# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48326178
_cell_length_b   26.67193916
_cell_length_c   47.72007940
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.64563280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8243.01625508
_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  0.690655  0.253187  0.375116  1
  Zr  Zr2  1  0.137577  0.975766  0.314717  1
  Zr  Zr3  1  0.278880  0.553358  0.416825  1
  Zr  Zr4  1  0.541384  0.118539  0.334862  1
  Zr  Zr5  1  0.998361  0.819098  0.292939  1
  Zr  Zr6  1  0.127108  0.403146  0.391833  1
  Zr  Zr7  1  0.830816  0.232905  0.288672  1
  Zr  Zr8  1  0.092384  0.800384  0.382079  1
  Zr  Zr9  1  0.490364  0.503561  0.340612  1
  Zr  Zr10  1  0.306436  0.151309  0.427275  1
  Zr  Zr11  1  0.755202  0.872202  0.366097  1
  Zr  Zr12  1  0.147168  0.573166  0.321508  1
  Zr  Zr13  1  0.285496  0.378758  0.302574  1
  Zr  Zr14  1  0.450936  0.981189  0.385360  1
  Zr  Zr15  1  0.877794  0.682709  0.343953  1
  Zr  Zr16  1  0.980535  0.991980  0.404525  1
  Zr  Zr17  1  0.393385  0.691139  0.362890  1
  Zr  Zr18  1  0.818127  0.389146  0.320360  1
  Zr  Zr19  1  0.179017  0.251064  0.357302  1
  Zr  Zr20  1  0.629843  0.965339  0.298145  1
  Zr  Zr21  1  0.773085  0.549889  0.397503  1
  Zr  Zr22  1  0.065832  0.123963  0.351784  1
  Zr  Zr23  1  0.508396  0.824401  0.310285  1
  Zr  Zr24  1  0.632105  0.406359  0.411525  1
  Zr  Zr25  1  0.439357  0.137773  0.516990  1
  Zr  Zr26  1  0.869002  0.854241  0.458235  1
  Zr  Zr27  1  0.018984  0.437494  0.559999  1
  Zr  Zr28  1  0.293964  1.002108  0.476644  1
  Zr  Zr29  1  0.715304  0.702709  0.433334  1
  Zr  Zr30  1  0.863903  0.285596  0.535444  1
  Zr  Zr31  1  0.677398  0.104066  0.423839  1
  Zr  Zr32  1  0.829890  0.684897  0.525712  1
  Zr  Zr33  1  0.239963  0.384069  0.483723  1
  Zr  Zr34  1  0.056047  0.035826  0.569818  1
  Zr  Zr35  1  0.494001  0.755802  0.509849  1
  Zr  Zr36  1  0.904822  0.455178  0.467768  1
  Zr  Zr37  1  0.011406  0.264469  0.445310  1
  Zr  Zr38  1  0.195980  0.864717  0.529079  1
  Zr  Zr39  1  0.607559  0.565046  0.487005  1
  Zr  Zr40  1  0.722461  0.875469  0.548347  1
  Zr  Zr41  1  0.126857  0.575122  0.506407  1
  Zr  Zr42  1  0.537532  0.275214  0.464579  1
  Zr  Zr43  1  0.919218  0.133375  0.500298  1
  Zr  Zr44  1  0.362116  0.850029  0.439123  1
  Zr  Zr45  1  0.511014  0.433778  0.540407  1
  Zr  Zr46  1  0.814290  0.006507  0.493346  1
  Zr  Zr47  1  0.223063  0.706342  0.452930  1
  Zr  Zr48  1  0.370859  0.289876  0.554494  1
  Zr  Zr49  1  0.192335  0.021544  0.658796  1
  Zr  Zr50  1  0.607520  0.736791  0.601781  1
  Zr  Zr51  1  0.735511  0.321040  0.700678  1
  Zr  Zr52  1  0.043266  0.886713  0.618596  1
  Zr  Zr53  1  0.456198  0.586753  0.576612  1
  Zr  Zr54  1  0.595958  0.164734  0.678933  1
  Zr  Zr55  1  0.427160  0.988624  0.566395  1
  Zr  Zr56  1  0.588370  0.565872  0.671954  1
  Zr  Zr57  1  0.972951  0.268144  0.627342  1
  Zr  Zr58  1  0.902439  0.907283  0.705011  1
  Zr  Zr59  1  0.244987  0.636307  0.652950  1
  Zr  Zr60  1  0.637192  0.340438  0.611408  1
  Zr  Zr61  1  0.752600  0.147916  0.589121  1
  Zr  Zr62  1  0.916813  0.750433  0.673213  1
