# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71970960
_cell_length_b   22.46402081
_cell_length_c   55.06581195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.01585304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10621.8903822
_cell_formula_units_Z   12
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  0.836297  0.272771  0.370587  1
  Zr  Zr2  1  0.025721  0.921944  0.296859  1
  Zr  Zr3  1  0.929428  0.598462  0.332524  1
  Zr  Zr4  1  0.519650  0.573400  0.293711  1
  Zr  Zr5  1  0.428425  0.242117  0.330824  1
  Zr  Zr6  1  0.327654  0.917698  0.366888  1
  Zr  Zr7  1  0.567096  0.432303  0.347484  1
  Zr  Zr8  1  0.470978  0.105805  0.385482  1
  Zr  Zr9  1  0.656975  0.757369  0.313028  1
  Zr  Zr10  1  0.789531  0.405181  0.312547  1
  Zr  Zr11  1  0.695474  0.083016  0.350474  1
  Zr  Zr12  1  0.885668  0.738437  0.279304  1
  Zr  Zr13  1  0.224791  0.399369  0.301367  1
  Zr  Zr14  1  0.123209  0.071431  0.337869  1
  Zr  Zr15  1  0.021846  0.746224  0.374310  1
  Zr  Zr16  1  0.140724  0.443028  0.362256  1
  Zr  Zr17  1  0.336566  0.099692  0.292477  1
  Zr  Zr18  1  0.233802  0.770778  0.327352  1
  Zr  Zr19  1  0.729688  0.576430  0.383529  1
  Zr  Zr20  1  0.931625  0.227713  0.310537  1
  Zr  Zr21  1  0.825685  0.902660  0.347490  1
  Zr  Zr22  1  0.633754  0.269126  0.282990  1
  Zr  Zr23  1  0.531654  0.938369  0.314822  1
  Zr  Zr24  1  0.431453  0.612161  0.351728  1
  Zr  Zr25  1  0.543146  0.295101  0.480619  1
  Zr  Zr26  1  0.737617  0.946593  0.406962  1
  Zr  Zr27  1  0.639148  0.620183  0.443395  1
  Zr  Zr28  1  0.228896  0.590316  0.402864  1
  Zr  Zr29  1  0.133305  0.265190  0.440369  1
  Zr  Zr30  1  0.034821  0.939263  0.477112  1
  Zr  Zr31  1  0.272618  0.454253  0.458598  1
  Zr  Zr32  1  0.175277  0.128600  0.495560  1
  Zr  Zr33  1  0.368466  0.779825  0.422146  1
  Zr  Zr34  1  0.500043  0.431365  0.425100  1
  Zr  Zr35  1  0.402503  0.105813  0.462108  1
  Zr  Zr36  1  0.596350  0.756960  0.389142  1
  Zr  Zr37  1  0.928146  0.419836  0.409774  1
  Zr  Zr38  1  0.829384  0.094594  0.447334  1
  Zr  Zr39  1  0.730955  0.768458  0.483965  1
  Zr  Zr40  1  0.845531  0.465607  0.473396  1
  Zr  Zr41  1  0.040789  0.117153  0.399836  1
  Zr  Zr42  1  0.942729  0.791020  0.436805  1
  Zr  Zr43  1  0.437520  0.599536  0.494420  1
  Zr  Zr44  1  0.633797  0.251523  0.421441  1
  Zr  Zr45  1  0.535931  0.925819  0.457973  1
  Zr  Zr46  1  0.335797  0.286069  0.389362  1
  Zr  Zr47  1  0.236358  0.960226  0.426346  1
  Zr  Zr48  1  0.138615  0.633958  0.462632  1
  Zr  Zr49  1  0.250683  0.318102  0.591500  1
  Zr  Zr50  1  0.444797  0.969157  0.517280  1
  Zr  Zr51  1  0.346319  0.643231  0.554012  1
  Zr  Zr52  1  0.936509  0.613328  0.513753  1
  Zr  Zr53  1  0.840446  0.288253  0.550952  1
