# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.79411212
_cell_length_b   8.53269372
_cell_length_c   56.27514758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.94898323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8511.17152076
_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  0.827349  0.882117  0.280736  1
  Zr  Zr2  1  0.231617  0.766479  0.325099  1
  Zr  Zr3  1  0.385148  0.394386  0.272492  1
  Zr  Zr4  1  0.785834  0.277170  0.316937  1
  Zr  Zr5  1  0.614539  0.265754  0.261153  1
  Zr  Zr6  1  0.017968  0.153852  0.305596  1
  Zr  Zr7  1  0.588942  0.011640  0.293280  1
  Zr  Zr8  1  0.997959  0.892853  0.338298  1
  Zr  Zr9  1  0.572118  0.598997  0.304483  1
  Zr  Zr10  1  0.158954  0.735874  0.264545  1
  Zr  Zr11  1  0.447615  0.432703  0.339214  1
  Zr  Zr12  1  0.039585  0.558055  0.294189  1
  Zr  Zr13  1  0.363985  0.897746  0.287369  1
  Zr  Zr14  1  0.768541  0.787996  0.335545  1
  Zr  Zr15  1  0.842825  0.381674  0.262687  1
  Zr  Zr16  1  0.248786  0.270980  0.307554  1
  Zr  Zr17  1  0.640348  0.640938  0.371693  1
  Zr  Zr18  1  0.047106  0.524461  0.417603  1
  Zr  Zr19  1  0.193094  0.163049  0.363020  1
  Zr  Zr20  1  0.599550  0.040897  0.408797  1
  Zr  Zr21  1  0.421438  0.032910  0.350868  1
  Zr  Zr22  1  0.831726  0.912963  0.397117  1
  Zr  Zr23  1  0.408882  0.769653  0.383725  1
  Zr  Zr24  1  0.815244  0.650772  0.429746  1
  Zr  Zr25  1  0.384960  0.367135  0.395485  1
  Zr  Zr26  1  0.976960  0.486627  0.350073  1
  Zr  Zr27  1  0.261285  0.200256  0.430757  1
  Zr  Zr28  1  0.854587  0.317831  0.385064  1
  Zr  Zr29  1  0.176858  0.669387  0.381180  1
  Zr  Zr30  1  0.583406  0.543848  0.427192  1
  Zr  Zr31  1  0.656918  0.135034  0.353405  1
  Zr  Zr32  1  0.063463  0.020881  0.399238  1
  Zr  Zr33  1  0.453617  0.404044  0.463368  1
  Zr  Zr34  1  0.860211  0.284739  0.509153  1
  Zr  Zr35  1  1.006488  0.923550  0.454707  1
  Zr  Zr36  1  0.413081  0.804321  0.500471  1
  Zr  Zr37  1  0.237956  0.795856  0.442447  1
  Zr  Zr38  1  0.644010  0.675202  0.488459  1
  Zr  Zr39  1  0.222688  0.533124  0.475389  1
  Zr  Zr40  1  0.628775  0.412426  0.521398  1
  Zr  Zr41  1  0.198951  0.128676  0.487230  1
  Zr  Zr42  1  0.791917  0.246312  0.441534  1
  Zr  Zr43  1  0.074778  0.961996  0.522319  1
  Zr  Zr44  1  0.667758  0.079623  0.476618  1
  Zr  Zr45  1  0.990427  0.426969  0.473059  1
  Zr  Zr46  1  0.397042  0.307524  0.518800  1
  Zr  Zr47  1  0.469665  0.900843  0.445044  1
  Zr  Zr48  1  0.876271  0.781317  0.490802  1
  Zr  Zr49  1  0.267168  0.167423  0.555048  1
  Zr  Zr50  1  0.673586  0.045334  0.600871  1
  Zr  Zr51  1  0.819575  0.683873  0.546257  1
  Zr  Zr52  1  0.226350  0.567390  0.592144  1
  Zr  Zr53  1  0.051453  0.557531  0.534111  1
  Zr  Zr54  1  0.457741  0.438625  0.580069  1
