# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50986550
_cell_length_b   22.68644872
_cell_length_c   56.27047517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.61824458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8254.96701145
_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  0.112038  0.518729  0.416960  1
  Zr  Zr2  1  0.946365  0.829829  0.370025  1
  Zr  Zr3  1  0.767549  0.142141  0.320170  1
  Zr  Zr4  1  0.877408  0.192296  0.391001  1
  Zr  Zr5  1  0.701687  0.501656  0.344826  1
  Zr  Zr6  1  0.535892  0.809141  0.299245  1
  Zr  Zr7  1  0.545968  0.305914  0.348848  1
  Zr  Zr8  1  0.403290  0.620518  0.301105  1
  Zr  Zr9  1  0.745594  0.995962  0.395843  1
  Zr  Zr10  1  0.903450  0.342207  0.315238  1
  Zr  Zr11  1  0.271329  0.717721  0.412642  1
  Zr  Zr12  1  0.105305  0.028367  0.361482  1
  Zr  Zr13  1  0.752731  0.376818  0.406501  1
  Zr  Zr14  1  0.580504  0.686627  0.359351  1
  Zr  Zr15  1  0.406500  0.997913  0.311899  1
  Zr  Zr16  1  0.236009  0.334302  0.401802  1
  Zr  Zr17  1  0.061018  0.645651  0.354359  1
  Zr  Zr18  1  0.892240  0.956020  0.309151  1
  Zr  Zr19  1  0.264995  0.187153  0.322464  1
  Zr  Zr20  1  0.622053  0.562591  0.419306  1
  Zr  Zr21  1  0.456163  0.872963  0.371937  1
  Zr  Zr22  1  0.187812  0.460687  0.341738  1
  Zr  Zr23  1  0.024288  0.771672  0.296462  1
  Zr  Zr24  1  0.369578  0.148966  0.389034  1
  Zr  Zr25  1  0.645437  0.586365  0.560035  1
  Zr  Zr26  1  0.474750  0.898099  0.512902  1
  Zr  Zr27  1  0.292643  0.207636  0.464912  1
  Zr  Zr28  1  0.417268  0.263295  0.534636  1
  Zr  Zr29  1  0.234839  0.572802  0.486582  1
  Zr  Zr30  1  0.064501  0.884461  0.439434  1
  Zr  Zr31  1  0.085872  0.373545  0.491692  1
  Zr  Zr32  1  0.907826  0.684995  0.444191  1
  Zr  Zr33  1  0.265301  0.064494  0.539891  1
  Zr  Zr34  1  0.444274  0.406360  0.459600  1
  Zr  Zr35  1  0.801905  0.785887  0.555275  1
  Zr  Zr36  1  0.624010  0.097328  0.507846  1
  Zr  Zr37  1  0.289738  0.446460  0.549707  1
  Zr  Zr38  1  0.113958  0.757089  0.501886  1
  Zr  Zr39  1  0.936542  0.067954  0.454015  1
  Zr  Zr40  1  0.773485  0.402870  0.545525  1
  Zr  Zr41  1  0.595786  0.713845  0.497577  1
  Zr  Zr42  1  0.420080  0.024392  0.449784  1
  Zr  Zr43  1  0.801926  0.252095  0.466473  1
  Zr  Zr44  1  0.156529  0.631243  0.561724  1
  Zr  Zr45  1  0.984512  0.942624  0.514641  1
  Zr  Zr46  1  0.725062  0.528252  0.484841  1
  Zr  Zr47  1  0.553405  0.839646  0.437713  1
  Zr  Zr48  1  0.907988  0.218768  0.533075  1
  Zr  Zr49  1  0.174361  0.661370  0.700226  1
  Zr  Zr50  1  0.008784  0.968939  0.655025  1
  Zr  Zr51  1  0.832388  0.278377  0.608602  1
  Zr  Zr52  1  0.943644  0.329292  0.678494  1
  Zr  Zr53  1  0.763715  0.641156  0.629369  1
  Zr  Zr54  1  0.597529  0.952206  0.582517  1
  Zr  Zr55  1  0.607212  0.442611  0.638207  1
  Zr  Zr56  1  0.438510  0.753236  0.586821  1
  Zr  Zr57  1  0.805261  0.129154  0.684217  1
  Zr  Zr58  1  0.965189  0.475014  0.603503  1
  Zr  Zr59  1  0.304967  0.849958  0.698359  1
  Zr  Zr60  1  0.162781  0.165160  0.650893  1
  Zr  Zr61  1  0.817680  0.514655  0.690233  1
  Zr  Zr62  1  0.648347  0.825131  0.645085  1
