# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.67785692
_cell_length_b   12.76370374
_cell_length_c   48.91073067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.72347010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8529.19625341
_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  0.519433  0.247109  0.301621  1
  Zr  Zr2  1  0.925320  0.474003  0.347746  1
  Zr  Zr3  1  0.972939  0.701762  0.291575  1
  Zr  Zr4  1  0.381815  0.922819  0.335770  1
  Zr  Zr5  1  0.762270  0.832157  0.350757  1
  Zr  Zr6  1  0.350804  0.611805  0.307196  1
  Zr  Zr7  1  0.543746  0.556035  0.333295  1
  Zr  Zr8  1  0.131831  0.337190  0.290092  1
  Zr  Zr9  1  0.864209  0.012404  0.300995  1
  Zr  Zr10  1  0.269136  0.245766  0.345647  1
  Zr  Zr11  1  0.628124  0.915926  0.295066  1
  Zr  Zr12  1  0.035286  0.149298  0.338323  1
  Zr  Zr13  1  0.754693  0.335754  0.309321  1
  Zr  Zr14  1  0.161403  0.560401  0.354444  1
  Zr  Zr15  1  0.734296  0.612226  0.286951  1
  Zr  Zr16  1  0.145249  0.835639  0.330299  1
  Zr  Zr17  1  0.332133  0.693428  0.393343  1
  Zr  Zr18  1  0.737919  0.915362  0.438799  1
  Zr  Zr19  1  0.788310  0.140683  0.381577  1
  Zr  Zr20  1  0.194938  0.361725  0.427513  1
  Zr  Zr21  1  0.575717  0.273929  0.442120  1
  Zr  Zr22  1  0.169019  0.056263  0.396490  1
  Zr  Zr23  1  0.357114  1.001191  0.423593  1
  Zr  Zr24  1  0.951758  0.782501  0.378361  1
  Zr  Zr25  1  0.676070  0.465115  0.390571  1
  Zr  Zr26  1  0.082857  0.688450  0.436090  1
  Zr  Zr27  1  0.444239  0.366516  0.384818  1
  Zr  Zr28  1  0.850072  0.588486  0.430204  1
  Zr  Zr29  1  0.567092  0.781034  0.400291  1
  Zr  Zr30  1  0.973525  1.002310  0.445914  1
  Zr  Zr31  1  0.552870  0.053280  0.375153  1
  Zr  Zr32  1  0.959454  0.274243  0.419944  1
  Zr  Zr33  1  0.144096  0.135402  0.484448  1
  Zr  Zr34  1  0.550523  0.356387  0.530048  1
  Zr  Zr35  1  0.601948  0.581322  0.472948  1
  Zr  Zr36  1  0.008374  0.802307  0.518547  1
  Zr  Zr37  1  0.388827  0.715171  0.533635  1
  Zr  Zr38  1  0.982195  0.495059  0.487928  1
  Zr  Zr39  1  0.170276  0.442650  0.515067  1
  Zr  Zr40  1  0.763644  0.222538  0.469361  1
  Zr  Zr41  1  0.489254  0.908486  0.481585  1
  Zr  Zr42  1  0.895655  0.129294  0.527083  1
  Zr  Zr43  1  0.256816  0.808415  0.475913  1
  Zr  Zr44  1  0.663216  0.029223  0.521410  1
  Zr  Zr45  1  0.379487  0.222544  0.491777  1
  Zr  Zr46  1  0.786074  0.443517  0.537113  1
  Zr  Zr47  1  0.366396  0.494192  0.465882  1
  Zr  Zr48  1  0.772983  0.715165  0.511218  1
  Zr  Zr49  1  0.957532  0.575984  0.575483  1
  Zr  Zr50  1  0.364161  0.797026  0.621418  1
  Zr  Zr51  1  0.414551  0.022347  0.564197  1
  Zr  Zr52  1  0.820337  0.244281  0.609653  1
  Zr  Zr53  1  0.200712  0.155208  0.624635  1
  Zr  Zr54  1  0.795357  0.936518  0.579403  1