  Zr  Zr54  1  0.742028  0.961814  0.587411  1
  Zr  Zr55  1  0.979577  0.477071  0.569283  1
  Zr  Zr56  1  0.883097  0.151418  0.605191  1
  Zr  Zr57  1  0.077183  0.802600  0.532269  1
  Zr  Zr58  1  0.206987  0.454186  0.535780  1
  Zr  Zr59  1  0.111137  0.128581  0.572194  1
  Zr  Zr60  1  0.304364  0.779812  0.498799  1
  Zr  Zr61  1  0.634098  0.442834  0.520977  1
  Zr  Zr62  1  0.536866  0.117400  0.557567  1
  Zr  Zr63  1  0.438994  0.791219  0.594530  1
  Zr  Zr64  1  0.551443  0.488594  0.584618  1
  Zr  Zr65  1  0.748655  0.139943  0.510405  1
  Zr  Zr66  1  0.650287  0.813837  0.547058  1
  Zr  Zr67  1  0.143876  0.622322  0.605030  1
  Zr  Zr68  1  0.341032  0.274480  0.531722  1
  Zr  Zr69  1  0.243231  0.948170  0.568034  1
  Zr  Zr70  1  0.042108  0.308892  0.499955  1
  Zr  Zr71  1  0.943717  0.982591  0.536423  1
  Zr  Zr72  1  0.845891  0.656909  0.572943  1
  Zr  Zr73  1  0.959592  0.334788  0.700649  1
  Zr  Zr74  1  0.152073  0.990828  0.627596  1
  Zr  Zr75  1  0.051263  0.666237  0.663556  1
  Zr  Zr76  1  0.643441  0.635609  0.623797  1
  Zr  Zr77  1  0.549720  0.309948  0.661886  1
  Zr  Zr78  1  0.458181  0.985836  0.696542  1
  Zr  Zr79  1  0.689843  0.503110  0.681832  1
  Zr  Zr80  1  0.587777  0.169154  0.715069  1
  Zr  Zr81  1  0.785112  0.825611  0.644079  1
  Zr  Zr82  1  0.912485  0.476045  0.646915  1
  Zr  Zr83  1  0.819837  0.150957  0.681480  1
  Zr  Zr84  1  0.008503  0.802522  0.608871  1
  Zr  Zr85  1  0.338908  0.465359  0.632143  1
  Zr  Zr86  1  0.247003  0.137460  0.666816  1
  Zr  Zr87  1  0.143208  0.808736  0.701897  1
  Zr  Zr88  1  0.254781  0.508938  0.692997  1
  Zr  Zr89  1  0.458089  0.162177  0.619891  1
  Zr  Zr90  1  0.356371  0.837172  0.656694  1
  Zr  Zr91  1  0.845903  0.639281  0.711372  1
  Zr  Zr92  1  0.047882  0.296122  0.642629  1
  Zr  Zr93  1  0.948548  0.970050  0.678963  1
  Zr  Zr94  1  0.749875  0.331985  0.610839  1
  Zr  Zr95  1  0.654024  0.005762  0.646772  1
  Zr  Zr96  1  0.548127  0.680691  0.683846  1
  Ni  Ni97  1  0.214014  0.584080  0.311724  1
  Ni  Ni98  1  0.128194  0.257032  0.349957  1
  Ni  Ni99  1  0.316131  0.908351  0.277799  1
  Ni  Ni100  1  0.014741  0.345446  0.332739  1
  Ni  Ni101  1  0.914357  0.019442  0.370531  1
  Ni  Ni102  1  0.108531  0.680089  0.296592  1
  Ni  Ni103  1  0.343762  0.500323  0.328823  1
  Ni  Ni104  1  0.249203  0.169676  0.367194  1
  Ni  Ni105  1  0.440317  0.822867  0.295099  1
  Ni  Ni106  1  0.728656  0.299909  0.326259  1
  Ni  Ni107  1  0.625678  0.973904  0.362109  1
  Ni  Ni108  1  0.822111  0.628296  0.290173  1
  Ni  Ni109  1  0.637882  0.539707  0.334497  1
  Ni  Ni110  1  0.540780  0.214957  0.374517  1
  Ni  Ni111  1  0.735613  0.867812  0.300123  1
  Ni  Ni112  1  0.837315  0.387036  0.363382  1
  Ni  Ni113  1  0.043425  0.038899  0.293176  1