  Zr  Zr63  1  0.473420  0.136549  0.597659  1
  Zr  Zr64  1  0.306494  0.472607  0.687557  1
  Zr  Zr65  1  0.129418  0.784105  0.640085  1
  Zr  Zr66  1  0.956730  0.093924  0.593046  1
  Zr  Zr67  1  0.340848  0.321937  0.610620  1
  Zr  Zr68  1  0.686014  0.699160  0.702967  1
  Zr  Zr69  1  0.522015  0.010344  0.657550  1
  Zr  Zr70  1  0.253921  0.597872  0.627538  1
  Zr  Zr71  1  0.087334  0.908361  0.580239  1
  Zr  Zr72  1  0.445504  0.283640  0.676634  1
  Ni  Ni73  1  0.060208  0.136358  0.282810  1
  Ni  Ni74  1  0.404038  0.511635  0.380016  1
  Ni  Ni75  1  0.242149  0.820686  0.332516  1
  Ni  Ni76  1  0.434963  0.444620  0.414579  1
  Ni  Ni77  1  0.266310  0.754874  0.367468  1
  Ni  Ni78  1  0.087622  0.069118  0.316477  1
  Ni  Ni79  1  0.553971  0.266909  0.393571  1
  Ni  Ni80  1  0.376724  0.578955  0.345355  1
  Ni  Ni81  1  0.212598  0.888887  0.298883  1
  Ni  Ni82  1  0.843416  0.454061  0.306017  1
  Ni  Ni83  1  0.221622  0.826067  0.405779  1
  Ni  Ni84  1  0.035652  0.135867  0.355992  1
  Ni  Ni85  1  0.596689  0.196930  0.354790  1
  Ni  Ni86  1  0.444758  0.507011  0.308514  1
  Ni  Ni87  1  0.786710  0.887117  0.404081  1
  Ni  Ni88  1  0.564387  0.348463  0.290896  1
  Ni  Ni89  1  0.922218  0.720311  0.386445  1
  Ni  Ni90  1  0.748489  0.032425  0.337024  1
  Ni  Ni91  1  0.897898  0.301539  0.375078  1
  Ni  Ni92  1  0.724622  0.607969  0.329688  1
  Ni  Ni93  1  0.082965  0.993116  0.422954  1
  Ni  Ni94  1  0.621376  0.244953  0.309284  1
  Ni  Ni95  1  0.976940  0.619769  0.403847  1
  Ni  Ni96  1  0.811451  0.930372  0.356130  1
  Ni  Ni97  1  0.976492  0.238888  0.293904  1
  Ni  Ni98  1  0.333784  0.615254  0.388976  1
  Ni  Ni99  1  0.169283  0.922713  0.341189  1
  Ni  Ni100  1  0.475943  0.407223  0.372457  1
  Ni  Ni101  1  0.307037  0.716650  0.324668  1
  Ni  Ni102  1  0.661597  0.095743  0.419428  1
  Ni  Ni103  1  0.175241  0.347741  0.350846  1
  Ni  Ni104  1  0.993725  0.655875  0.305444  1
  Ni  Ni105  1  0.361566  0.035589  0.399070  1
  Ni  Ni106  1  0.275980  0.301738  0.313610  1
  Ni  Ni107  1  0.636822  0.675580  0.409058  1
  Ni  Ni108  1  0.470558  0.985953  0.360393  1
  Ni  Ni109  1  0.224470  0.242888  0.368195  1
  Ni  Ni110  1  0.057363  0.554442  0.320416  1
  Ni  Ni111  1  0.416624  0.933520  0.415936  1
  Ni  Ni112  1  0.234872  0.406087  0.299782  1
  Ni  Ni113  1  0.594419  0.779407  0.392721  1
  Ni  Ni114  1  0.420216  0.091509  0.341443  1
  Ni  Ni115  1  0.950195  0.244886  0.338819  1
  Ni  Ni116  1  0.764964  0.560694  0.292555  1
  Ni  Ni117  1  0.137673  0.933873  0.387271  1
  Ni  Ni118  1  0.514986  0.401434  0.326877  1
  Ni  Ni119  1  0.868209  0.781080  0.421520  1
  Ni  Ni120  1  0.680292  0.090335  0.372638  1
  Ni  Ni121  1  0.224613  0.228300  0.418064  1
  Ni  Ni122  1  0.044467  0.540180  0.370605  1
  Ni  Ni123  1  0.877433  0.849617  0.323935  1
  Ni  Ni124  1  0.766539  0.482600  0.390684  1
  Ni  Ni125  1  0.599008  0.792187  0.343312  1
  Ni  Ni126  1  0.421428  0.106978  0.294260  1
  Ni  Ni127  1  0.108311  0.431262  0.386311  1
  Ni  Ni128  1  0.942664  0.743346  0.339418  1
  Ni  Ni129  1  0.757026  0.054358  0.290614  1
