# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86447646
_cell_length_b   18.60029456
_cell_length_c   52.55756640
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.72399138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8663.64107026
_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  0.029860  0.821502  0.322602  1
  Zr  Zr2  1  0.727729  0.388399  0.283879  1
  Zr  Zr3  1  0.659012  0.505146  0.364054  1
  Zr  Zr4  1  0.357423  0.079449  0.318958  1
  Zr  Zr5  1  0.209723  0.614095  0.346443  1
  Zr  Zr6  1  0.892652  0.184523  0.300455  1
  Zr  Zr7  1  0.476258  0.713061  0.339798  1
  Zr  Zr8  1  0.157051  0.286741  0.297177  1
  Zr  Zr9  1  0.631943  0.895278  0.344345  1
  Zr  Zr10  1  0.320787  0.471101  0.300280  1
  Zr  Zr11  1  0.053092  0.433580  0.343568  1
  Zr  Zr12  1  0.745681  0.011461  0.299204  1
  Zr  Zr13  1  0.302817  0.866923  0.283244  1
  Zr  Zr14  1  0.605463  0.286916  0.329472  1
  Zr  Zr15  1  0.777428  0.613548  0.314822  1
  Zr  Zr16  1  0.076022  0.038672  0.359275  1
  Zr  Zr17  1  0.639842  0.675401  0.414801  1
  Zr  Zr18  1  0.331401  0.248857  0.370153  1
  Zr  Zr19  1  0.269590  0.358446  0.454472  1
  Zr  Zr20  1  0.965281  0.930722  0.407999  1
  Zr  Zr21  1  0.823397  0.468142  0.438346  1
  Zr  Zr22  1  0.515036  0.041474  0.392969  1
  Zr  Zr23  1  0.086800  0.565818  0.431151  1
  Zr  Zr24  1  0.779657  0.137825  0.385442  1
  Zr  Zr25  1  0.244843  0.748188  0.434671  1
  Zr  Zr26  1  0.937366  0.321084  0.389329  1
  Zr  Zr27  1  0.664944  0.285261  0.434640  1
  Zr  Zr28  1  0.358174  0.859699  0.388815  1
  Zr  Zr29  1  0.918537  0.714309  0.372356  1
  Zr  Zr30  1  0.221380  0.142367  0.418850  1
  Zr  Zr31  1  0.382125  0.465410  0.405838  1
  Zr  Zr32  1  0.688527  0.891639  0.450077  1
  Zr  Zr33  1  0.250963  0.528824  0.505953  1
  Zr  Zr34  1  0.947522  0.101311  0.460345  1
  Zr  Zr35  1  0.883370  0.212212  0.545230  1
  Zr  Zr36  1  0.576422  0.784832  0.499067  1
  Zr  Zr37  1  0.435948  0.321812  0.529002  1
  Zr  Zr38  1  0.128715  0.895000  0.483157  1
  Zr  Zr39  1  0.699331  0.418757  0.521861  1
  Zr  Zr40  1  0.394098  0.991775  0.476478  1
  Zr  Zr41  1  0.856700  0.601690  0.525777  1
  Zr  Zr42  1  0.552097  0.174576  0.480221  1
  Zr  Zr43  1  0.278763  0.138841  0.525308  1
  Zr  Zr44  1  0.971152  0.711927  0.479394  1
  Zr  Zr45  1  0.527528  0.568452  0.464053  1
  Zr  Zr46  1  0.836444  0.995783  0.509124  1
  Zr  Zr47  1  0.994216  0.317593  0.496243  1
  Zr  Zr48  1  0.300559  0.745434  0.541210  1
  Zr  Zr49  1  0.860803  0.382994  0.596948  1
  Zr  Zr50  1  0.561643  0.954588  0.550908  1
  Zr  Zr51  1  0.497922  0.062396  0.633015  1
  Zr  Zr52  1  0.187754  0.637697  0.590405  1
  Zr  Zr53  1  0.050957  0.175983  0.621265  1
  Zr  Zr54  1  0.741648  0.747267  0.573956  1