  Zr  Zr55  1  0.034971  0.295237  0.566730  1
  Zr  Zr56  1  0.445328  0.175720  0.613002  1
  Zr  Zr57  1  1.012136  0.890357  0.578782  1
  Zr  Zr58  1  0.605421  1.008010  0.533088  1
  Zr  Zr59  1  0.889655  0.721721  0.613781  1
  Zr  Zr60  1  0.481693  0.841187  0.568376  1
  Zr  Zr61  1  0.803223  0.187389  0.564633  1
  Zr  Zr62  1  0.209824  0.073381  0.610428  1
  Zr  Zr63  1  0.283301  0.664515  0.536651  1
  Zr  Zr64  1  0.689830  0.538843  0.582654  1
  Zr  Zr65  1  0.080895  0.930813  0.646890  1
  Zr  Zr66  1  0.481911  0.813912  0.690403  1
  Zr  Zr67  1  0.635042  0.442026  0.638683  1
  Zr  Zr68  1  0.039330  0.325945  0.683098  1
  Zr  Zr69  1  0.868567  0.315486  0.625588  1
  Zr  Zr70  1  0.277528  0.196492  0.670561  1
  Zr  Zr71  1  0.848796  0.054346  0.658290  1
  Zr  Zr72  1  0.252641  0.939990  0.702583  1
  Zr  Zr73  1  0.827329  0.650061  0.669645  1
  Zr  Zr74  1  0.419066  0.775829  0.624740  1
  Zr  Zr75  1  0.705384  0.474295  0.699364  1
  Zr  Zr76  1  0.294730  0.609583  0.659635  1
  Zr  Zr77  1  0.617698  0.936364  0.656333  1
  Zr  Zr78  1  0.023955  0.826459  0.701153  1
  Zr  Zr79  1  0.098162  0.420305  0.628276  1
  Zr  Zr80  1  0.502180  0.313247  0.676147  1
  Ni  Ni81  1  0.400212  0.680508  0.253224  1
  Ni  Ni82  1  0.804889  0.582051  0.298430  1
  Ni  Ni83  1  0.688951  0.757431  0.292815  1
  Ni  Ni84  1  0.095793  0.643243  0.338649  1
  Ni  Ni85  1  0.519392  0.514957  0.261926  1
  Ni  Ni86  1  0.919742  0.401815  0.305105  1
  Ni  Ni87  1  0.719326  0.019107  0.309830  1
  Ni  Ni88  1  0.311855  0.152510  0.268822  1
  Ni  Ni89  1  0.294681  0.023899  0.327469  1
  Ni  Ni90  1  0.895495  0.141076  0.284298  1
  Ni  Ni91  1  0.692511  0.946157  0.259850  1
  Ni  Ni92  1  0.102108  0.833515  0.303607  1
  Ni  Ni93  1  0.509060  0.330671  0.296229  1
  Ni  Ni94  1  0.913431  0.219514  0.341272  1
  Ni  Ni95  1  0.378611  0.753235  0.333045  1
  Ni  Ni96  1  0.975464  0.869083  0.287401  1
  Ni  Ni97  1  0.510747  0.804320  0.271149  1
  Ni  Ni98  1  0.913761  0.693081  0.316010  1
  Ni  Ni99  1  0.698561  0.467079  0.280348  1
  Ni  Ni100  1  0.103518  0.354535  0.326905  1
  Ni  Ni101  1  0.534734  0.141291  0.330629  1
  Ni  Ni102  1  0.130769  0.268693  0.283488  1
  Ni  Ni103  1  0.481182  0.892890  0.312892  1
  Ni  Ni104  1  0.075510  0.024896  0.268323  1
  Ni  Ni105  1  0.400835  0.183175  0.309652  1
  Ni  Ni106  1  0.994328  0.319690  0.266606  1
  Ni  Ni107  1  0.617887  0.848272  0.332036  1
  Ni  Ni108  1  0.210349  0.985193  0.286565  1
  Ni  Ni109  1  0.465186  0.105153  0.271750  1
  Ni  Ni110  1  0.872213  0.987598  0.319891  1
  Ni  Ni111  1  0.747793  0.174825  0.275844  1
  Ni  Ni112  1  0.144869  0.066438  0.322328  1
  Ni  Ni113  1  0.324567  0.498494  0.316532  1
  Ni  Ni114  1  0.914475  0.616314  0.271013  1
