# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69727465
_cell_length_b   24.35562975
_cell_length_c   50.72672794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.46680949
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   9448.08386409
_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  0.285373  0.144341  0.330316  1
  Zr  Zr2  1  0.811450  0.478554  0.368385  1
  Zr  Zr3  1  0.698901  0.794069  0.289375  1
  Zr  Zr4  1  0.229170  0.314867  0.335019  1
  Zr  Zr5  1  0.118611  0.633551  0.254834  1
  Zr  Zr6  1  0.512761  0.976687  0.292091  1
  Zr  Zr7  1  0.762819  0.247612  0.306558  1
  Zr  Zr8  1  0.284806  0.583295  0.346063  1
  Zr  Zr9  1  0.031334  0.906212  0.266295  1
  Zr  Zr10  1  0.754699  0.207766  0.359669  1
  Zr  Zr11  1  0.645931  0.527299  0.268598  1
  Zr  Zr12  1  0.191170  0.857452  0.317369  1
  Zr  Zr13  1  0.977597  0.065318  0.282607  1
  Zr  Zr14  1  0.696482  0.403379  0.321817  1
  Zr  Zr15  1  0.226110  0.742061  0.365166  1
  Zr  Zr16  1  0.696395  0.357125  0.258250  1
  Zr  Zr17  1  0.236088  0.708728  0.298143  1
  Zr  Zr18  1  0.817300  0.050637  0.340782  1
  Zr  Zr19  1  0.443661  0.151185  0.272607  1
  Zr  Zr20  1  0.171086  0.489656  0.307313  1
  Zr  Zr21  1  0.700138  0.829463  0.354222  1
  Zr  Zr22  1  0.242866  0.277039  0.269555  1
  Zr  Zr23  1  0.761293  0.616472  0.309419  1
  Zr  Zr24  1  0.341643  0.962558  0.351968  1
  Zr  Zr25  1  0.088817  0.163848  0.455366  1
  Zr  Zr26  1  0.648269  0.507640  0.494869  1
  Zr  Zr27  1  0.531433  0.818996  0.413219  1
  Zr  Zr28  1  0.874044  0.340361  0.459088  1
  Zr  Zr29  1  0.756942  0.647961  0.375144  1
  Zr  Zr30  1  0.337079  0.996358  0.416305  1
  Zr  Zr31  1  0.392430  0.274006  0.433286  1
  Zr  Zr32  1  0.122169  0.611049  0.471999  1
  Zr  Zr33  1  0.850913  0.932491  0.387733  1
  Zr  Zr34  1  0.572428  0.226997  0.484384  1
  Zr  Zr35  1  0.280731  0.544706  0.397876  1
  Zr  Zr36  1  0.016999  0.883782  0.440853  1
  Zr  Zr37  1  0.797961  0.087673  0.406800  1
  Zr  Zr38  1  0.334249  0.430785  0.448131  1
  Zr  Zr39  1  0.058145  0.768321  0.490077  1
  Zr  Zr40  1  0.346725  0.389819  0.381138  1
  Zr  Zr41  1  0.070275  0.727233  0.423122  1
  Zr  Zr42  1  0.628814  0.071933  0.465313  1
  Zr  Zr43  1  0.267932  0.175168  0.395665  1
  Zr  Zr44  1  0.801768  0.515380  0.435459  1
  Zr  Zr45  1  0.531919  0.855131  0.477563  1
  Zr  Zr46  1  0.872868  0.302203  0.394301  1
  Zr  Zr47  1  0.602411  0.642279  0.434051  1
  Zr  Zr48  1  0.159180  0.985496  0.476053  1
  Zr  Zr49  1  0.904087  0.188111  0.580053  1
  Zr  Zr50  1  0.484226  0.536539  0.621182  1