  Zr  Zr55  1  0.314254  0.272207  0.611499  1
  Zr  Zr56  1  0.005934  0.844953  0.566931  1
  Zr  Zr57  1  0.469002  0.453381  0.616552  1
  Zr  Zr58  1  0.163987  0.027838  0.570510  1
  Zr  Zr59  1  0.891818  0.992688  0.616525  1
  Zr  Zr60  1  0.582625  0.565274  0.570488  1
  Zr  Zr61  1  0.139008  0.422229  0.555120  1
  Zr  Zr62  1  0.445838  0.846158  0.599225  1
  Zr  Zr63  1  0.610602  0.171567  0.586453  1
  Zr  Zr64  1  0.909265  0.599033  0.633281  1
  Zr  Zr65  1  0.459471  0.231972  0.686517  1
  Zr  Zr66  1  0.169203  0.808843  0.641684  1
  Zr  Zr67  1  0.096995  0.928063  0.720540  1
  Zr  Zr68  1  0.797074  0.491116  0.683092  1
  Zr  Zr69  1  0.654507  0.027398  0.709665  1
  Zr  Zr70  1  0.351822  0.600063  0.665500  1
  Zr  Zr71  1  0.938168  0.124906  0.705627  1
  Zr  Zr72  1  0.619892  0.698462  0.658719  1
  Zr  Zr73  1  0.082961  0.299634  0.706087  1
  Zr  Zr74  1  0.776870  0.878910  0.661231  1
  Zr  Zr75  1  0.507346  0.839137  0.704619  1
  Zr  Zr76  1  0.194136  0.417506  0.660978  1
  Zr  Zr77  1  0.748928  0.275999  0.646035  1
  Zr  Zr78  1  0.050328  0.697753  0.689395  1
  Zr  Zr79  1  0.227622  0.025558  0.676862  1
  Zr  Zr80  1  0.521820  0.444482  0.722136  1
  Ni  Ni81  1  0.191487  0.950534  0.320116  1
  Ni  Ni82  1  0.862712  0.517026  0.275866  1
  Ni  Ni83  1  0.011435  0.934442  0.285118  1
  Ni  Ni84  1  0.312870  0.356550  0.331624  1
  Ni  Ni85  1  0.054255  0.545351  0.309410  1
  Ni  Ni86  1  0.367420  0.972089  0.355364  1
  Ni  Ni87  1  0.674087  0.642829  0.364623  1
  Ni  Ni88  1  0.370092  0.218070  0.317637  1
  Ni  Ni89  1  0.024501  0.684233  0.318803  1
  Ni  Ni90  1  0.627943  0.244499  0.282250  1
  Ni  Ni91  1  0.778387  0.869690  0.301156  1
  Ni  Ni92  1  0.089219  0.289540  0.346361  1
  Ni  Ni93  1  0.296536  0.611526  0.298449  1
  Ni  Ni94  1  0.602934  0.036399  0.343239  1
  Ni  Ni95  1  0.193291  0.758873  0.359288  1
  Ni  Ni96  1  0.889502  0.327707  0.317585  1
  Ni  Ni97  1  0.347472  0.847649  0.335059  1
  Ni  Ni98  1  0.036314  0.419570  0.292616  1
  Ni  Ni99  1  0.339609  0.482223  0.351332  1
  Ni  Ni100  1  0.035994  0.056061  0.305758  1
  Ni  Ni101  1  0.535827  0.669707  0.292689  1
  Ni  Ni102  1  0.839357  0.094411  0.338021  1
  Ni  Ni103  1  0.545882  0.804652  0.303078  1
  Ni  Ni104  1  0.849698  0.226956  0.348380  1
  Ni  Ni105  1  0.933577  0.569111  0.354585  1
  Ni  Ni106  1  0.625358  0.142692  0.312323  1
  Ni  Ni107  1  0.755412  0.759198  0.333873  1
  Ni  Ni108  1  0.438367  0.338277  0.290169  1
  Ni  Ni109  1  0.276874  0.741094  0.306900  1
  Ni  Ni110  1  0.559163  0.162997  0.355297  1
  Ni  Ni111  1  0.794300  0.738854  0.290503  1
  Ni  Ni112  1  0.113844  0.165553  0.332800  1
  Ni  Ni113  1  0.812099  0.472229  0.319681  1
  Ni  Ni114  1  0.123007  0.896231  0.363168  1
