# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67701444
_cell_length_b   18.80215414
_cell_length_c   50.53760440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.14853575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8123.46022225
_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  0.984172  0.549524  0.392294  1
  Zr  Zr2  1  0.594618  0.849953  0.345978  1
  Zr  Zr3  1  0.203153  0.144749  0.298792  1
  Zr  Zr4  1  0.814713  0.288289  0.427411  1
  Zr  Zr5  1  0.432959  0.586093  0.379224  1
  Zr  Zr6  1  0.041645  0.881840  0.330026  1
  Zr  Zr7  1  0.525767  0.298864  0.361839  1
  Zr  Zr8  1  0.141477  0.585847  0.314103  1
  Zr  Zr9  1  0.911120  0.999967  0.407576  1
  Zr  Zr10  1  0.114297  0.423931  0.316865  1
  Zr  Zr11  1  0.887007  0.840037  0.411072  1
  Zr  Zr12  1  0.494833  0.137102  0.363648  1
  Zr  Zr13  1  0.929663  0.286148  0.342293  1
  Zr  Zr14  1  0.574790  0.587895  0.297105  1
  Zr  Zr15  1  0.321508  0.988851  0.389134  1
  Zr  Zr16  1  0.699621  0.445355  0.333694  1
  Zr  Zr17  1  0.470319  0.849882  0.429779  1
  Zr  Zr18  1  0.082407  0.144952  0.382615  1
  Zr  Zr19  1  0.214505  0.388423  0.398203  1
  Zr  Zr20  1  0.833162  0.688497  0.351945  1
  Zr  Zr21  1  0.438856  0.985797  0.304948  1
  Zr  Zr22  1  0.583860  0.450560  0.421671  1
  Zr  Zr23  1  0.195821  0.746674  0.372958  1
  Zr  Zr24  1  0.801141  0.048406  0.323938  1
  Zr  Zr25  1  0.141127  0.658326  0.535614  1
  Zr  Zr26  1  0.751642  0.955032  0.487837  1
  Zr  Zr27  1  0.363152  0.252233  0.440005  1
  Zr  Zr28  1  0.976821  0.397042  0.570502  1
  Zr  Zr29  1  0.588331  0.694242  0.522670  1
  Zr  Zr30  1  0.198845  0.990949  0.474894  1
  Zr  Zr31  1  0.686369  0.405204  0.504277  1
  Zr  Zr32  1  0.298288  0.702488  0.455971  1
  Zr  Zr33  1  0.067433  0.107958  0.551950  1
  Zr  Zr34  1  0.272540  0.541317  0.458558  1
  Zr  Zr35  1  0.041684  0.946786  0.554537  1
  Zr  Zr36  1  0.653604  0.244070  0.506230  1
  Zr  Zr37  1  0.098113  0.394663  0.485159  1
  Zr  Zr38  1  0.712332  0.692354  0.437457  1
  Zr  Zr39  1  0.481210  0.096869  0.532973  1
  Zr  Zr40  1  0.858763  0.552405  0.477534  1
  Zr  Zr41  1  0.627641  0.956921  0.573051  1
  Zr  Zr42  1  0.241860  0.254611  0.525348  1
  Zr  Zr43  1  0.375869  0.497430  0.541407  1
  Zr  Zr44  1  0.986738  0.794396  0.494130  1
  Zr  Zr45  1  0.596961  0.091137  0.446369  1
  Zr  Zr46  1  0.743012  0.558137  0.564138  1
  Zr  Zr47  1  0.353235  0.854879  0.516377  1
  Zr  Zr48  1  0.964104  0.151844  0.469101  1
  Zr  Zr49  1  0.298328  0.767434  0.680482  1
  Zr  Zr50  1  0.907014  0.063182  0.631283  1
  Zr  Zr51  1  0.525260  0.360985  0.583097  1
  Zr  Zr52  1  0.136820  0.504525  0.711715  1
  Zr  Zr53  1  0.745355  0.799321  0.664529  1
  Zr  Zr54  1  0.355801  0.099750  0.618213  1
  Zr  Zr55  1  0.845140  0.512172  0.646859  1
  Zr  Zr56  1  0.452966  0.809237  0.599435  1
  Zr  Zr57  1  0.225675  0.225344  0.693642  1
  Zr  Zr58  1  0.428853  0.649307  0.602932  1
  Zr  Zr59  1  0.198496  0.063427  0.696405  1
  Zr  Zr60  1  0.814206  0.350410  0.648668  1
  Zr  Zr61  1  0.257566  0.504322  0.627892  1
  Zr  Zr62  1  0.869654  0.799392  0.580728  1