  Zr  Zr55  1  0.983451  0.881446  0.606505  1
  Zr  Zr56  1  0.576753  0.663780  0.560876  1
  Zr  Zr57  1  0.302398  0.349223  0.572791  1
  Zr  Zr58  1  0.708231  0.571193  0.618177  1
  Zr  Zr59  1  0.069613  0.249259  0.566905  1
  Zr  Zr60  1  0.476400  0.472594  0.612425  1
  Zr  Zr61  1  0.193016  0.663466  0.583052  1
  Zr  Zr62  1  0.599600  0.884429  0.627843  1
  Zr  Zr63  1  0.178946  0.935399  0.557082  1
  Zr  Zr64  1  0.585378  0.156675  0.602705  1
  Zr  Zr65  1  0.770655  0.014890  0.667226  1
  Zr  Zr66  1  0.179531  0.235947  0.711421  1
  Zr  Zr67  1  0.227150  0.463706  0.655250  1
  Zr  Zr68  1  0.633037  0.690600  0.701375  1
  Zr  Zr69  1  0.020639  0.600519  0.712904  1
  Zr  Zr70  1  0.608724  0.381674  0.669701  1
  Zr  Zr71  1  0.801666  0.325904  0.695800  1
  Zr  Zr72  1  0.390200  0.105552  0.652238  1
  Zr  Zr73  1  0.117184  0.788411  0.664672  1
  Zr  Zr74  1  0.524346  0.021783  0.707930  1
  Zr  Zr75  1  0.883334  0.691943  0.657349  1
  Zr  Zr76  1  0.288261  0.925305  0.702001  1
  Zr  Zr77  1  0.007221  0.102070  0.672697  1
  Zr  Zr78  1  0.418174  0.325483  0.716044  1
  Zr  Zr79  1  0.991067  0.377307  0.648551  1
  Zr  Zr80  1  0.397778  0.601955  0.693675  1
  Ni  Ni81  1  0.654696  0.194546  0.340569  1
  Ni  Ni82  1  0.247520  0.976892  0.293532  1
  Ni  Ni83  1  0.594573  0.369319  0.344229  1
  Ni  Ni84  1  0.187500  0.153542  0.300746  1
  Ni  Ni85  1  0.711361  0.017131  0.338066  1
  Ni  Ni86  1  0.302387  0.801992  0.293751  1
  Ni  Ni87  1  0.613648  0.445611  0.295502  1
  Ni  Ni88  1  0.020259  0.666244  0.340340  1
  Ni  Ni89  1  0.876981  0.507523  0.298885  1
  Ni  Ni90  1  0.285926  0.731899  0.343772  1
  Ni  Ni91  1  0.014941  0.161395  0.284945  1
  Ni  Ni92  1  0.418016  0.385220  0.331510  1
  Ni  Ni93  1  0.477415  0.783449  0.306497  1
  Ni  Ni94  1  0.888729  1.003537  0.352589  1
  Ni  Ni95  1  0.951295  0.321855  0.311708  1
  Ni  Ni96  1  0.358237  0.539726  0.357864  1
  Ni  Ni97  1  0.691580  0.124340  0.295253  1
  Ni  Ni98  1  0.100339  0.354571  0.341395  1
  Ni  Ni99  1  0.797926  0.810788  0.295634  1
  Ni  Ni100  1  0.207329  0.038090  0.340603  1
  Ni  Ni101  1  0.645276  0.726687  0.318772  1
  Ni  Ni102  1  0.054458  0.953779  0.361961  1
  Ni  Ni103  1  0.849566  0.204094  0.280140  1
  Ni  Ni104  1  0.252251  0.442120  0.320225  1
  Ni  Ni105  1  0.572250  0.876686  0.347229  1
  Ni  Ni106  1  0.164817  0.662963  0.304202  1
  Ni  Ni107  1  0.732316  0.514025  0.336663  1
  Ni  Ni108  1  0.326147  0.290212  0.294241  1
  Ni  Ni109  1  0.466208  0.718632  0.353047  1
  Ni  Ni110  1  0.056735  0.505383  0.308696  1
  Ni  Ni111  1  0.841797  0.670199  0.329961  1
  Ni  Ni112  1  0.439593  0.449188  0.286532  1
  Ni  Ni113  1  0.536257  0.055136  0.321627  1
  Ni  Ni114  1  0.125171  0.832615  0.277512  1