  Zr  Zr63  1  0.343906  0.448827  0.630474  1
  Zr  Zr64  1  0.448680  0.760884  0.690974  1
  Zr  Zr65  1  0.855284  0.456668  0.649496  1
  Zr  Zr66  1  0.282147  0.158763  0.608164  1
  Zr  Zr67  1  0.668085  0.016003  0.641887  1
  Zr  Zr68  1  0.102430  0.733569  0.582090  1
  Zr  Zr69  1  0.221308  0.313746  0.682175  1
  Zr  Zr70  1  0.554951  0.888900  0.636392  1
  Zr  Zr71  1  0.962269  0.589989  0.596004  1
  Zr  Zr72  1  0.105351  0.175171  0.695467  1
  Ni  Ni73  1  0.413284  0.328680  0.382729  1
  Ni  Ni74  1  0.838229  0.047874  0.321456  1
  Ni  Ni75  1  0.275335  0.748891  0.280590  1
  Ni  Ni76  1  0.345064  0.251352  0.413007  1
  Ni  Ni77  1  0.789358  0.971111  0.351168  1
  Ni  Ni78  1  0.206046  0.672527  0.310252  1
  Ni  Ni79  1  0.871378  0.130517  0.296333  1
  Ni  Ni80  1  0.060884  0.703382  0.396595  1
  Ni  Ni81  1  0.480461  0.404586  0.351780  1
  Ni  Ni82  1  0.387664  0.177414  0.376790  1
  Ni  Ni83  1  0.883552  0.896786  0.318261  1
  Ni  Ni84  1  0.987511  0.478051  0.417277  1
  Ni  Ni85  1  0.848709  0.195933  0.335551  1
  Ni  Ni86  1  0.266673  0.896665  0.293793  1
  Ni  Ni87  1  0.419543  0.477992  0.391009  1
  Ni  Ni88  1  0.677817  0.211121  0.423882  1
  Ni  Ni89  1  0.116346  0.929775  0.363203  1
  Ni  Ni90  1  0.524793  0.626452  0.323518  1
  Ni  Ni91  1  0.515748  0.158075  0.286280  1
  Ni  Ni92  1  0.729137  0.742868  0.383709  1
  Ni  Ni93  1  0.148004  0.442022  0.342357  1
  Ni  Ni94  1  0.869112  0.291281  0.329245  1
  Ni  Ni95  1  0.040673  0.889696  0.410415  1
  Ni  Ni96  1  0.443880  0.587393  0.368865  1
  Ni  Ni97  1  0.509900  0.314567  0.331967  1
  Ni  Ni98  1  0.677170  0.916735  0.416462  1
  Ni  Ni99  1  0.091331  0.616013  0.373777  1
  Ni  Ni100  1  0.749298  0.055373  0.372567  1
  Ni  Ni101  1  0.184917  0.758128  0.330281  1
  Ni  Ni102  1  0.574048  0.453848  0.295362  1
  Ni  Ni103  1  0.035450  0.095349  0.403053  1
  Ni  Ni104  1  0.473782  0.794947  0.362697  1
  Ni  Ni105  1  0.881968  0.493269  0.323213  1
  Ni  Ni106  1  0.202328  0.277556  0.305374  1
  Ni  Ni107  1  0.379554  0.877767  0.386267  1
  Ni  Ni108  1  0.795515  0.578819  0.345162  1
  Ni  Ni109  1  0.182946  0.181889  0.309627  1
  Ni  Ni110  1  0.390345  0.756277  0.410504  1
  Ni  Ni111  1  0.798155  0.454629  0.368232  1
  Ni  Ni112  1  0.021486  0.196862  0.400066  1
  Ni  Ni113  1  0.458434  0.918845  0.338841  1
  Ni  Ni114  1  0.855968  0.629464  0.298485  1
  Ni  Ni115  1  0.502196  0.219764  0.326544  1
  Ni  Ni116  1  0.688202  0.818787  0.410144  1
  Ni  Ni117  1  0.100075  0.518861  0.367987  1
  Ni  Ni118  1  0.735580  0.152320  0.380942  1
  Ni  Ni119  1  0.185918  0.852878  0.339395  1
  Ni  Ni120  1  0.634260  0.550350  0.298392  1
  Ni  Ni121  1  0.205170  0.078240  0.306724  1
  Ni  Ni122  1  0.372839  0.649793  0.410927  1
  Ni  Ni123  1  0.784359  0.351576  0.369240  1
  Ni  Ni124  1  0.034026  0.306541  0.397122  1
  Ni  Ni125  1  0.464665  0.022336  0.336602  1
  Ni  Ni126  1  0.898235  0.725852  0.294692  1
  Ni  Ni127  1  0.117509  0.031396  0.357834  1
  Ni  Ni128  1  0.547743  0.725872  0.316101  1
  Ni  Ni129  1  0.681662  0.311856  0.419143  1