  Zr  Zr51  1  0.367109  0.844109  0.537236  1
  Zr  Zr52  1  0.709594  0.365490  0.583102  1
  Zr  Zr53  1  0.592741  0.676847  0.501455  1
  Zr  Zr54  1  0.152284  0.020640  0.540966  1
  Zr  Zr55  1  0.224061  0.300643  0.555515  1
  Zr  Zr56  1  0.960446  0.639763  0.598453  1
  Zr  Zr57  1  0.668636  0.957481  0.511963  1
  Zr  Zr58  1  0.390110  0.252037  0.608767  1
  Zr  Zr59  1  0.118842  0.573428  0.524333  1
  Zr  Zr60  1  0.848668  0.910509  0.563062  1
  Zr  Zr61  1  0.612213  0.112599  0.531067  1
  Zr  Zr62  1  0.170714  0.457293  0.573176  1
  Zr  Zr63  1  0.894489  0.794694  0.615210  1
  Zr  Zr64  1  0.182872  0.416167  0.506245  1
  Zr  Zr65  1  0.906892  0.753672  0.548194  1
  Zr  Zr66  1  0.443047  0.096833  0.589548  1
  Zr  Zr67  1  0.081843  0.198989  0.520300  1
  Zr  Zr68  1  0.638617  0.542200  0.562280  1
  Zr  Zr69  1  0.368188  0.882235  0.602011  1
  Zr  Zr70  1  0.709133  0.329334  0.518766  1
  Zr  Zr71  1  0.439357  0.669098  0.560868  1
  Zr  Zr72  1  0.973195  0.009354  0.600662  1
  Zr  Zr73  1  0.727819  0.207286  0.704603  1
  Zr  Zr74  1  0.123332  0.550654  0.741451  1
  Zr  Zr75  1  0.012279  0.869626  0.661294  1
  Zr  Zr76  1  0.542772  0.390100  0.706900  1
  Zr  Zr77  1  0.429795  0.705946  0.627956  1
  Zr  Zr78  1  0.955527  0.040270  0.666051  1
  Zr  Zr79  1  0.048993  0.326701  0.678864  1
  Zr  Zr80  1  0.595546  0.657174  0.727714  1
  Zr  Zr81  1  0.486280  0.976508  0.636582  1
  Zr  Zr82  1  0.207232  0.280315  0.729807  1
  Zr  Zr83  1  0.956348  0.601204  0.650265  1
  Zr  Zr84  1  0.478671  0.937518  0.689904  1
  Zr  Zr85  1  0.424792  0.133906  0.655606  1
  Zr  Zr86  1  1.004895  0.475763  0.698138  1
  Zr  Zr87  1  0.545019  0.827426  0.738111  1
  Zr  Zr88  1  0.014898  0.442463  0.631117  1
  Zr  Zr89  1  0.544957  0.781122  0.674517  1
  Zr  Zr90  1  0.263821  0.118958  0.713237  1
  Zr  Zr91  1  0.898357  0.221638  0.644413  1
  Zr  Zr92  1  0.479815  0.567892  0.686901  1
  Zr  Zr93  1  0.998489  0.907451  0.726771  1
  Zr  Zr94  1  0.541227  0.355037  0.642056  1
  Zr  Zr95  1  0.070398  0.694832  0.689030  1
  Zr  Zr96  1  0.798183  0.032398  0.722919  1
  Ni  Ni97  1  0.474764  0.046891  0.249609  1
  Ni  Ni98  1  0.210270  0.383384  0.287374  1
  Ni  Ni99  1  0.729133  0.721939  0.332228  1
  Ni  Ni100  1  0.007926  0.121480  0.368256  1
  Ni  Ni101  1  0.891136  0.435144  0.280015  1
  Ni  Ni102  1  0.440592  0.774185  0.325855  1
  Ni  Ni103  1  0.496690  0.331032  0.296312  1
  Ni  Ni104  1  0.033988  0.671376  0.338417  1
  Ni  Ni105  1  0.786323  0.994032  0.255787  1
  Ni  Ni106  1  0.074532  0.224130  0.356891  1