  Zr  Zr63  1  0.640352  0.203919  0.676814  1
  Zr  Zr64  1  0.018465  0.660424  0.621373  1
  Zr  Zr65  1  0.765183  0.061379  0.713403  1
  Zr  Zr66  1  0.410310  0.363126  0.668214  1
  Zr  Zr67  1  0.538832  0.600869  0.686569  1
  Zr  Zr68  1  0.144152  0.902601  0.637549  1
  Zr  Zr69  1  0.756113  0.198715  0.588837  1
  Zr  Zr70  1  0.901117  0.663478  0.705559  1
  Zr  Zr71  1  0.506811  0.960778  0.658563  1
  Zr  Zr72  1  0.125468  0.260851  0.612304  1
  Ni  Ni73  1  0.899582  0.419259  0.409748  1
  Ni  Ni74  1  0.513255  0.716525  0.361142  1
  Ni  Ni75  1  0.117208  0.012592  0.310065  1
  Ni  Ni76  1  0.884200  0.366347  0.296715  1
  Ni  Ni77  1  0.670369  0.774155  0.392649  1
  Ni  Ni78  1  0.276806  0.068544  0.342937  1
  Ni  Ni79  1  0.739766  0.363268  0.379863  1
  Ni  Ni80  1  0.356232  0.659151  0.330783  1
  Ni  Ni81  1  0.124316  0.064592  0.427659  1
  Ni  Ni82  1  0.281050  0.510148  0.409028  1
  Ni  Ni83  1  0.895503  0.811485  0.361435  1
  Ni  Ni84  1  0.499267  0.112880  0.315526  1
  Ni  Ni85  1  0.517310  0.328583  0.411321  1
  Ni  Ni86  1  0.135635  0.623446  0.361746  1
  Ni  Ni87  1  0.736978  0.922732  0.315619  1
  Ni  Ni88  1  0.222851  0.203851  0.343983  1
  Ni  Ni89  1  0.871153  0.510147  0.296972  1
  Ni  Ni90  1  0.614516  0.911942  0.392002  1
  Ni  Ni91  1  0.414598  0.525556  0.332613  1
  Ni  Ni92  1  0.181060  0.928177  0.427333  1
  Ni  Ni93  1  0.793670  0.224453  0.379990  1
  Ni  Ni94  1  0.299845  0.243924  0.389387  1
  Ni  Ni95  1  0.920412  0.543310  0.341691  1
  Ni  Ni96  1  0.540862  0.845762  0.296967  1
  Ni  Ni97  1  0.968785  0.419012  0.362059  1
  Ni  Ni98  1  0.587103  0.720021  0.314399  1
  Ni  Ni99  1  0.352316  0.121367  0.410767  1
  Ni  Ni100  1  0.658920  0.313554  0.312475  1
  Ni  Ni101  1  0.441777  0.717053  0.408724  1
  Ni  Ni102  1  0.050388  0.012393  0.358072  1
  Ni  Ni103  1  0.407988  0.394740  0.327341  1
  Ni  Ni104  1  0.189966  0.799468  0.420141  1
  Ni  Ni105  1  0.800356  0.095317  0.371112  1
  Ni  Ni106  1  0.217496  0.331582  0.350984  1
  Ni  Ni107  1  0.847475  0.645252  0.304807  1
  Ni  Ni108  1  0.605930  0.040743  0.398873  1
  Ni  Ni109  1  0.472204  0.438874  0.373349  1
  Ni  Ni110  1  0.082725  0.729564  0.326026  1
  Ni  Ni111  1  0.850998  0.138989  0.420420  1
  Ni  Ni112  1  0.144506  0.285767  0.304859  1
  Ni  Ni113  1  0.944657  0.698705  0.399479  1
  Ni  Ni114  1  0.554328  0.998882  0.351014  1
  Ni  Ni115  1  0.206503  0.486195  0.358035  1
  Ni  Ni116  1  0.820590  0.788084  0.311972  1
  Ni  Ni117  1  0.585608  0.191461  0.406634  1
  Ni  Ni118  1  0.420416  0.250312  0.318882  1
  Ni  Ni119  1  0.210057  0.646385  0.413003  1
  Ni  Ni120  1  0.819386  0.947601  0.364148  1
  Ni  Ni121  1  0.721107  0.503913  0.379469  1
  Ni  Ni122  1  0.334307  0.798672  0.330135  1
  Ni  Ni123  1  0.100412  0.205827  0.427522  1
  Ni  Ni124  1  0.905336  0.221563  0.298426  1
  Ni  Ni125  1  0.694520  0.632453  0.392396  1
  Ni  Ni126  1  0.303815  0.928061  0.342936  1
  Ni  Ni127  1  0.772247  0.540970  0.429071  1
  Ni  Ni128  1  0.382370  0.837997  0.381129  1
  Ni  Ni129  1  0.993158  0.134499  0.334435  1