  Ni  Ni115  1  0.772606  0.334855  0.362107  1
  Ni  Ni116  1  0.365775  0.114762  0.316030  1
  Ni  Ni117  1  0.471036  0.208912  0.352013  1
  Ni  Ni118  1  0.064360  0.988078  0.306235  1
  Ni  Ni119  1  0.836421  0.177871  0.330347  1
  Ni  Ni120  1  0.432536  0.964257  0.286828  1
  Ni  Ni121  1  0.538815  0.626868  0.282534  1
  Ni  Ni122  1  0.947932  0.849234  0.325870  1
  Ni  Ni123  1  0.466744  0.638071  0.433394  1
  Ni  Ni124  1  0.059698  0.418681  0.387428  1
  Ni  Ni125  1  0.407554  0.815098  0.436558  1
  Ni  Ni126  1  0.001093  0.595653  0.391100  1
  Ni  Ni127  1  0.525605  0.460579  0.429833  1
  Ni  Ni128  1  0.117714  0.241920  0.384415  1
  Ni  Ni129  1  0.427853  0.884782  0.385802  1
  Ni  Ni130  1  0.834710  0.107434  0.431764  1
  Ni  Ni131  1  0.692431  0.947891  0.388628  1
  Ni  Ni132  1  0.098276  0.169473  0.434525  1
  Ni  Ni133  1  0.824009  0.609166  0.376873  1
  Ni  Ni134  1  0.230036  0.829685  0.422507  1
  Ni  Ni135  1  0.296131  0.225836  0.398874  1
  Ni  Ni136  1  0.703491  0.445160  0.443940  1
  Ni  Ni137  1  0.765091  0.761738  0.403702  1
  Ni  Ni138  1  0.171320  0.981942  0.449101  1
  Ni  Ni139  1  0.506461  0.573745  0.387798  1
  Ni  Ni140  1  0.913930  0.795241  0.432758  1
  Ni  Ni141  1  0.613408  0.259001  0.386975  1
  Ni  Ni142  1  0.019493  0.481882  0.433295  1
  Ni  Ni143  1  0.463445  0.168827  0.408341  1
  Ni  Ni144  1  0.870794  0.388968  0.453763  1
  Ni  Ni145  1  0.657328  0.662477  0.367070  1
  Ni  Ni146  1  0.063561  0.888218  0.411737  1
  Ni  Ni147  1  0.387903  0.316350  0.438717  1
  Ni  Ni148  1  0.980362  0.097077  0.392846  1
  Ni  Ni149  1  0.544898  0.959248  0.427832  1
  Ni  Ni150  1  0.139661  0.737592  0.382436  1
  Ni  Ni151  1  0.277713  0.161270  0.445205  1
  Ni  Ni152  1  0.871367  0.941548  0.399383  1
  Ni  Ni153  1  0.655733  0.113944  0.421163  1
  Ni  Ni154  1  0.248203  0.895633  0.376141  1
  Ni  Ni155  1  0.347675  0.498779  0.412104  1
  Ni  Ni156  1  0.940136  0.279603  0.365863  1
  Ni  Ni157  1  0.585738  0.777198  0.454165  1
  Ni  Ni158  1  0.179064  0.556838  0.408731  1
  Ni  Ni159  1  0.283974  0.651672  0.444312  1
  Ni  Ni160  1  0.876784  0.431383  0.398708  1
  Ni  Ni161  1  0.649526  0.623776  0.422029  1
  Ni  Ni162  1  0.242704  0.404091  0.376832  1
  Ni  Ni163  1  0.354768  0.074731  0.371059  1
  Ni  Ni164  1  0.761596  0.293491  0.416648  1
  Ni  Ni165  1  0.279308  0.078782  0.524371  1
  Ni  Ni166  1  0.873162  0.858927  0.478625  1
  Ni  Ni167  1  0.220225  0.256042  0.527855  1
  Ni  Ni168  1  0.813881  0.036100  0.482148  1
  Ni  Ni169  1  0.338589  0.901609  0.520848  1
  Ni  Ni170  1  0.932246  0.681667  0.475140  1
  Ni  Ni171  1  0.240621  0.327485  0.477455  1
  Ni  Ni172  1  0.647349  0.548808  0.522984  1