  Ni  Ni115  1  0.253281  0.009307  0.278634  1
  Ni  Ni116  1  0.558918  0.429516  0.323713  1
  Ni  Ni117  1  0.593047  0.524499  0.289595  1
  Ni  Ni118  1  0.914152  0.952275  0.332324  1
  Ni  Ni119  1  0.472715  0.949307  0.308115  1
  Ni  Ni120  1  0.768831  0.375765  0.354592  1
  Ni  Ni121  1  0.500070  0.571215  0.329416  1
  Ni  Ni122  1  0.191869  0.147909  0.285174  1
  Ni  Ni123  1  0.803576  0.802991  0.411232  1
  Ni  Ni124  1  0.493812  0.376862  0.367217  1
  Ni  Ni125  1  0.623253  0.782227  0.376701  1
  Ni  Ni126  1  0.929464  0.208792  0.421901  1
  Ni  Ni127  1  0.674224  0.397557  0.402195  1
  Ni  Ni128  1  0.980394  0.824411  0.446707  1
  Ni  Ni129  1  0.284672  0.495716  0.456272  1
  Ni  Ni130  1  0.981892  0.068787  0.410300  1
  Ni  Ni131  1  0.623327  0.537835  0.413696  1
  Ni  Ni132  1  0.311251  0.111094  0.368340  1
  Ni  Ni133  1  0.393574  0.716845  0.390610  1
  Ni  Ni134  1  0.701197  0.142241  0.435935  1
  Ni  Ni135  1  0.905147  0.463535  0.388161  1
  Ni  Ni136  1  0.210095  0.891160  0.433107  1
  Ni  Ni137  1  0.803329  0.611209  0.450628  1
  Ni  Ni138  1  0.497611  0.184697  0.406289  1
  Ni  Ni139  1  0.960308  0.699338  0.427021  1
  Ni  Ni140  1  0.654217  0.271853  0.382399  1
  Ni  Ni141  1  0.949712  0.333997  0.441874  1
  Ni  Ni142  1  0.645259  0.907447  0.396249  1
  Ni  Ni143  1  0.142144  0.523224  0.383910  1
  Ni  Ni144  1  0.447980  0.948930  0.428998  1
  Ni  Ni145  1  0.156981  0.658288  0.394220  1
  Ni  Ni146  1  0.462631  0.084475  0.440291  1
  Ni  Ni147  1  0.544632  0.422712  0.445614  1
  Ni  Ni148  1  0.238139  0.996321  0.399405  1
  Ni  Ni149  1  0.365152  0.611326  0.424108  1
  Ni  Ni150  1  0.056902  0.183419  0.378685  1
  Ni  Ni151  1  0.874417  0.590619  0.399290  1
  Ni  Ni152  1  0.184737  0.017904  0.444299  1
  Ni  Ni153  1  0.421142  0.590030  0.379569  1
  Ni  Ni154  1  0.729624  0.015790  0.424301  1
  Ni  Ni155  1  0.428569  0.323065  0.410293  1
  Ni  Ni156  1  0.735134  0.749696  0.454901  1
  Ni  Ni157  1  0.871061  0.855769  0.367407  1
  Ni  Ni158  1  0.174293  0.284273  0.414033  1
  Ni  Ni159  1  0.218711  0.379732  0.379328  1
  Ni  Ni160  1  0.525970  0.804990  0.423722  1
  Ni  Ni161  1  0.079719  0.801981  0.399422  1
  Ni  Ni162  1  0.383358  0.229068  0.445670  1
  Ni  Ni163  1  0.105492  0.422797  0.418918  1
  Ni  Ni164  1  0.802734  0.994785  0.372934  1
  Ni  Ni165  1  0.413591  0.656861  0.502601  1
  Ni  Ni166  1  0.107787  0.230175  0.457440  1
  Ni  Ni167  1  0.235685  0.635654  0.467419  1
  Ni  Ni168  1  0.544373  0.062273  0.512567  1
  Ni  Ni169  1  0.286547  0.251091  0.492884  1
  Ni  Ni170  1  0.591875  0.677966  0.537685  1
  Ni  Ni171  1  0.897446  0.349591  0.546945  1
  Ni  Ni172  1  0.594905  0.922330  0.501079  1