  Ni  Ni114  1  0.929866  0.712955  0.327362  1
  Ni  Ni115  1  0.520678  0.458560  0.300047  1
  Ni  Ni116  1  0.427712  0.128321  0.335854  1
  Ni  Ni117  1  0.325786  0.803132  0.372954  1
  Ni  Ni118  1  0.868945  0.494392  0.352872  1
  Ni  Ni119  1  0.081405  0.148586  0.281813  1
  Ni  Ni120  1  0.964629  0.819829  0.317922  1
  Ni  Ni121  1  0.054318  0.482978  0.319033  1
  Ni  Ni122  1  0.959545  0.158674  0.355081  1
  Ni  Ni123  1  0.152700  0.808341  0.284880  1
  Ni  Ni124  1  0.301268  0.354355  0.343905  1
  Ni  Ni125  1  0.204383  0.028746  0.380861  1
  Ni  Ni126  1  0.393634  0.682447  0.307826  1
  Ni  Ni127  1  0.383840  0.400705  0.384770  1
  Ni  Ni128  1  0.587250  0.050616  0.307442  1
  Ni  Ni129  1  0.475364  0.727957  0.348695  1
  Ni  Ni130  1  0.986715  0.446085  0.277558  1
  Ni  Ni131  1  0.876324  0.110269  0.311641  1
  Ni  Ni132  1  0.776629  0.788577  0.352219  1
  Ni  Ni133  1  0.428945  0.508948  0.373759  1
  Ni  Ni134  1  0.624390  0.160366  0.300606  1
  Ni  Ni135  1  0.526006  0.836662  0.337918  1
  Ni  Ni136  1  0.940803  0.331944  0.288699  1
  Ni  Ni137  1  0.837585  0.004186  0.326498  1
  Ni  Ni138  1  0.733665  0.680508  0.362675  1
  Ni  Ni139  1  0.800309  0.515493  0.300394  1
  Ni  Ni140  1  0.694802  0.191131  0.340090  1
  Ni  Ni141  1  0.593137  0.864127  0.377867  1
  Ni  Ni142  1  0.570941  0.326039  0.359408  1
  Ni  Ni143  1  0.775583  0.981171  0.286767  1
  Ni  Ni144  1  0.666081  0.651042  0.323186  1
  Ni  Ni145  1  0.146760  0.555030  0.356411  1
  Ni  Ni146  1  0.337044  0.214327  0.285751  1
  Ni  Ni147  1  0.247661  0.881915  0.320771  1
  Ni  Ni148  1  0.202179  0.286574  0.306274  1
  Ni  Ni149  1  0.104960  0.960408  0.342117  1
  Ni  Ni150  1  0.010158  0.634399  0.378998  1
  Ni  Ni151  1  0.098115  0.339913  0.380238  1
  Ni  Ni152  1  0.289790  0.991999  0.307307  1
  Ni  Ni153  1  0.191674  0.665825  0.343126  1
  Ni  Ni154  1  0.258763  0.502681  0.284053  1
  Ni  Ni155  1  0.166483  0.173588  0.321250  1
  Ni  Ni156  1  0.066054  0.849929  0.356997  1
  Ni  Ni157  1  0.487387  0.345057  0.309563  1
  Ni  Ni158  1  0.397103  0.020602  0.345726  1
  Ni  Ni159  1  0.291774  0.694818  0.383201  1
  Ni  Ni160  1  0.933707  0.605005  0.423246  1
  Ni  Ni161  1  0.838673  0.280269  0.460636  1
  Ni  Ni162  1  0.032414  0.931697  0.386781  1
  Ni  Ni163  1  0.720768  0.368073  0.443517  1
  Ni  Ni164  1  0.622279  0.042221  0.480435  1
  Ni  Ni165  1  0.815520  0.692643  0.406854  1
  Ni  Ni166  1  0.052523  0.517525  0.440045  1
  Ni  Ni167  1  0.955836  0.192326  0.477394  1
  Ni  Ni168  1  0.149459  0.843978  0.403885  1
  Ni  Ni169  1  0.430590  0.322688  0.436161  1
  Ni  Ni170  1  0.332398  0.996844  0.472932  1
  Ni  Ni171  1  0.526139  0.647469  0.398683  1
  Ni  Ni172  1  0.342134  0.562746  0.447468  1
