  Ni142  1  0.237833  0.518899  0.477944  1
  Ni  Ni143  1  0.838375  0.211029  0.524035  1
  Ni  Ni144  1  0.639484  0.826024  0.429340  1
  Ni  Ni145  1  0.694430  0.664102  0.519269  1
  Ni  Ni146  1  0.290881  0.356967  0.567651  1
  Ni  Ni147  1  0.090396  0.972703  0.473661  1
  Ni  Ni148  1  0.142470  0.623610  0.480776  1
  Ni  Ni149  1  0.746291  0.315121  0.526698  1
  Ni  Ni150  1  0.546336  0.930693  0.432344  1
  Ni  Ni151  1  0.955387  0.746950  0.540147  1
  Ni  Ni152  1  0.754295  0.362342  0.448431  1
  Ni  Ni153  1  0.353331  0.054614  0.493671  1
  Ni  Ni154  1  0.881692  0.540732  0.459920  1
  Ni  Ni155  1  0.483519  0.233062  0.506600  1
  Ni  Ni156  1  0.083293  0.925397  0.551757  1
  Ni  Ni157  1  0.097490  0.697240  0.446781  1
  Ni  Ni158  1  0.694538  0.389716  0.494459  1
  Ni  Ni159  1  0.292860  0.082243  0.539937  1
  Ni  Ni160  1  0.725512  0.729118  0.443069  1
  Ni  Ni161  1  0.323026  0.421853  0.491433  1
  Ni  Ni162  1  0.921417  0.114298  0.537602  1
  Ni  Ni163  1  0.111198  0.558618  0.556966  1
  Ni  Ni164  1  0.915540  0.173471  0.462817  1
  Ni  Ni165  1  0.514270  0.865813  0.508628  1
  Ni  Ni166  1  0.584374  0.549971  0.424482  1
  Ni  Ni167  1  0.188974  0.240030  0.469961  1
  Ni  Ni168  1  0.787457  0.932638  0.515311  1
  Ni  Ni169  1  0.252722  0.737743  0.575593  1
  Ni  Ni170  1  0.050168  0.354924  0.484779  1
  Ni  Ni171  1  0.647645  0.047820  0.530401  1
  Ni  Ni172  1  0.522134  0.580584  0.470169  1
  Ni  Ni173  1  0.124923  0.272128  0.516362  1
  Ni  Ni174  1  0.925611  0.887260  0.421943  1
  Ni  Ni175  1  0.314818  0.707134  0.529891  1
  Ni  Ni176  1  0.910940  0.400504  0.578046  1
  Ni  Ni177  1  0.711866  0.015659  0.483973  1
  Ni  Ni178  1  0.783892  0.640847  0.471475  1
  Ni  Ni179  1  0.384201  0.334011  0.520138  1
  Ni  Ni180  1  0.981602  0.026649  0.566327  1
  Ni  Ni181  1  0.052984  0.646878  0.528586  1
  Ni  Ni182  1  0.855629  0.261169  0.434138  1
  Ni  Ni183  1  0.452978  0.953615  0.479912  1
  Ni  Ni184  1  0.580306  0.493910  0.505769  1
  Ni  Ni185  1  0.179414  0.185568  0.551749  1
  Ni  Ni186  1  0.981926  0.800896  0.456940  1
  Ni  Ni187  1  0.256746  0.793816  0.494306  1
  Ni  Ni188  1  0.854909  0.486794  0.543088  1
  Ni  Ni189  1  0.657636  0.102212  0.448640  1
  Ni  Ni190  1  0.494823  0.520719  0.553908  1
  Ni  Ni191  1  0.298500  0.134782  0.459240  1
  Ni  Ni192  1  0.898474  0.827027  0.504906  1
  Ni  Ni193  1  0.341982  0.767024  0.446166  1
  Ni  Ni194  1  0.938698  0.460626  0.495141  1
  Ni  Ni195  1  0.538426  0.152976  0.541165  1
  Ni  Ni196  1  0.739262  0.590495  0.553254  1
  Ni  Ni197  1  0.544005  0.205501  0.460322  1
  Ni  Ni198  1  0.142805  0.897982  0.505716  1
  Ni  Ni199  1  0.419435  0.875061  0.615723  1
  Ni  Ni200  1  0.011910  0.567496  0.665349  1
  Ni  Ni201  1  0.818217  0.181664  0.570736  1