  Ni  Ni173  1  0.234724  0.391045  0.504417  1
  Ni  Ni174  1  0.930795  0.964241  0.457973  1
  Ni  Ni175  1  0.005207  0.569147  0.481324  1
  Ni  Ni176  1  0.315480  0.995919  0.526763  1
  Ni  Ni177  1  0.515878  0.317532  0.478902  1
  Ni  Ni178  1  0.822442  0.744397  0.523808  1
  Ni  Ni179  1  0.414777  0.464879  0.541586  1
  Ni  Ni180  1  0.112595  0.037816  0.496718  1
  Ni  Ni181  1  0.571641  0.552802  0.518263  1
  Ni  Ni182  1  0.266601  0.125905  0.472903  1
  Ni  Ni183  1  0.564290  0.187357  0.532540  1
  Ni  Ni184  1  0.256124  0.760916  0.486939  1
  Ni  Ni185  1  0.754156  0.375427  0.474637  1
  Ni  Ni186  1  0.059996  0.802205  0.519529  1
  Ni  Ni187  1  0.767758  0.511373  0.485606  1
  Ni  Ni188  1  0.076643  0.937580  0.530710  1
  Ni  Ni189  1  0.157597  0.276576  0.536367  1
  Ni  Ni190  1  0.850901  0.849083  0.489945  1
  Ni  Ni191  1  0.977086  0.464329  0.515119  1
  Ni  Ni192  1  0.672658  0.036944  0.469125  1
  Ni  Ni193  1  0.486929  0.444331  0.490258  1
  Ni  Ni194  1  0.798199  0.871504  0.534627  1
  Ni  Ni195  1  0.032464  0.441880  0.470500  1
  Ni  Ni196  1  0.340693  0.869500  0.515047  1
  Ni  Ni197  1  0.041766  0.175853  0.500666  1
  Ni  Ni198  1  0.346098  0.603356  0.546143  1
  Ni  Ni199  1  0.481291  0.710364  0.459054  1
  Ni  Ni200  1  0.789048  0.137643  0.504826  1
  Ni  Ni201  1  0.832526  0.230893  0.469255  1
  Ni  Ni202  1  0.136983  0.658273  0.514687  1
  Ni  Ni203  1  0.690704  0.655326  0.490490  1
  Ni  Ni204  1  -0.002075  0.082879  0.536176  1
  Ni  Ni205  1  0.718886  0.275533  0.508988  1
  Ni  Ni206  1  0.412092  0.849028  0.463439  1
  Ni  Ni207  1  0.023454  0.510416  0.594137  1
  Ni  Ni208  1  0.724285  0.083261  0.547965  1
  Ni  Ni209  1  0.847259  0.489172  0.558434  1
  Ni  Ni210  1  0.154538  0.915415  0.603182  1
  Ni  Ni211  1  0.902264  0.104602  0.583845  1
  Ni  Ni212  1  0.203796  0.531004  0.628658  1
  Ni  Ni213  1  0.518620  0.201153  0.637094  1
  Ni  Ni214  1  0.203330  0.774846  0.591937  1
  Ni  Ni215  1  0.849949  0.244291  0.595554  1
  Ni  Ni216  1  0.544895  0.817774  0.548635  1
  Ni  Ni217  1  0.616766  0.422640  0.571899  1
  Ni  Ni218  1  0.924288  0.849581  0.617008  1
  Ni  Ni219  1  0.128335  0.171584  0.569730  1
  Ni  Ni220  1  0.434267  0.596012  0.614656  1
  Ni  Ni221  1  0.021378  0.319320  0.631864  1
  Ni  Ni222  1  0.724303  0.890075  0.586498  1
  Ni  Ni223  1  0.181900  0.406049  0.609078  1
  Ni  Ni224  1  0.881027  0.979057  0.563609  1
  Ni  Ni225  1  0.174866  0.040598  0.622836  1
  Ni  Ni226  1  0.867548  0.613741  0.578206  1
  Ni  Ni227  1  0.368339  0.228830  0.564827  1
  Ni  Ni228  1  0.670977  0.654443  0.611010  1
  Ni  Ni229  1  0.379161  0.365338  0.576120  1
  Ni  Ni230  1  0.686722  0.789352  0.621195  1
  Ni  Ni231  1  0.773831  0.130480  0.626961  1