  Ni  Ni130  1  0.880206  0.280573  0.422005  1
  Ni  Ni131  1  0.702477  0.590880  0.375474  1
  Ni  Ni132  1  0.536849  0.901940  0.327379  1
  Ni  Ni133  1  0.839305  0.401321  0.357302  1
  Ni  Ni134  1  0.681410  0.708557  0.312495  1
  Ni  Ni135  1  0.021824  0.092604  0.404111  1
  Ni  Ni136  1  0.585630  0.199667  0.427784  1
  Ni  Ni137  1  0.941339  0.579488  0.523265  1
  Ni  Ni138  1  0.768388  0.891419  0.476181  1
  Ni  Ni139  1  0.971160  0.512886  0.557822  1
  Ni  Ni140  1  0.797824  0.824077  0.510290  1
  Ni  Ni141  1  0.617750  0.133999  0.462265  1
  Ni  Ni142  1  0.092409  0.336803  0.537288  1
  Ni  Ni143  1  0.911868  0.646843  0.489175  1
  Ni  Ni144  1  0.738745  0.958079  0.441617  1
  Ni  Ni145  1  0.389703  0.514397  0.452865  1
  Ni  Ni146  1  0.753997  0.894717  0.548348  1
  Ni  Ni147  1  0.573525  0.205324  0.500539  1
  Ni  Ni148  1  0.136398  0.265556  0.499015  1
  Ni  Ni149  1  0.955705  0.576149  0.451150  1
  Ni  Ni150  1  0.319567  0.956457  0.546641  1
  Ni  Ni151  1  0.094350  0.409229  0.433533  1
  Ni  Ni152  1  0.454635  0.788610  0.529084  1
  Ni  Ni153  1  0.276910  0.098800  0.481476  1
  Ni  Ni154  1  0.433060  0.372103  0.518056  1
  Ni  Ni155  1  0.255079  0.682314  0.470389  1
  Ni  Ni156  1  0.614939  0.061669  0.565942  1
  Ni  Ni157  1  0.153947  0.308245  0.451106  1
  Ni  Ni158  1  0.510894  0.687484  0.546716  1
  Ni  Ni159  1  0.337626  0.998660  0.499466  1
  Ni  Ni160  1  0.511382  0.303910  0.436201  1
  Ni  Ni161  1  0.868632  0.683814  0.531547  1
  Ni  Ni162  1  0.694222  0.995765  0.484160  1
  Ni  Ni163  1  0.015510  0.475107  0.515331  1
  Ni  Ni164  1  0.841136  0.787081  0.467910  1
  Ni  Ni165  1  0.198302  0.166878  0.563346  1
  Ni  Ni166  1  0.715076  0.415272  0.495058  1
  Ni  Ni167  1  0.540070  0.726613  0.447817  1
  Ni  Ni168  1  0.897249  0.105942  0.543131  1
  Ni  Ni169  1  0.812436  0.364941  0.456405  1
  Ni  Ni170  1  0.169704  0.744262  0.551643  1
  Ni  Ni171  1  0.994610  0.055607  0.504443  1
  Ni  Ni172  1  0.765225  0.312078  0.511646  1
  Ni  Ni173  1  0.584986  0.622364  0.463847  1
  Ni  Ni174  1  0.945054  1.002157  0.559686  1
  Ni  Ni175  1  0.764426  0.468738  0.439793  1
  Ni  Ni176  1  0.124604  0.848526  0.535645  1
  Ni  Ni177  1  0.944778  0.158786  0.487895  1
  Ni  Ni178  1  0.487937  0.311059  0.482660  1
  Ni  Ni179  1  0.307907  0.621321  0.435254  1
  Ni  Ni180  1  0.671170  1.001559  0.530575  1
  Ni  Ni181  1  0.038259  0.469276  0.468918  1
  Ni  Ni182  1  0.401633  0.849624  0.564231  1
  Ni  Ni183  1  0.221989  0.159847  0.516875  1
  Ni  Ni184  1  0.763108  0.298330  0.562124  1
  Ni  Ni185  1  0.580500  0.607801  0.513698  1
  Ni  Ni186  1  0.408012  0.919480  0.466393  1
  Ni  Ni187  1  0.301883  0.551383  0.533073  1
  Ni  Ni188  1  0.129203  0.863110  0.485765  1
  Ni  Ni189  1  0.946845  0.172485  0.437400  1
  Ni  Ni190  1  0.646540  0.498509  0.529127  1
  Ni  Ni191  1  0.472250  0.810544  0.481925  1
  Ni  Ni192  1  0.291861  0.119674  0.433734  1
  Ni  Ni193  1  0.418330  0.351203  0.565885  1
  Ni  Ni194  1  0.237500  0.660396  0.517534  1
  Ni  Ni195  1  0.063205  0.972305  0.470354  1