  Ni  Ni130  1  0.024018  0.297343  0.390834  1
  Ni  Ni131  1  0.645258  0.597025  0.342783  1
  Ni  Ni132  1  0.262099  0.891137  0.296124  1
  Ni  Ni133  1  0.496389  0.594393  0.430316  1
  Ni  Ni134  1  0.105667  0.891153  0.380565  1
  Ni  Ni135  1  0.708549  0.190087  0.333198  1
  Ni  Ni136  1  0.058856  0.527793  0.552697  1
  Ni  Ni137  1  0.669986  0.824637  0.505254  1
  Ni  Ni138  1  0.281117  0.121482  0.457810  1
  Ni  Ni139  1  0.056864  0.475948  0.440044  1
  Ni  Ni140  1  0.827170  0.881049  0.535686  1
  Ni  Ni141  1  0.439060  0.178158  0.487880  1
  Ni  Ni142  1  0.900913  0.471116  0.522628  1
  Ni  Ni143  1  0.512803  0.768225  0.474821  1
  Ni  Ni144  1  0.283109  0.173327  0.570463  1
  Ni  Ni145  1  0.440495  0.618967  0.552974  1
  Ni  Ni146  1  0.050569  0.916038  0.505097  1
  Ni  Ni147  1  0.661603  0.213695  0.456854  1
  Ni  Ni148  1  0.678370  0.435579  0.553653  1
  Ni  Ni149  1  0.289404  0.733237  0.505411  1
  Ni  Ni150  1  0.899478  0.030307  0.457533  1
  Ni  Ni151  1  0.382750  0.314294  0.486739  1
  Ni  Ni152  1  0.000743  0.612578  0.439356  1
  Ni  Ni153  1  0.768719  0.016926  0.534683  1
  Ni  Ni154  1  0.571254  0.632349  0.475824  1
  Ni  Ni155  1  0.339230  0.036697  0.571151  1
  Ni  Ni156  1  0.957223  0.334980  0.523768  1
  Ni  Ni157  1  0.460857  0.352589  0.532214  1
  Ni  Ni158  1  0.076114  0.650384  0.484793  1
  Ni  Ni159  1  0.688906  0.948253  0.437229  1
  Ni  Ni160  1  0.130153  0.527376  0.505642  1
  Ni  Ni161  1  0.741564  0.824890  0.457987  1
  Ni  Ni162  1  0.512214  0.229752  0.553507  1
  Ni  Ni163  1  0.827759  0.419522  0.457000  1
  Ni  Ni164  1  0.598409  0.824385  0.552521  1
  Ni  Ni165  1  0.209820  0.121898  0.504865  1
  Ni  Ni166  1  0.577115  0.503255  0.469170  1
  Ni  Ni167  1  0.346087  0.906828  0.563871  1
  Ni  Ni168  1  0.958879  0.205951  0.516750  1
  Ni  Ni169  1  0.381094  0.443324  0.493757  1
  Ni  Ni170  1  0.993886  0.742447  0.446637  1
  Ni  Ni171  1  0.762858  0.146019  0.541337  1
  Ni  Ni172  1  0.629523  0.546145  0.516262  1
  Ni  Ni173  1  0.240160  0.842831  0.468085  1
  Ni  Ni174  1  0.013203  0.248300  0.563986  1
  Ni  Ni175  1  0.326770  0.400974  0.446521  1
  Ni  Ni176  1  0.099813  0.806444  0.542422  1
  Ni  Ni177  1  0.710450  0.103130  0.494245  1
  Ni  Ni178  1  0.363243  0.596729  0.501641  1
  Ni  Ni179  1  0.974693  0.894415  0.454277  1
  Ni  Ni180  1  0.747539  0.298265  0.548984  1
  Ni  Ni181  1  0.592434  0.351010  0.461523  1
  Ni  Ni182  1  0.365280  0.754859  0.556230  1
  Ni  Ni183  1  0.976730  0.052545  0.508866  1
  Ni  Ni184  1  0.878191  0.612479  0.522543  1
  Ni  Ni185  1  0.488939  0.909346  0.474914  1
  Ni  Ni186  1  0.261995  0.314741  0.570356  1
  Ni  Ni187  1  0.077978  0.334533  0.440151  1
  Ni  Ni188  1  0.851034  0.739928  0.535593  1
  Ni  Ni189  1  0.461782  0.036796  0.487964  1
  Ni  Ni190  1  0.929529  0.649140  0.572491  1
  Ni  Ni191  1  0.540450  0.945481  0.524687  1
  Ni  Ni192  1  0.153381  0.242805  0.476969  1
  Ni  Ni193  1  0.186592  0.406470  0.533538  1
  Ni  Ni194  1  0.799523  0.703793  0.485820  1
  Ni  Ni195  1  0.410444  1.000134  0.438016  1