  Ni  Ni115  1  0.695678  0.541046  0.326730  1
  Ni  Ni116  1  0.290883  0.651362  0.281875  1
  Ni  Ni117  1  0.772158  0.664531  0.257126  1
  Ni  Ni118  1  0.179116  0.543381  0.302020  1
  Ni  Ni119  1  0.432180  0.622945  0.296669  1
  Ni  Ni120  1  0.835977  0.506922  0.342367  1
  Ni  Ni121  1  0.639803  0.288456  0.309157  1
  Ni  Ni122  1  0.230510  0.424654  0.264791  1
  Ni  Ni123  1  0.212191  0.465926  0.344675  1
  Ni  Ni124  1  0.620140  0.340811  0.390167  1
  Ni  Ni125  1  0.505117  0.520325  0.383660  1
  Ni  Ni126  1  0.911577  0.402246  0.429658  1
  Ni  Ni127  1  0.327083  0.281320  0.350726  1
  Ni  Ni128  1  0.735181  0.162198  0.396954  1
  Ni  Ni129  1  0.537236  0.779882  0.404474  1
  Ni  Ni130  1  0.128376  0.904225  0.357931  1
  Ni  Ni131  1  0.109957  0.785224  0.422232  1
  Ni  Ni132  1  0.703226  0.901550  0.377017  1
  Ni  Ni133  1  0.510588  0.702233  0.347443  1
  Ni  Ni134  1  0.918476  0.584737  0.393656  1
  Ni  Ni135  1  0.321012  0.101956  0.387285  1
  Ni  Ni136  1  0.727660  0.980289  0.432986  1
  Ni  Ni137  1  0.193638  0.515040  0.425204  1
  Ni  Ni138  1  0.786833  0.631664  0.379584  1
  Ni  Ni139  1  0.321300  0.574242  0.361945  1
  Ni  Ni140  1  0.728133  0.451658  0.408068  1
  Ni  Ni141  1  0.511610  0.229836  0.372760  1
  Ni  Ni142  1  0.918531  0.112900  0.418619  1
  Ni  Ni143  1  0.348677  0.909188  0.421465  1
  Ni  Ni144  1  0.941718  0.028687  0.376098  1
  Ni  Ni145  1  0.297926  0.657539  0.404718  1
  Ni  Ni146  1  0.890028  0.775549  0.359242  1
  Ni  Ni147  1  0.213878  0.955674  0.402429  1
  Ni  Ni148  1  0.807692  0.072066  0.357191  1
  Ni  Ni149  1  0.433308  0.610387  0.423693  1
  Ni  Ni150  1  0.025785  0.731724  0.378121  1
  Ni  Ni151  1  0.281254  0.871255  0.365542  1
  Ni  Ni152  1  0.687485  0.744010  0.412733  1
  Ni  Ni153  1  0.550829  0.936402  0.368185  1
  Ni  Ni154  1  0.959381  0.819794  0.414112  1
  Ni  Ni155  1  0.137859  0.261128  0.407874  1
  Ni  Ni156  1  0.731347  0.376247  0.362210  1
  Ni  Ni157  1  0.508743  0.303894  0.418377  1
  Ni  Ni158  1  0.101634  0.426924  0.372870  1
  Ni  Ni159  1  0.589221  0.414568  0.346598  1
  Ni  Ni160  1  0.995468  0.299594  0.392670  1
  Ni  Ni161  1  0.243898  0.388888  0.388117  1
  Ni  Ni162  1  0.650771  0.266045  0.433969  1
  Ni  Ni163  1  0.452534  0.050781  0.401034  1
  Ni  Ni164  1  0.045133  0.174260  0.355676  1
  Ni  Ni165  1  0.026959  0.223963  0.436174  1
  Ni  Ni166  1  0.433351  0.104182  0.481921  1
  Ni  Ni167  1  0.318474  0.283613  0.475322  1
  Ni  Ni168  1  0.724677  0.163174  0.521233  1
  Ni  Ni169  1  0.142025  0.045118  0.442622  1
  Ni  Ni170  1  0.548224  0.924713  0.488522  1
  Ni  Ni171  1  0.350678  0.543640  0.495917  1
  Ni  Ni172  1  0.943517  0.662415  0.450061  1