  Ni  Ni196  1  0.372028  0.472231  0.499999  1
  Ni  Ni197  1  0.198959  0.783406  0.452742  1
  Ni  Ni198  1  0.555685  0.162670  0.548394  1
  Ni  Ni199  1  0.124295  0.271117  0.571800  1
  Ni  Ni200  1  0.467791  0.650168  0.666943  1
  Ni  Ni201  1  0.305293  0.959320  0.619492  1
  Ni  Ni202  1  0.497791  0.581903  0.700565  1
  Ni  Ni203  1  0.332607  0.891790  0.654102  1
  Ni  Ni204  1  0.155703  0.203831  0.606007  1
  Ni  Ni205  1  0.623866  0.400144  0.683618  1
  Ni  Ni206  1  0.443616  0.715924  0.631980  1
  Ni  Ni207  1  0.274212  0.026282  0.584951  1
  Ni  Ni208  1  0.923616  0.583790  0.595379  1
  Ni  Ni209  1  0.273611  0.963588  0.691028  1
  Ni  Ni210  1  0.115176  0.274035  0.644743  1
  Ni  Ni211  1  0.672477  0.334886  0.643435  1
  Ni  Ni212  1  0.487910  0.644842  0.593656  1
  Ni  Ni213  1  0.858533  0.017250  0.693210  1
  Ni  Ni214  1  0.627097  0.477622  0.576533  1
  Ni  Ni215  1  0.984380  0.862229  0.669675  1
  Ni  Ni216  1  0.811327  0.168980  0.624405  1
  Ni  Ni217  1  0.963012  0.438753  0.662401  1
  Ni  Ni218  1  0.787669  0.750641  0.612986  1
  Ni  Ni219  1  0.146048  0.124472  0.708451  1
  Ni  Ni220  1  0.688960  0.378214  0.595493  1
  Ni  Ni221  1  0.028473  0.761799  0.686950  1
  Ni  Ni222  1  0.870103  0.069364  0.642297  1
  Ni  Ni223  1  0.048655  0.375053  0.580081  1
  Ni  Ni224  1  0.403099  0.754163  0.674813  1
  Ni  Ni225  1  0.233258  0.063832  0.627146  1
  Ni  Ni226  1  0.541257  0.548417  0.658216  1
  Ni  Ni227  1  0.375738  0.855698  0.610497  1
  Ni  Ni228  1  0.735274  0.232232  0.705128  1
  Ni  Ni229  1  0.240399  0.484897  0.639018  1
  Ni  Ni230  1  0.072945  0.795336  0.590383  1
  Ni  Ni231  1  0.434624  0.170185  0.685821  1
  Ni  Ni232  1  0.349114  0.435194  0.600469  1
  Ni  Ni233  1  0.716647  0.815173  0.694157  1
  Ni  Ni234  1  0.533730  0.123335  0.648751  1
  Ni  Ni235  1  0.291823  0.379478  0.657798  1
  Ni  Ni236  1  0.115636  0.691467  0.606687  1
  Ni  Ni237  1  0.475021  0.065722  0.699564  1
  Ni  Ni238  1  0.293664  0.537326  0.583519  1
  Ni  Ni239  1  0.650672  0.916202  0.679020  1
  Ni  Ni240  1  0.484824  0.227792  0.631353  1
  Ni  Ni241  1  0.028801  0.380482  0.626874  1
  Ni  Ni242  1  0.841454  0.689763  0.577935  1
  Ni  Ni243  1  0.193301  0.069297  0.672816  1
  Ni  Ni244  1  0.572657  0.536958  0.612177  1
  Ni  Ni245  1  0.947026  0.911549  0.706377  1
  Ni  Ni246  1  0.760818  0.226382  0.660485  1
  Ni  Ni247  1  0.279015  0.362537  0.703915  1
  Ni  Ni248  1  0.111111  0.678521  0.656139  1
  Ni  Ni249  1  0.942882  0.988300  0.609016  1
  Ni  Ni250  1  0.832871  0.621238  0.675512  1
  Ni  Ni251  1  0.665262  0.930673  0.628933  1
  Ni  Ni252  1  0.485192  0.242551  0.581464  1
  Ni  Ni253  1  0.173491  0.568490  0.672135  1
  Ni  Ni254  1  0.007084  0.880025  0.624050  1
  Ni  Ni255  1  0.829635  0.190174  0.577496  1
  Ni  Ni256  1  0.961589  0.418164  0.707905  1
  Ni  Ni257  1  0.767160  0.727557  0.659996  1
  Ni  Ni258  1  0.600908  0.039747  0.613120  1
  Ni  Ni259  1  0.899057  0.540709  0.643263  1
  Ni  Ni260  1  0.732604  0.851184  0.595631  1
  Ni  Ni261  1  0.089849  0.227799  0.690190  1