  Ni  Ni196  1  0.651067  0.701022  0.573278  1
  Ni  Ni197  1  0.263859  0.998891  0.525714  1
  Ni  Ni198  1  0.879116  0.296686  0.478293  1
  Ni  Ni199  1  0.222765  0.636682  0.700442  1
  Ni  Ni200  1  0.826718  0.932750  0.649365  1
  Ni  Ni201  1  0.440391  0.230015  0.600760  1
  Ni  Ni202  1  0.215657  0.584682  0.582848  1
  Ni  Ni203  1  0.983741  0.990123  0.679724  1
  Ni  Ni204  1  0.600207  0.286007  0.630644  1
  Ni  Ni205  1  0.063167  0.580731  0.667570  1
  Ni  Ni206  1  0.669604  0.875120  0.617859  1
  Ni  Ni207  1  0.455773  0.282928  0.713793  1
  Ni  Ni208  1  0.602995  0.726543  0.694888  1
  Ni  Ni209  1  0.204338  0.025829  0.648761  1
  Ni  Ni210  1  0.822663  0.320692  0.599187  1
  Ni  Ni211  1  0.840706  0.536394  0.694981  1
  Ni  Ni212  1  0.444470  0.837789  0.649072  1
  Ni  Ni213  1  0.058923  0.139126  0.601479  1
  Ni  Ni214  1  0.546303  0.424822  0.630517  1
  Ni  Ni215  1  0.158913  0.721098  0.583174  1
  Ni  Ni216  1  0.925375  0.123719  0.677894  1
  Ni  Ni217  1  0.725457  0.737332  0.618505  1
  Ni  Ni218  1  0.468820  0.139128  0.713535  1
  Ni  Ni219  1  0.117122  0.445423  0.666524  1
  Ni  Ni220  1  0.631424  0.459188  0.677309  1
  Ni  Ni221  1  0.234306  0.758122  0.629942  1
  Ni  Ni222  1  0.843584  0.054882  0.580191  1
  Ni  Ni223  1  0.289585  0.636882  0.652435  1
  Ni  Ni224  1  0.898196  0.932221  0.601783  1
  Ni  Ni225  1  0.681052  0.335721  0.698032  1
  Ni  Ni226  1  0.987657  0.527907  0.599740  1
  Ni  Ni227  1  0.752870  0.929254  0.696108  1
  Ni  Ni228  1  0.371188  0.230262  0.648448  1
  Ni  Ni229  1  0.734043  0.608532  0.611634  1
  Ni  Ni230  1  0.492498  0.004023  0.705700  1
  Ni  Ni231  1  0.122476  0.317692  0.659523  1
  Ni  Ni232  1  0.539617  0.553957  0.639395  1
  Ni  Ni233  1  0.150007  0.849806  0.590367  1
  Ni  Ni234  1  0.931985  0.254535  0.683166  1
  Ni  Ni235  1  0.785645  0.650393  0.659493  1
  Ni  Ni236  1  0.395316  0.950569  0.611028  1
  Ni  Ni237  1  0.195466  0.363507  0.705648  1
  Ni  Ni238  1  0.488975  0.510286  0.590087  1
  Ni  Ni239  1  0.257248  0.919710  0.684481  1
  Ni  Ni240  1  0.867769  0.210401  0.637158  1
  Ni  Ni241  1  0.520587  0.701673  0.646359  1
  Ni  Ni242  1  0.129916  0.002889  0.597505  1
  Ni  Ni243  1  0.919557  0.398962  0.691625  1
  Ni  Ni244  1  0.754365  0.457813  0.603873  1
  Ni  Ni245  1  0.519383  0.861190  0.698535  1
  Ni  Ni246  1  0.133470  0.163080  0.652473  1
  Ni  Ni247  1  0.036158  0.721213  0.667571  1
  Ni  Ni248  1  0.645453  0.016822  0.618111  1
  Ni  Ni249  1  0.434637  0.427711  0.712081  1
  Ni  Ni250  1  0.239561  0.443448  0.582985  1
  Ni  Ni251  1  0.005666  0.850602  0.680372  1
  Ni  Ni252  1  0.618866  0.145361  0.631038  1
  Ni  Ni253  1  0.077874  0.758137  0.714384  1
  Ni  Ni254  1  0.694715  0.052249  0.667724  1
  Ni  Ni255  1  0.315955  0.351932  0.619673  1
  Ni  Ni256  1  0.346815  0.514775  0.676072  1
  Ni  Ni257  1  0.957603  0.811277  0.629378  1
  Ni  Ni258  1  0.567726  0.108305  0.581436  1
  Ni  Ni259  1  0.799111  0.803512  0.713541  1
  Ni  Ni260  1  0.419561  0.105964  0.668816  1
  Ni  Ni261  1  0.040128  0.405350  0.621120  1