  Ni  Ni173  1  0.923174  0.545868  0.513807  1
  Ni  Ni174  1  0.516029  0.664704  0.467924  1
  Ni  Ni175  1  0.325388  0.465747  0.439126  1
  Ni  Ni176  1  0.731978  0.345360  0.485151  1
  Ni  Ni177  1  0.134725  0.862935  0.478698  1
  Ni  Ni178  1  0.541305  0.742603  0.524725  1
  Ni  Ni179  1  1.007199  0.275788  0.516832  1
  Ni  Ni180  1  0.600354  0.394128  0.471182  1
  Ni  Ni181  1  0.135198  0.334752  0.453788  1
  Ni  Ni182  1  0.541615  0.214384  0.499671  1
  Ni  Ni183  1  0.325092  0.993939  0.464170  1
  Ni  Ni184  1  0.731508  0.873546  0.510065  1
  Ni  Ni185  1  0.162041  0.671895  0.513062  1
  Ni  Ni186  1  0.754785  0.789415  0.467361  1
  Ni  Ni187  1  0.111926  0.418874  0.496494  1
  Ni  Ni188  1  0.704654  0.536426  0.450786  1
  Ni  Ni189  1  0.026594  0.717640  0.494245  1
  Ni  Ni190  1  0.619543  0.835406  0.448471  1
  Ni  Ni191  1  0.247183  0.372899  0.515374  1
  Ni  Ni192  1  0.840098  0.490655  0.469612  1
  Ni  Ni193  1  0.094477  0.627763  0.458335  1
  Ni  Ni194  1  0.501106  0.508060  0.504140  1
  Ni  Ni195  1  0.365614  0.700281  0.459703  1
  Ni  Ni196  1  0.772216  0.580525  0.505521  1
  Ni  Ni197  1  0.951079  0.021906  0.499498  1
  Ni  Ni198  1  0.544335  0.141360  0.453746  1
  Ni  Ni199  1  0.322373  0.066964  0.510097  1
  Ni  Ni200  1  0.915611  0.186398  0.464361  1
  Ni  Ni201  1  0.402337  0.179347  0.438147  1
  Ni  Ni202  1  0.808865  0.059725  0.484084  1
  Ni  Ni203  1  0.057838  0.148573  0.479774  1
  Ni  Ni204  1  0.464365  0.028984  0.525701  1
  Ni  Ni205  1  0.266349  0.814196  0.492660  1
  Ni  Ni206  1  0.859492  0.932505  0.447027  1
  Ni  Ni207  1  0.839728  0.984343  0.527690  1
  Ni  Ni208  1  0.246592  0.867547  0.573681  1
  Ni  Ni209  1  0.131537  0.046036  0.566892  1
  Ni  Ni210  1  0.539609  0.927412  0.613101  1
  Ni  Ni211  1  0.955104  0.806058  0.534200  1
  Ni  Ni212  1  0.361566  0.688034  0.580204  1
  Ni  Ni213  1  0.163443  0.306750  0.586798  1
  Ni  Ni214  1  0.756763  0.423036  0.541623  1
  Ni  Ni215  1  0.738301  0.303966  0.605914  1
  Ni  Ni216  1  0.329426  0.428476  0.559375  1
  Ni  Ni217  1  0.139055  0.228007  0.530862  1
  Ni  Ni218  1  0.545665  0.106243  0.576525  1
  Ni  Ni219  1  0.948200  0.623558  0.570200  1
  Ni  Ni220  1  0.356015  0.506466  0.616471  1
  Ni  Ni221  1  0.821500  0.034115  0.608216  1
  Ni  Ni222  1  0.414138  0.157547  0.562816  1
  Ni  Ni223  1  0.948152  0.095381  0.545244  1
  Ni  Ni224  1  0.355111  0.978542  0.591100  1
  Ni  Ni225  1  0.138602  0.756646  0.555785  1
  Ni  Ni226  1  0.545340  0.634084  0.601852  1
  Ni  Ni227  1  0.976642  0.432678  0.604591  1
  Ni  Ni228  1  0.568744  0.550760  0.559109  1
  Ni  Ni229  1  0.924974  0.179544  0.587777  1
  Ni  Ni230  1  0.518047  0.299042  0.542371  1
  Ni  Ni231  1  0.840878  0.476578  0.585744  1