  Ni  Ni202  1  0.401423  0.844120  0.661358  1
  Ni  Ni203  1  0.977044  0.533725  0.709423  1
  Ni  Ni204  1  0.794414  0.153308  0.617502  1
  Ni  Ni205  1  0.031006  0.596827  0.619171  1
  Ni  Ni206  1  0.628819  0.288540  0.666180  1
  Ni  Ni207  1  0.438843  0.903280  0.568974  1
  Ni  Ni208  1  0.474409  0.739033  0.655664  1
  Ni  Ni209  1  0.071210  0.428603  0.706617  1
  Ni  Ni210  1  0.887201  0.049976  0.615216  1
  Ni  Ni211  1  0.942436  0.701226  0.620513  1
  Ni  Ni212  1  0.547426  0.392954  0.666941  1
  Ni  Ni213  1  0.345911  0.007285  0.571693  1
  Ni  Ni214  1  0.753751  0.824090  0.680231  1
  Ni  Ni215  1  0.553474  0.439759  0.588093  1
  Ni  Ni216  1  0.147542  0.130020  0.635146  1
  Ni  Ni217  1  0.678680  0.616599  0.598703  1
  Ni  Ni218  1  0.279361  0.308518  0.646439  1
  Ni  Ni219  1  0.894627  0.994683  0.690174  1
  Ni  Ni220  1  0.894137  0.773998  0.585866  1
  Ni  Ni221  1  0.489589  0.466883  0.633865  1
  Ni  Ni222  1  0.089148  0.160079  0.680115  1
  Ni  Ni223  1  0.523049  0.806321  0.582200  1
  Ni  Ni224  1  0.118406  0.499886  0.632121  1
  Ni  Ni225  1  0.715996  0.193558  0.678744  1
  Ni  Ni226  1  0.901554  0.640660  0.697215  1
  Ni  Ni227  1  0.711783  0.250095  0.603058  1
  Ni  Ni228  1  0.316186  0.942177  0.648773  1
  Ni  Ni229  1  0.381714  0.626651  0.563699  1
  Ni  Ni230  1  0.983822  0.318573  0.610133  1
  Ni  Ni231  1  0.599702  0.007956  0.654659  1
  Ni  Ni232  1  0.969180  0.749738  0.706845  1
  Ni  Ni233  1  0.849266  0.430268  0.623994  1
  Ni  Ni234  1  0.441483  0.127030  0.671356  1
  Ni  Ni235  1  0.318806  0.658285  0.610527  1
  Ni  Ni236  1  0.923254  0.348368  0.657620  1
  Ni  Ni237  1  0.724800  0.964296  0.561299  1
  Ni  Ni238  1  0.110619  0.784505  0.667413  1
  Ni  Ni239  1  0.685001  0.466062  0.713623  1
  Ni  Ni240  1  0.510319  0.092231  0.625640  1
  Ni  Ni241  1  0.586704  0.717795  0.609754  1
  Ni  Ni242  1  0.183891  0.410720  0.658494  1
  Ni  Ni243  1  0.561126  0.042584  0.698813  1
  Ni  Ni244  1  0.819457  0.725510  0.667883  1
  Ni  Ni245  1  0.653234  0.338646  0.574791  1
  Ni  Ni246  1  0.252239  0.029916  0.620172  1
  Ni  Ni247  1  0.370236  0.572736  0.647269  1
  Ni  Ni248  1  0.975165  0.263326  0.691444  1
  Ni  Ni249  1  0.781955  0.878194  0.596789  1
  Ni  Ni250  1  0.057446  0.870770  0.634755  1
  Ni  Ni251  1  0.649827  0.565070  0.684931  1
  Ni  Ni252  1  0.454919  0.178880  0.589356  1
  Ni  Ni253  1  0.277472  0.596056  0.695932  1
  Ni  Ni254  1  0.095340  0.211569  0.600131  1
  Ni  Ni255  1  0.702243  0.903809  0.645996  1
  Ni  Ni256  1  0.139608  0.844669  0.586062  1
  Ni  Ni257  1  0.731056  0.537972  0.635544  1
  Ni  Ni258  1  0.343233  0.229806  0.683018  1
  Ni  Ni259  1  0.534799  0.666974  0.691083  1
  Ni  Ni260  1  0.338812  0.282288  0.600225  1
  Ni  Ni261  1  0.950317  0.973539  0.645713  1