  Ni  Ni173  1  0.505121  0.388901  0.480012  1
  Ni  Ni174  1  0.911850  0.610224  0.525541  1
  Ni  Ni175  1  0.636113  0.051001  0.467928  1
  Ni  Ni176  1  0.042690  0.271418  0.513411  1
  Ni  Ni177  1  0.109780  0.666291  0.489584  1
  Ni  Ni178  1  0.516357  0.886708  0.535068  1
  Ni  Ni179  1  0.577428  0.202463  0.494871  1
  Ni  Ni180  1  0.984247  0.422784  0.540388  1
  Ni  Ni181  1  0.319712  0.014868  0.478470  1
  Ni  Ni182  1  0.726168  0.235613  0.523969  1
  Ni  Ni183  1  0.426303  0.702096  0.479026  1
  Ni  Ni184  1  0.832758  0.922841  0.524526  1
  Ni  Ni185  1  0.277436  0.609432  0.499575  1
  Ni  Ni186  1  0.684129  0.830240  0.545116  1
  Ni  Ni187  1  0.468341  0.107469  0.457879  1
  Ni  Ni188  1  0.875034  0.328277  0.503421  1
  Ni  Ni189  1  0.201167  0.757123  0.529768  1
  Ni  Ni190  1  0.794693  0.536710  0.483985  1
  Ni  Ni191  1  0.357778  0.400999  0.519011  1
  Ni  Ni192  1  0.951303  0.180586  0.473227  1
  Ni  Ni193  1  0.091062  0.602567  0.536325  1
  Ni  Ni194  1  0.683912  0.382254  0.490705  1
  Ni  Ni195  1  0.468558  0.555455  0.512291  1
  Ni  Ni196  1  0.061408  0.335142  0.466670  1
  Ni  Ni197  1  0.160517  0.940019  0.503223  1
  Ni  Ni198  1  0.754159  0.719928  0.457548  1
  Ni  Ni199  1  0.398311  0.217781  0.545448  1
  Ni  Ni200  1  0.991953  0.997690  0.499772  1
  Ni  Ni201  1  0.096511  0.092593  0.535432  1
  Ni  Ni202  1  0.690398  0.872674  0.489809  1
  Ni  Ni203  1  0.462072  0.065035  0.513186  1
  Ni  Ni204  1  0.055959  0.845116  0.467563  1
  Ni  Ni205  1  0.168223  0.514925  0.462608  1
  Ni  Ni206  1  0.575042  0.735245  0.508125  1
  Ni  Ni207  1  0.092772  0.519028  0.615568  1
  Ni  Ni208  1  0.685726  0.299638  0.569602  1
  Ni  Ni209  1  0.034756  0.695789  0.618581  1
  Ni  Ni210  1  0.626865  0.477130  0.573163  1
  Ni  Ni211  1  0.151377  0.342056  0.611896  1
  Ni  Ni212  1  0.744917  0.122611  0.566438  1
  Ni  Ni213  1  0.054194  0.768236  0.568471  1
  Ni  Ni214  1  0.460039  0.989818  0.614368  1
  Ni  Ni215  1  0.317760  0.830275  0.571232  1
  Ni  Ni216  1  0.724617  0.052927  0.617193  1
  Ni  Ni217  1  0.448979  0.492549  0.559055  1
  Ni  Ni218  1  0.856339  0.711873  0.604122  1
  Ni  Ni219  1  0.922434  0.108024  0.580488  1
  Ni  Ni220  1  0.328461  0.328543  0.626122  1
  Ni  Ni221  1  0.390874  0.644218  0.586348  1
  Ni  Ni222  1  0.797702  0.862978  0.631937  1
  Ni  Ni223  1  0.132978  0.455827  0.569701  1
  Ni  Ni224  1  0.539062  0.678708  0.616020  1
  Ni  Ni225  1  0.238541  0.142468  0.570238  1
  Ni  Ni226  1  0.646009  0.363964  0.615197  1
  Ni  Ni227  1  0.088909  0.049491  0.591259  1
  Ni  Ni228  1  0.495143  0.275232  0.635925  1
  Ni  Ni229  1  0.281676  0.548741  0.549233  1
  Ni  Ni230  1  0.689025  0.768882  0.594654  1
  Ni  Ni231  1  0.012810  0.200117  0.620559  1