  Ni  Ni173  1  0.245315  0.237698  0.484935  1
  Ni  Ni174  1  0.438998  0.889007  0.411566  1
  Ni  Ni175  1  0.543451  0.408897  0.474840  1
  Ni  Ni176  1  0.738481  0.060515  0.401364  1
  Ni  Ni177  1  0.640190  0.734399  0.438183  1
  Ni  Ni178  1  0.229501  0.476450  0.408610  1
  Ni  Ni179  1  0.131643  0.151191  0.445926  1
  Ni  Ni180  1  0.033574  0.825263  0.482781  1
  Ni  Ni181  1  0.576502  0.516648  0.463911  1
  Ni  Ni182  1  0.774097  0.168236  0.390584  1
  Ni  Ni183  1  0.673463  0.842786  0.427516  1
  Ni  Ni184  1  0.765961  0.507556  0.429097  1
  Ni  Ni185  1  0.669384  0.182727  0.466510  1
  Ni  Ni186  1  0.862804  0.834344  0.393114  1
  Ni  Ni187  1  0.006735  0.377831  0.454393  1
  Ni  Ni188  1  0.908708  0.051637  0.491129  1
  Ni  Ni189  1  0.102513  0.702532  0.417604  1
  Ni  Ni190  1  0.089129  0.423493  0.495442  1
  Ni  Ni191  1  0.284031  0.075027  0.421758  1
  Ni  Ni192  1  0.185232  0.748741  0.458624  1
  Ni  Ni193  1  0.683588  0.461439  0.388115  1
  Ni  Ni194  1  0.586989  0.137056  0.425589  1
  Ni  Ni195  1  0.487990  0.811102  0.462293  1
  Ni  Ni196  1  0.135327  0.531328  0.484479  1
  Ni  Ni197  1  0.331679  0.183293  0.411286  1
  Ni  Ni198  1  0.232651  0.857182  0.448021  1
  Ni  Ni199  1  0.639152  0.354139  0.399227  1
  Ni  Ni200  1  0.539345  0.028713  0.436209  1
  Ni  Ni201  1  0.440468  0.702473  0.472674  1
  Ni  Ni202  1  0.496438  0.538011  0.413522  1
  Ni  Ni203  1  0.398971  0.212815  0.451021  1
  Ni  Ni204  1  0.301322  0.886919  0.487602  1
  Ni  Ni205  1  0.276209  0.347423  0.470166  1
  Ni  Ni206  1  0.472910  0.998449  0.396591  1
  Ni  Ni207  1  0.373265  0.672379  0.432810  1
  Ni  Ni208  1  0.856853  0.576552  0.467624  1
  Ni  Ni209  1  0.053682  0.228289  0.394054  1
  Ni  Ni210  1  0.954922  0.902687  0.431162  1
  Ni  Ni211  1  0.916290  0.308840  0.416369  1
  Ni  Ni212  1  0.817653  0.983090  0.452888  1
  Ni  Ni213  1  0.718919  0.657037  0.489474  1
  Ni  Ni214  1  0.804061  0.362312  0.490712  1
  Ni  Ni215  1  0.999236  0.013715  0.417038  1
  Ni  Ni216  1  0.900314  0.687237  0.453661  1
  Ni  Ni217  1  0.968118  0.523428  0.392798  1
  Ni  Ni218  1  0.872514  0.198220  0.430297  1
  Ni  Ni219  1  0.773646  0.872194  0.467109  1
  Ni  Ni220  1  0.196866  0.368943  0.419885  1
  Ni  Ni221  1  0.098436  0.043246  0.456724  1
  Ni  Ni222  1  1.000020  0.717093  0.493412  1
  Ni  Ni223  1  0.640976  0.628160  0.533740  1
  Ni  Ni224  1  0.545876  0.303457  0.571122  1
  Ni  Ni225  1  0.739827  0.954199  0.497194  1
  Ni  Ni226  1  0.427089  0.390930  0.554327  1
  Ni  Ni227  1  0.330123  0.064341  0.590486  1
  Ni  Ni228  1  0.523799  0.716100  0.516976  1
  Ni  Ni229  1  0.758844  0.540351  0.550864  1
  Ni  Ni230  1  0.664212  0.215889  0.587451  1
  Ni  Ni231  1  0.857335  0.866170  0.513938  1