  Ni  Ni232  1  0.433345  0.598077  0.540139  1
  Ni  Ni233  1  0.059091  0.136037  0.606658  1
  Ni  Ni234  1  0.652824  0.252549  0.561424  1
  Ni  Ni235  1  0.907304  0.388477  0.549755  1
  Ni  Ni236  1  0.315881  0.272073  0.595685  1
  Ni  Ni237  1  0.179240  0.464343  0.551102  1
  Ni  Ni238  1  0.585396  0.336561  0.598324  1
  Ni  Ni239  1  0.765046  0.781470  0.590988  1
  Ni  Ni240  1  0.357974  0.904442  0.545474  1
  Ni  Ni241  1  0.135426  0.831938  0.601652  1
  Ni  Ni242  1  0.728807  0.947249  0.555986  1
  Ni  Ni243  1  0.215946  0.942274  0.529878  1
  Ni  Ni244  1  0.622788  0.819476  0.575720  1
  Ni  Ni245  1  0.871215  0.908741  0.571201  1
  Ni  Ni246  1  0.277498  0.793620  0.617281  1
  Ni  Ni247  1  0.079891  0.576584  0.584253  1
  Ni  Ni248  1  0.673063  0.693258  0.538645  1
  Ni  Ni249  1  0.654579  0.742520  0.619127  1
  Ni  Ni250  1  0.061670  0.625864  0.665394  1
  Ni  Ni251  1  0.946979  0.806287  0.658737  1
  Ni  Ni252  1  0.350020  0.692859  0.701932  1
  Ni  Ni253  1  0.770862  0.565059  0.625228  1
  Ni  Ni254  1  0.177566  0.450506  0.671022  1
  Ni  Ni255  1  0.971339  0.067060  0.679518  1
  Ni  Ni256  1  0.572040  0.184622  0.636611  1
  Ni  Ni257  1  0.553083  0.056943  0.694505  1
  Ni  Ni258  1  0.147195  0.189178  0.653916  1
  Ni  Ni259  1  0.953253  0.988671  0.622573  1
  Ni  Ni260  1  0.357730  0.877406  0.667553  1
  Ni  Ni261  1  0.764106  0.375539  0.660381  1
  Ni  Ni262  1  0.174270  0.261378  0.703979  1
  Ni  Ni263  1  0.635400  0.785814  0.699028  1
  Ni  Ni264  1  0.226849  0.919732  0.654647  1
  Ni  Ni265  1  0.763173  0.853833  0.636977  1
  Ni  Ni266  1  0.167696  0.740989  0.683424  1
  Ni  Ni267  1  0.952993  0.515075  0.647797  1
  Ni  Ni268  1  0.356165  0.403307  0.692860  1
  Ni  Ni269  1  0.790022  0.185155  0.695454  1
  Ni  Ni270  1  0.385277  0.315810  0.650965  1
  Ni  Ni271  1  0.735821  0.940266  0.680342  1
  Ni  Ni272  1  0.331864  0.067353  0.633210  1
  Ni  Ni273  1  0.655153  0.223997  0.677215  1
  Ni  Ni274  1  0.248736  0.360583  0.631817  1
  Ni  Ni275  1  0.872370  0.888529  0.697224  1
  Ni  Ni276  1  0.465611  0.026909  0.654218  1
  Ni  Ni277  1  0.721802  0.142099  0.641644  1
  Ni  Ni278  1  0.119191  0.033245  0.687949  1
  Ni  Ni279  1  0.994491  0.220624  0.643916  1
  Ni  Ni280  1  0.401497  0.101852  0.692106  1
  Ni  Ni281  1  0.575910  0.557844  0.681546  1
  Ni  Ni282  1  0.171180  0.666750  0.637117  1
  Ni  Ni283  1  0.952159  0.591719  0.692833  1
  Ni  Ni284  1  0.542100  0.709066  0.647057  1
  Ni  Ni285  1  0.030729  0.701287  0.621460  1
  Ni  Ni286  1  0.434465  0.585302  0.666780  1
  Ni  Ni287  1  0.687398  0.665370  0.661884  1
  Ni  Ni288  1  0.094464  0.543232  0.706718  1
  Ni  Ni289  1  0.891257  0.338851  0.676378  1
  Ni  Ni290  1  0.488116  0.454662  0.630703  1