  Ni  Ni232  1  0.462743  0.701711  0.581118  1
  Ni  Ni233  1  0.589978  0.317316  0.605772  1
  Ni  Ni234  1  0.285346  0.891001  0.559883  1
  Ni  Ni235  1  0.097395  0.298396  0.580861  1
  Ni  Ni236  1  0.406523  0.722607  0.625761  1
  Ni  Ni237  1  0.645226  0.295471  0.561166  1
  Ni  Ni238  1  0.952369  0.722217  0.606008  1
  Ni  Ni239  1  0.657447  0.028532  0.590918  1
  Ni  Ni240  1  0.954695  0.457470  0.637960  1
  Ni  Ni241  1  0.092549  0.563741  0.550313  1
  Ni  Ni242  1  0.400197  0.988129  0.594410  1
  Ni  Ni243  1  0.448417  0.084098  0.560023  1
  Ni  Ni244  1  0.747271  0.511504  0.605834  1
  Ni  Ni245  1  0.301637  0.508371  0.581584  1
  Ni  Ni246  1  0.609955  0.932590  0.625764  1
  Ni  Ni247  1  0.330753  0.128417  0.598627  1
  Ni  Ni248  1  0.024741  0.702173  0.554583  1
  Ni  Ni249  1  0.634017  0.361045  0.685290  1
  Ni  Ni250  1  0.335765  0.936218  0.638094  1
  Ni  Ni251  1  0.458268  0.340342  0.649931  1
  Ni  Ni252  1  0.774860  0.767574  0.695907  1
  Ni  Ni253  1  0.516313  0.955084  0.673867  1
  Ni  Ni254  1  0.814218  0.377784  0.720287  1
  Ni  Ni255  1  0.325891  0.093737  0.719994  1
  Ni  Ni256  1  0.800377  0.628425  0.687378  1
  Ni  Ni257  1  0.477077  0.096126  0.681517  1
  Ni  Ni258  1  0.154155  0.670629  0.640377  1
  Ni  Ni259  1  0.219954  0.276164  0.660964  1
  Ni  Ni260  1  0.534538  0.699526  0.706769  1
  Ni  Ni261  1  0.732717  0.025732  0.659342  1
  Ni  Ni262  1  0.048735  0.442437  0.704574  1
  Ni  Ni263  1  0.618982  0.163395  0.719671  1
  Ni  Ni264  1  0.328596  0.741316  0.676009  1
  Ni  Ni265  1  0.791061  0.255492  0.700456  1
  Ni  Ni266  1  0.489279  0.830208  0.653711  1
  Ni  Ni267  1  0.785805  0.895386  0.712146  1
  Ni  Ni268  1  0.479086  0.464764  0.670276  1
  Ni  Ni269  1  0.983338  0.085548  0.657324  1
  Ni  Ni270  1  0.280219  0.508532  0.702204  1
  Ni  Ni271  1  0.980326  0.220031  0.667362  1
  Ni  Ni272  1  0.291250  0.644124  0.712472  1
  Ni  Ni273  1  0.384501  0.965904  0.715844  1
  Ni  Ni274  1  0.071754  0.552884  0.671539  1
  Ni  Ni275  1  0.191163  0.168086  0.689792  1
  Ni  Ni276  1  0.894975  0.744606  0.650637  1
  Ni  Ni277  1  0.723625  0.149743  0.672674  1
  Ni  Ni278  1  0.033352  0.574456  0.714876  1
  Ni  Ni279  1  0.275988  0.148353  0.648749  1
  Ni  Ni280  1  0.549047  0.570448  0.698660  1
  Ni  Ni281  1  0.269170  0.882085  0.681388  1
  Ni  Ni282  1  0.571409  0.302629  0.726542  1
  Ni  Ni283  1  0.703670  0.416715  0.642326  1
  Ni  Ni284  1  0.013574  0.841162  0.686051  1
  Ni  Ni285  1  0.060792  0.937999  0.651239  1
  Ni  Ni286  1  0.352916  0.363395  0.696946  1
  Ni  Ni287  1  0.912575  0.360257  0.673334  1
  Ni  Ni288  1  0.230007  0.789724  0.715674  1
  Ni  Ni289  1  0.927657  0.985333  0.687103  1
  Ni  Ni290  1  0.634607  0.553622  0.646203  1