  Ni  Ni232  1  0.137482  0.345694  0.546902  1
  Ni  Ni233  1  0.040674  0.019420  0.582878  1
  Ni  Ni234  1  0.234319  0.670725  0.509433  1
  Ni  Ni235  1  0.049042  0.585736  0.558221  1
  Ni  Ni236  1  0.953489  0.260966  0.595631  1
  Ni  Ni237  1  0.147209  0.911564  0.521450  1
  Ni  Ni238  1  0.250107  0.431969  0.585774  1
  Ni  Ni239  1  0.446032  0.083150  0.511589  1
  Ni  Ni240  1  0.348038  0.757227  0.548447  1
  Ni  Ni241  1  0.936171  0.499542  0.519539  1
  Ni  Ni242  1  0.839478  0.174020  0.556161  1
  Ni  Ni243  1  0.741192  0.847896  0.593082  1
  Ni  Ni244  1  0.282751  0.539472  0.574499  1
  Ni  Ni245  1  0.479599  0.191321  0.500946  1
  Ni  Ni246  1  0.381193  0.865157  0.537661  1
  Ni  Ni247  1  0.472888  0.530594  0.539985  1
  Ni  Ni248  1  0.377029  0.205960  0.576734  1
  Ni  Ni249  1  0.570909  0.856753  0.503249  1
  Ni  Ni250  1  0.713643  0.400897  0.565280  1
  Ni  Ni251  1  0.616753  0.073969  0.601263  1
  Ni  Ni252  1  0.810259  0.725703  0.527867  1
  Ni  Ni253  1  0.796015  0.446980  0.606273  1
  Ni  Ni254  1  0.991630  0.097305  0.532060  1
  Ni  Ni255  1  0.892615  0.771355  0.568783  1
  Ni  Ni256  1  0.390493  0.484947  0.498936  1
  Ni  Ni257  1  0.294380  0.159673  0.535730  1
  Ni  Ni258  1  0.195647  0.833381  0.572645  1
  Ni  Ni259  1  0.840464  0.554279  0.595157  1
  Ni  Ni260  1  0.039143  0.205933  0.521678  1
  Ni  Ni261  1  0.940270  0.879676  0.558178  1
  Ni  Ni262  1  0.344294  0.377121  0.509896  1
  Ni  Ni263  1  0.246940  0.051217  0.546358  1
  Ni  Ni264  1  0.148104  0.725109  0.583097  1
  Ni  Ni265  1  0.203420  0.561009  0.524212  1
  Ni  Ni266  1  0.106388  0.236053  0.561522  1
  Ni  Ni267  1  0.006961  0.909940  0.597784  1
  Ni  Ni268  1  0.983132  0.370433  0.580838  1
  Ni  Ni269  1  0.178295  0.021501  0.506786  1
  Ni  Ni270  1  0.080671  0.695600  0.543354  1
  Ni  Ni271  1  0.563364  0.599576  0.578005  1
  Ni  Ni272  1  0.760704  0.251376  0.504895  1
  Ni  Ni273  1  0.661945  0.925336  0.541496  1
  Ni  Ni274  1  0.622763  0.331904  0.526741  1
  Ni  Ni275  1  0.524702  0.005696  0.563242  1
  Ni  Ni276  1  0.426081  0.680137  0.600347  1
  Ni  Ni277  1  0.511424  0.384990  0.601580  1
  Ni  Ni278  1  0.705966  0.036206  0.527257  1
  Ni  Ni279  1  0.607125  0.710196  0.564088  1
  Ni  Ni280  1  0.675583  0.546123  0.503665  1
  Ni  Ni281  1  0.579267  0.221198  0.540691  1
  Ni  Ni282  1  0.480402  0.894648  0.577348  1
  Ni  Ni283  1  0.903118  0.391804  0.530467  1
  Ni  Ni284  1  0.806147  0.065614  0.566835  1
  Ni  Ni285  1  0.705602  0.740169  0.603817  1
  Ni  Ni286  1  0.351737  0.651412  0.644423  1
  Ni  Ni287  1  0.263898  0.323929  0.682622  1
  Ni  Ni288  1  0.446947  0.976655  0.607571  1
  Ni  Ni289  1  0.135642  0.408053  0.665536  1