  Ni  Ni107  1  0.970529  0.541685  0.271539  1
  Ni  Ni108  1  0.515754  0.877789  0.315065  1
  Ni  Ni109  1  0.435138  0.232088  0.308517  1
  Ni  Ni110  1  0.965133  0.567320  0.346317  1
  Ni  Ni111  1  0.708766  0.895548  0.272410  1
  Ni  Ni112  1  0.954675  0.144087  0.319948  1
  Ni  Ni113  1  0.476097  0.479807  0.359966  1
  Ni  Ni114  1  0.360129  0.797548  0.278145  1
  Ni  Ni115  1  0.563985  0.313128  0.343086  1
  Ni  Ni116  1  0.465172  0.629493  0.256541  1
  Ni  Ni117  1  0.854393  0.972744  0.301507  1
  Ni  Ni118  1  0.627388  0.144804  0.319673  1
  Ni  Ni119  1  0.147785  0.477613  0.358875  1
  Ni  Ni120  1  0.023524  0.799354  0.278350  1
  Ni  Ni121  1  0.565205  0.121686  0.367519  1
  Ni  Ni122  1  0.475764  0.436234  0.281686  1
  Ni  Ni123  1  0.990022  0.774296  0.325907  1
  Ni  Ni124  1  0.948128  0.333798  0.295328  1
  Ni  Ni125  1  0.470326  0.671796  0.337135  1
  Ni  Ni126  1  0.212621  0.993015  0.257033  1
  Ni  Ni127  1  0.918817  0.257130  0.261689  1
  Ni  Ni128  1  0.429705  0.605269  0.300851  1
  Ni  Ni129  1  0.012500  0.945213  0.343418  1
  Ni  Ni130  1  0.780841  0.161565  0.276394  1
  Ni  Ni131  1  0.504418  0.507847  0.314656  1
  Ni  Ni132  1  0.032401  0.846449  0.362626  1
  Ni  Ni133  1  0.583940  0.250672  0.263086  1
  Ni  Ni134  1  0.102500  0.603285  0.302020  1
  Ni  Ni135  1  0.679176  0.947586  0.341547  1
  Ni  Ni136  1  0.103649  0.166167  0.277207  1
  Ni  Ni137  1  0.827662  0.505540  0.315242  1
  Ni  Ni138  1  0.363922  0.845450  0.363549  1
  Ni  Ni139  1  0.423025  0.224995  0.357083  1
  Ni  Ni140  1  0.312348  0.542092  0.271013  1
  Ni  Ni141  1  0.858012  0.875987  0.314614  1
  Ni  Ni142  1  0.091344  0.234865  0.309647  1
  Ni  Ni143  1  0.617199  0.567888  0.348413  1
  Ni  Ni144  1  0.369387  0.895110  0.271981  1
  Ni  Ni145  1  0.018832  0.383517  0.373333  1
  Ni  Ni146  1  0.913955  0.698903  0.292749  1
  Ni  Ni147  1  0.489000  0.049973  0.331763  1
  Ni  Ni148  1  0.301171  0.066147  0.291289  1
  Ni  Ni149  1  0.023795  0.409826  0.328084  1
  Ni  Ni150  1  0.889475  0.729385  0.249502  1
  Ni  Ni151  1  0.024749  0.356046  0.249326  1
  Ni  Ni152  1  0.568953  0.700802  0.288821  1
  Ni  Ni153  1  0.143592  0.048750  0.332443  1
  Ni  Ni154  1  0.647152  0.068294  0.289722  1
  Ni  Ni155  1  0.367202  0.409739  0.329190  1
  Ni  Ni156  1  0.897245  0.743544  0.372864  1
  Ni  Ni157  1  0.893918  0.314973  0.343708  1
  Ni  Ni158  1  0.782462  0.634936  0.260121  1
  Ni  Ni159  1  0.175169  0.970400  0.302961  1
  Ni  Ni160  1  0.305881  0.070163  0.373147  1