  Ni  Ni130  1  0.143047  0.344931  0.347660  1
  Ni  Ni131  1  0.550722  0.062500  0.288828  1
  Ni  Ni132  1  0.721972  0.643524  0.388857  1
  Ni  Ni133  1  0.385923  0.081828  0.382326  1
  Ni  Ni134  1  0.815648  0.783512  0.337964  1
  Ni  Ni135  1  0.207061  0.478261  0.296774  1
  Ni  Ni136  1  0.148804  0.210485  0.526849  1
  Ni  Ni137  1  0.584402  0.929425  0.466816  1
  Ni  Ni138  1  0.998299  0.627767  0.424967  1
  Ni  Ni139  1  0.086876  0.134372  0.556656  1
  Ni  Ni140  1  0.526617  0.852737  0.495954  1
  Ni  Ni141  1  0.936654  0.552628  0.454393  1
  Ni  Ni142  1  0.646209  0.005560  0.436996  1
  Ni  Ni143  1  0.798053  0.587538  0.539035  1
  Ni  Ni144  1  0.206701  0.287140  0.497725  1
  Ni  Ni145  1  0.135576  0.060773  0.519633  1
  Ni  Ni146  1  0.580402  0.778145  0.459160  1
  Ni  Ni147  1  0.728490  0.361618  0.560529  1
  Ni  Ni148  1  0.597837  0.079115  0.474024  1
  Ni  Ni149  1  0.005721  0.778468  0.432868  1
  Ni  Ni150  1  0.152375  0.361720  0.534410  1
  Ni  Ni151  1  0.425737  0.095524  0.564978  1
  Ni  Ni152  1  0.856916  0.813444  0.508610  1
  Ni  Ni153  1  0.267524  0.513279  0.467279  1
  Ni  Ni154  1  0.307514  0.044356  0.428645  1
  Ni  Ni155  1  0.467087  0.626911  0.526091  1
  Ni  Ni156  1  0.876704  0.326437  0.485066  1
  Ni  Ni157  1  0.598386  0.173326  0.469785  1
  Ni  Ni158  1  0.779449  0.772711  0.554664  1
  Ni  Ni159  1  0.187815  0.471629  0.512533  1
  Ni  Ni160  1  0.239138  0.200949  0.476646  1
  Ni  Ni161  1  0.418119  0.800141  0.560118  1
  Ni  Ni162  1  0.827722  0.499582  0.517791  1
  Ni  Ni163  1  0.494314  0.938950  0.517011  1
  Ni  Ni164  1  0.906598  0.640562  0.475588  1
  Ni  Ni165  1  0.316158  0.339817  0.433485  1
  Ni  Ni166  1  0.786169  0.979926  0.544948  1
  Ni  Ni167  1  0.206091  0.679247  0.506006  1
  Ni  Ni168  1  0.616607  0.378315  0.464065  1
  Ni  Ni169  1  0.947338  0.159946  0.448700  1
  Ni  Ni170  1  0.117648  0.761674  0.529575  1
  Ni  Ni171  1  0.528105  0.460824  0.487364  1
  Ni  Ni172  1  0.964340  0.059219  0.451249  1
  Ni  Ni173  1  0.129534  0.639570  0.553611  1
  Ni  Ni174  1  0.538589  0.339322  0.511798  1
  Ni  Ni175  1  0.769023  0.080647  0.542392  1
  Ni  Ni176  1  0.194978  0.800558  0.481789  1
  Ni  Ni177  1  0.605240  0.500471  0.439867  1
  Ni  Ni178  1  0.246561  0.102867  0.471813  1
  Ni  Ni179  1  0.428450  0.701727  0.553733  1
  Ni  Ni180  1  0.837122  0.401898  0.511769  1
  Ni  Ni181  1  0.486812  0.037003  0.521821  1
  Ni  Ni182  1  0.896851  0.738173  0.481654  1
  Ni  Ni183  1  0.306205  0.438203  0.439877  1
  Ni  Ni184  1  0.958719  0.950940  0.452334  1
  Ni  Ni185  1  0.111397  0.533913  0.554445  1
  Ni  Ni186  1  0.522953  0.234509  0.513019  1
  Ni  Ni187  1  0.774425  0.188955  0.541304  1
  Ni  Ni188  1  0.210326  0.905405  0.480626  1
  Ni  Ni189  1  0.623348  0.606208  0.438947  1
  Ni  Ni190  1  0.863657  0.913276  0.502489  1
  Ni  Ni191  1  0.273926  0.612551  0.461097  1
  Ni  Ni192  1  0.421798  0.195178  0.562147  1
  Ni  Ni193  1  0.869698  0.226624  0.491148  1
  Ni  Ni194  1  0.311212  0.944695  0.431421  1
  Ni  Ni195  1  0.460629  0.527663  0.532307  1