  Ni  Ni232  1  0.607573  0.978461  0.575164  1
  Ni  Ni233  1  0.172108  0.840632  0.610150  1
  Ni  Ni234  1  0.764567  0.621359  0.564279  1
  Ni  Ni235  1  0.904267  0.042076  0.626854  1
  Ni  Ni236  1  0.496737  0.823765  0.581833  1
  Ni  Ni237  1  0.281103  0.996161  0.603613  1
  Ni  Ni238  1  0.874758  0.776439  0.557791  1
  Ni  Ni239  1  0.973406  0.380871  0.594265  1
  Ni  Ni240  1  0.566732  0.160511  0.548831  1
  Ni  Ni241  1  0.212334  0.658106  0.637133  1
  Ni  Ni242  1  0.804795  0.438930  0.590892  1
  Ni  Ni243  1  0.909766  0.533618  0.626163  1
  Ni  Ni244  1  0.502945  0.313933  0.580967  1
  Ni  Ni245  1  0.275686  0.506326  0.604288  1
  Ni  Ni246  1  0.868496  0.286037  0.558684  1
  Ni  Ni247  1  0.981151  0.955767  0.553895  1
  Ni  Ni248  1  0.387379  0.175971  0.599294  1
  Ni  Ni249  1  0.904950  0.960817  0.709464  1
  Ni  Ni250  1  0.497774  0.743163  0.662427  1
  Ni  Ni251  1  0.850084  0.135717  0.709244  1
  Ni  Ni252  1  0.441109  0.920578  0.664930  1
  Ni  Ni253  1  0.964970  0.784167  0.702250  1
  Ni  Ni254  1  0.557898  0.568390  0.658766  1
  Ni  Ni255  1  0.866544  0.205810  0.659224  1
  Ni  Ni256  1  0.275489  0.430186  0.704111  1
  Ni  Ni257  1  0.132211  0.271465  0.662655  1
  Ni  Ni258  1  0.538822  0.492098  0.707494  1
  Ni  Ni259  1  0.263741  0.934172  0.650406  1
  Ni  Ni260  1  0.675056  0.154260  0.696499  1
  Ni  Ni261  1  0.734454  0.552489  0.671486  1
  Ni  Ni262  1  0.137529  0.776314  0.718050  1
  Ni  Ni263  1  0.204538  0.088475  0.677126  1
  Ni  Ni264  1  0.613655  0.310841  0.720461  1
  Ni  Ni265  1  0.945141  0.899619  0.662392  1
  Ni  Ni266  1  0.354544  0.126921  0.707362  1
  Ni  Ni267  1  0.052131  0.583138  0.661601  1
  Ni  Ni268  1  0.460890  0.813369  0.707742  1
  Ni  Ni269  1  0.900219  0.495589  0.682771  1
  Ni  Ni270  1  0.302904  0.733615  0.722856  1
  Ni  Ni271  1  0.098012  0.983930  0.641035  1
  Ni  Ni272  1  0.507194  0.211022  0.684224  1
  Ni  Ni273  1  0.826323  0.647497  0.708755  1
  Ni  Ni274  1  0.420154  0.423684  0.666333  1
  Ni  Ni275  1  0.987653  0.274746  0.698794  1
  Ni  Ni276  1  0.580220  0.061023  0.655767  1
  Ni  Ni277  1  0.712877  0.488521  0.716464  1
  Ni  Ni278  1  0.310673  0.267510  0.673035  1
  Ni  Ni279  1  0.095736  0.432326  0.694300  1
  Ni  Ni280  1  0.686262  0.219077  0.649948  1
  Ni  Ni281  1  0.786696  0.822947  0.686966  1
  Ni  Ni282  1  0.379865  0.602854  0.640888  1
  Ni  Ni283  1  0.027299  0.105094  0.725484  1
  Ni  Ni284  1  0.616214  0.882573  0.681368  1
  Ni  Ni285  1  0.719934  0.973452  0.716168  1
  Ni  Ni286  1  0.316049  0.759838  0.672648  1
  Ni  Ni287  1  0.088110  0.949631  0.696761  1
  Ni  Ni288  1  0.681434  0.728797  0.650982  1
  Ni  Ni289  1  0.794234  0.397983  0.645131  1
  Ni  Ni290  1  0.201175  0.615854  0.691288  1