  Ni  Ni161  1  0.835882  0.409828  0.413949  1
  Ni  Ni162  1  0.567702  0.746885  0.457074  1
  Ni  Ni163  1  0.824794  0.143179  0.493248  1
  Ni  Ni164  1  0.543798  0.460585  0.407814  1
  Ni  Ni165  1  0.268397  0.799041  0.451125  1
  Ni  Ni166  1  0.138977  0.359040  0.420965  1
  Ni  Ni167  1  0.866400  0.696156  0.462357  1
  Ni  Ni168  1  0.602607  0.018021  0.378535  1
  Ni  Ni169  1  0.893153  0.244547  0.480451  1
  Ni  Ni170  1  0.605681  0.560168  0.396069  1
  Ni  Ni171  1  0.338384  0.900529  0.437696  1
  Ni  Ni172  1  0.069237  0.259755  0.434836  1
  Ni  Ni173  1  0.797443  0.596835  0.473566  1
  Ni  Ni174  1  0.529725  0.914926  0.391152  1
  Ni  Ni175  1  0.753515  0.163244  0.446073  1
  Ni  Ni176  1  0.314933  0.509618  0.485827  1
  Ni  Ni177  1  0.195351  0.819205  0.403664  1
  Ni  Ni178  1  0.208172  0.339774  0.468602  1
  Ni  Ni179  1  0.089421  0.648685  0.385695  1
  Ni  Ni180  1  0.673056  0.996133  0.426049  1
  Ni  Ni181  1  0.428814  0.165954  0.444856  1
  Ni  Ni182  1  0.986424  0.509023  0.485313  1
  Ni  Ni183  1  0.869013  0.821882  0.402498  1
  Ni  Ni184  1  0.376806  0.143899  0.492145  1
  Ni  Ni185  1  0.096901  0.458391  0.406996  1
  Ni  Ni186  1  0.824872  0.799051  0.450074  1
  Ni  Ni187  1  0.579637  0.359836  0.421885  1
  Ni  Ni188  1  0.306637  0.698420  0.463479  1
  Ni  Ni189  1  0.048243  0.017491  0.379567  1
  Ni  Ni190  1  0.539250  0.288061  0.388081  1
  Ni  Ni191  1  0.276581  0.627851  0.427873  1
  Ni  Ni192  1  0.829210  0.968458  0.467203  1
  Ni  Ni193  1  0.597401  0.191625  0.404816  1
  Ni  Ni194  1  0.128915  0.529218  0.442170  1
  Ni  Ni195  1  0.863167  0.871742  0.486617  1
  Ni  Ni196  1  0.211871  0.286783  0.387227  1
  Ni  Ni197  1  0.944046  0.622788  0.427503  1
  Ni  Ni198  1  0.496156  0.969890  0.466003  1
  Ni  Ni199  1  0.927583  0.189559  0.406246  1
  Ni  Ni200  1  0.460471  0.533554  0.442324  1
  Ni  Ni201  1  0.194578  0.870982  0.487025  1
  Ni  Ni202  1  0.233493  0.244496  0.480561  1
  Ni  Ni203  1  0.952717  0.557043  0.393366  1
  Ni  Ni204  1  0.681516  0.900177  0.436820  1
  Ni  Ni205  1  0.730178  0.258765  0.435491  1
  Ni  Ni206  1  0.451998  0.599246  0.475656  1
  Ni  Ni207  1  0.186197  0.915593  0.392024  1
  Ni  Ni208  1  0.854863  0.414338  0.497477  1
  Ni  Ni209  1  0.744784  0.727088  0.414712  1
  Ni  Ni210  1  0.301604  0.072256  0.455806  1
  Ni  Ni211  1  0.124079  0.088741  0.415328  1
  Ni  Ni212  1  0.660466  0.431483  0.456238  1
  Ni  Ni213  1  0.552880  0.742743  0.374119  1
  Ni  Ni214  1  0.674334  0.383498  0.373258  1
  Ni  Ni215  1  0.399431  0.724698  0.415839  1