  Ni  Ni196  1  0.135090  0.966567  0.523880  1
  Ni  Ni197  1  0.546727  0.668627  0.480804  1
  Ni  Ni198  1  0.954679  0.367200  0.438993  1
  Ni  Ni199  1  0.895710  0.092489  0.672210  1
  Ni  Ni200  1  0.321088  0.811271  0.610905  1
  Ni  Ni201  1  0.736680  0.512481  0.568346  1
  Ni  Ni202  1  0.861994  0.009736  0.697288  1
  Ni  Ni203  1  0.254395  0.735268  0.641757  1
  Ni  Ni204  1  0.674404  0.436930  0.596482  1
  Ni  Ni205  1  0.388838  0.888586  0.580656  1
  Ni  Ni206  1  0.528109  0.466266  0.683850  1
  Ni  Ni207  1  0.944024  0.169066  0.642397  1
  Ni  Ni208  1  0.885096  0.944054  0.658148  1
  Ni  Ni209  1  0.315188  0.661871  0.602578  1
  Ni  Ni210  1  0.466998  0.243667  0.699656  1
  Ni  Ni211  1  0.346148  0.962533  0.616896  1
  Ni  Ni212  1  0.747737  0.661955  0.576259  1
  Ni  Ni213  1  0.851247  0.243470  0.675478  1
  Ni  Ni214  1  0.217262  0.982038  0.707355  1
  Ni  Ni215  1  0.587250  0.697787  0.651162  1
  Ni  Ni216  1  1.004797  0.397234  0.609825  1
  Ni  Ni217  1  0.055941  0.928774  0.569813  1
  Ni  Ni218  1  0.210110  0.512603  0.669907  1
  Ni  Ni219  1  0.615521  0.210028  0.630422  1
  Ni  Ni220  1  0.347735  0.058138  0.611336  1
  Ni  Ni221  1  0.527903  0.661287  0.696648  1
  Ni  Ni222  1  0.913728  0.355712  0.655345  1
  Ni  Ni223  1  0.984357  0.084575  0.621086  1
  Ni  Ni224  1  0.160365  0.685550  0.698223  1
  Ni  Ni225  1  0.546306  0.381161  0.664342  1
  Ni  Ni226  1  0.224377  0.825269  0.661665  1
  Ni  Ni227  1  0.644530  0.523894  0.619503  1
  Ni  Ni228  1  0.055444  0.223277  0.577175  1
  Ni  Ni229  1  0.531323  0.862430  0.688304  1
  Ni  Ni230  1  0.940281  0.560624  0.648299  1
  Ni  Ni231  1  0.351359  0.262698  0.607668  1
  Ni  Ni232  1  0.698156  0.044579  0.590615  1
  Ni  Ni233  1  0.852697  0.646149  0.670227  1
  Ni  Ni234  1  0.258461  0.345491  0.631056  1
  Ni  Ni235  1  0.712309  0.943057  0.593604  1
  Ni  Ni236  1  0.879993  0.509301  0.694977  1
  Ni  Ni237  1  0.273652  0.221415  0.654597  1
  Ni  Ni238  1  0.550429  0.958267  0.684051  1
  Ni  Ni239  1  0.936816  0.685120  0.625310  1
  Ni  Ni240  1  0.342101  0.384163  0.582911  1
  Ni  Ni241  1  0.998209  0.987607  0.612747  1
  Ni  Ni242  1  0.100601  0.588908  0.695000  1
  Ni  Ni243  1  0.550459  0.287216  0.654093  1
  Ni  Ni244  1  0.231590  0.920170  0.667143  1
  Ni  Ni245  1  0.634637  0.620849  0.625550  1
  Ni  Ni246  1  0.045230  0.321369  0.583451  1
  Ni  Ni247  1  0.700157  0.833451  0.596537  1
  Ni  Ni248  1  0.843708  0.413490  0.698127  1
  Ni  Ni249  1  0.269020  0.117979  0.656994  1
  Ni  Ni250  1  0.528522  0.062146  0.686812  1
  Ni  Ni251  1  0.949998  0.788293  0.624419  1
  Ni  Ni252  1  0.361827  0.490352  0.582463  1
  Ni  Ni253  1  0.591552  0.794996  0.645970  1
  Ni  Ni254  1  0.013741  0.496358  0.604655  1
  Ni  Ni255  1  0.183088  0.077725  0.704769  1
  Ni  Ni256  1  0.616269  0.108524  0.635865  1
  Ni  Ni257  1  0.052400  0.828040  0.574531  1
  Ni  Ni258  1  0.184723  0.412886  0.676435  1
  Ni  Ni259  1  0.865092  0.848584  0.664495  1
  Ni  Ni260  1  0.292248  0.552614  0.624658  1
  Ni  Ni261  1  0.690742  0.250309  0.583302  1