  Ni  Ni290  1  0.038066  0.086649  0.699044  1
  Ni  Ni291  1  0.230721  0.738756  0.627178  1
  Ni  Ni292  1  0.464866  0.562949  0.661645  1
  Ni  Ni293  1  0.369112  0.227911  0.697703  1
  Ni  Ni294  1  0.565237  0.888799  0.623874  1
  Ni  Ni295  1  0.841537  0.368613  0.659868  1
  Ni  Ni296  1  0.744720  0.040411  0.694076  1
  Ni  Ni297  1  0.938995  0.693447  0.619884  1
  Ni  Ni298  1  0.750973  0.608443  0.668122  1
  Ni  Ni299  1  0.656775  0.279469  0.704173  1
  Ni  Ni300  1  0.853953  0.934439  0.632217  1
  Ni  Ni301  1  0.958753  0.449680  0.694355  1
  Ni  Ni302  1  0.153629  0.105321  0.621320  1
  Ni  Ni303  1  0.052201  0.780013  0.658500  1
  Ni  Ni304  1  0.642319  0.521359  0.631005  1
  Ni  Ni305  1  0.549366  0.195571  0.666896  1
  Ni  Ni306  1  0.436909  0.869536  0.701400  1
  Ni  Ni307  1  0.992174  0.563259  0.684820  1
  Ni  Ni308  1  0.187656  0.213604  0.611150  1
  Ni  Ni309  1  0.082859  0.887853  0.648694  1
  Ni  Ni310  1  0.178389  0.554068  0.650474  1
  Ni  Ni311  1  0.084601  0.225159  0.686510  1
  Ni  Ni312  1  0.275207  0.879492  0.613554  1
  Ni  Ni313  1  0.424959  0.425106  0.675380  1
  Ni  Ni314  1  0.323936  0.097172  0.709255  1
  Ni  Ni315  1  0.520459  0.749961  0.639317  1
  Ni  Ni316  1  0.492649  0.462268  0.716822  1
  Ni  Ni317  1  0.702760  0.119857  0.642149  1
  Ni  Ni318  1  0.603541  0.798209  0.682785  1
  Ni  Ni319  1  0.095761  0.507668  0.609626  1
  Ni  Ni320  1  1.003814  0.180285  0.645711  1
  Ni  Ni321  1  0.892762  0.858079  0.687022  1
  Ni  Ni322  1  0.538793  0.576443  0.705684  1
  Ni  Ni323  1  0.745950  0.227923  0.631635  1
  Ni  Ni324  1  0.642488  0.904348  0.667907  1
  Ni  Ni325  1  0.050650  0.399397  0.620613  1
  Ni  Ni326  1  0.953633  0.071904  0.656455  1
  Ni  Ni327  1  0.855560  0.748128  0.693753  1
  Ni  Ni328  1  0.908705  0.582313  0.634979  1
  Ni  Ni329  1  0.813180  0.257295  0.671129  1
  Ni  Ni330  1  0.705838  0.927515  0.707525  1
  Ni  Ni331  1  0.679341  0.392705  0.694022  1
  Ni  Ni332  1  0.886728  0.044194  0.616591  1
  Ni  Ni333  1  0.784826  0.717272  0.654282  1
  Ni  Ni334  1  0.277481  0.621800  0.688108  1
  Ni  Ni335  1  0.469294  0.274017  0.615398  1
  Ni  Ni336  1  0.374133  0.947961  0.652133  1
  Ni  Ni337  1  0.332507  0.353324  0.637963  1
  Ni  Ni338  1  0.231761  0.025957  0.673793  1
  Ni  Ni339  1  0.142568  0.694125  0.708596  1
  Ni  Ni340  1  0.220391  0.405597  0.710308  1
  Ni  Ni341  1  0.413222  0.058425  0.637468  1
  Ni  Ni342  1  0.313325  0.734777  0.673109  1
  Ni  Ni343  1  0.381548  0.568501  0.614147  1
  Ni  Ni344  1  0.287389  0.242498  0.651219  1
  Ni  Ni345  1  0.190513  0.916447  0.687072  1
  Ni  Ni346  1  0.610524  0.413976  0.641506  1
  Ni  Ni347  1  0.514508  0.088524  0.676442  1
  Ni  Ni348  1  0.398247  0.759780  0.712557  1