  Ni  Ni216  1  0.956746  0.069662  0.457145  1
  Ni  Ni217  1  0.469757  0.090200  0.414318  1
  Ni  Ni218  1  1.004938  0.433643  0.454829  1
  Ni  Ni219  1  0.730972  0.769780  0.497126  1
  Ni  Ni220  1  0.537335  0.337530  0.469695  1
  Ni  Ni221  1  0.416964  0.648299  0.384676  1
  Ni  Ni222  1  0.999715  0.992825  0.426984  1
  Ni  Ni223  1  0.120504  0.092244  0.498172  1
  Ni  Ni224  1  0.673306  0.437582  0.539246  1
  Ni  Ni225  1  0.405321  0.774645  0.582392  1
  Ni  Ni226  1  0.638463  0.166451  0.617865  1
  Ni  Ni227  1  0.374665  0.488333  0.533962  1
  Ni  Ni228  1  0.102138  0.825403  0.575350  1
  Ni  Ni229  1  0.972630  0.385420  0.545198  1
  Ni  Ni230  1  0.697416  0.723876  0.588518  1
  Ni  Ni231  1  0.416266  0.041322  0.503106  1
  Ni  Ni232  1  0.711336  0.269512  0.605132  1
  Ni  Ni233  1  0.443568  0.587656  0.522758  1
  Ni  Ni234  1  0.171897  0.924699  0.561476  1
  Ni  Ni235  1  0.902582  0.283959  0.558669  1
  Ni  Ni236  1  0.635469  0.624324  0.600266  1
  Ni  Ni237  1  0.347939  0.939939  0.515889  1
  Ni  Ni238  1  0.567934  0.188444  0.570365  1
  Ni  Ni239  1  0.151725  0.535817  0.610617  1
  Ni  Ni240  1  0.032934  0.844709  0.527733  1
  Ni  Ni241  1  0.045722  0.365270  0.592634  1
  Ni  Ni242  1  0.926086  0.674860  0.510493  1
  Ni  Ni243  1  0.487553  0.021253  0.550268  1
  Ni  Ni244  1  0.241401  0.191676  0.569403  1
  Ni  Ni245  1  0.824140  0.536196  0.611650  1
  Ni  Ni246  1  0.703815  0.846942  0.526636  1
  Ni  Ni247  1  0.192661  0.166893  0.616823  1
  Ni  Ni248  1  0.934315  0.486057  0.532841  1
  Ni  Ni249  1  0.661553  0.824615  0.574441  1
  Ni  Ni250  1  0.416068  0.385435  0.546244  1
  Ni  Ni251  1  0.144263  0.726089  0.589343  1
  Ni  Ni252  1  0.864195  0.040594  0.504216  1
  Ni  Ni253  1  0.377864  0.312734  0.509722  1
  Ni  Ni254  1  0.112185  0.655279  0.554153  1
  Ni  Ni255  1  0.643651  0.992864  0.591518  1
  Ni  Ni256  1  0.411854  0.216010  0.529153  1
  Ni  Ni257  1  0.964420  0.556625  0.568451  1
  Ni  Ni258  1  0.701837  0.896304  0.608231  1
  Ni  Ni259  1  0.046533  0.313494  0.509313  1
  Ni  Ni260  1  0.780635  0.650920  0.554004  1
  Ni  Ni261  1  0.313399  0.994939  0.590066  1
  Ni  Ni262  1  0.744856  0.214590  0.530372  1
  Ni  Ni263  1  0.297006  0.561725  0.568821  1
  Ni  Ni264  1  0.029469  0.897684  0.609057  1
  Ni  Ni265  1  0.054833  0.268860  0.604354  1
  Ni  Ni266  1  0.788996  0.585241  0.520665  1
  Ni  Ni267  1  0.510942  0.925720  0.560860  1
  Ni  Ni268  1  0.559429  0.284336  0.559527  1
  Ni  Ni269  1  0.288477  0.627456  0.602976  1
  Ni  Ni270  1  0.007571  0.939986  0.515786  1
  Ni  Ni271  1  0.688154  0.441747  0.622192  1
  Ni  Ni272  1  0.580659  0.752999  0.540093  1
  Ni  Ni273  1  0.116941  0.095750  0.581010  1
  Ni  Ni274  1  0.939427  0.112217  0.540553  1
  Ni  Ni275  1  0.496238  0.457396  0.581605  1
  Ni  Ni276  1  0.386160  0.770130  0.498848  1
  Ni  Ni277  1  0.510060  0.414694  0.499199  1
  Ni  Ni278  1  0.236211  0.750832  0.541502  1
  Ni  Ni279  1  0.771218  0.094304  0.582080  1
  Ni  Ni280  1  0.284256  0.114849  0.539213  1
  Ni  Ni281  1  0.841599  0.459771  0.580481  1
  Ni  Ni282  1  0.566916  0.801023  0.623088  1
  Ni  Ni283  1  0.372039  0.362609  0.593806  1
  Ni  Ni284  1  0.254594  0.675462  0.511010  1
  Ni  Ni285  1  0.812204  0.018573  0.551499  1
  Ni  Ni286  1  0.934877  0.114310  0.623239  1
  Ni  Ni287  1  0.512104  0.462361  0.664108  1
  Ni  Ni288  1  0.031234  0.801181  0.708937  1
  Ni  Ni289  1  0.437442  0.192632  0.740092  1
  Ni  Ni290  1  0.207292  0.513127  0.657878  1
  Ni  Ni291  1  0.744335  0.853506  0.700050  1
  Ni  Ni292  1  0.800754  0.410140  0.670439  1
  Ni  Ni293  1  0.350344  0.749405  0.716314  1
  Ni  Ni294  1  0.233058  0.062994  0.628078  1
  Ni  Ni295  1  0.531187  0.288454  0.723586  1
  Ni  Ni296  1  0.276092  0.617186  0.650030  1
  Ni  Ni297  1  0.806108  0.952098  0.687572  1
  Ni  Ni298  1  0.725088  0.305987  0.681262  1
  Ni  Ni299  1  0.270910  0.642702  0.724754  1
  Ni  Ni300  1  0.166290  0.960390  0.639494  1
  Ni  Ni301  1  0.384936  0.212070  0.694640  1
  Ni  Ni302  1  0.776784  0.554762  0.739718  1
  Ni  Ni303  1  0.677186  0.871526  0.653310  1
  Ni  Ni304  1  0.881480  0.386766  0.718157  1
  Ni  Ni305  1  0.765132  0.704705  0.636371  1
  Ni  Ni306  1  0.286543  0.040191  0.676286  1
  Ni  Ni307  1  0.064584  0.214410  0.693028  1
  Ni  Ni308  1  0.459375  0.549601  0.736183  1
  Ni  Ni309  1  0.347609  0.869552  0.652625  1
  Ni  Ni310  1  0.039534  0.192702  0.738315  1
  Ni  Ni311  1  0.770804  0.512580  0.659197  1
  Ni  Ni312  1  0.293826  0.850786  0.700993  1
  Ni  Ni313  1  0.250689  0.410163  0.670363  1
  Ni  Ni314  1  0.765683  0.748312  0.714654  1
  Ni  Ni315  1  0.675641  0.062795  0.628856  1
  Ni  Ni316  1  0.208591  0.338252  0.633649  1
  Ni  Ni317  1  0.737025  0.676702  0.681674  1
  Ni  Ni318  1  0.460450  0.023353  0.720116  1
  Ni  Ni319  1  0.227932  0.239254  0.652763  1
  Ni  Ni320  1  0.811237  0.579254  0.695437  1
  Ni  Ni321  1  0.322554  0.927436  0.734689  1
  Ni  Ni322  1  0.877157  0.338990  0.632703  1
  Ni  Ni323  1  0.413831  0.678962  0.681093  1
  Ni  Ni324  1  0.137902  0.018472  0.719130  1
  Ni  Ni325  1  0.562108  0.236425  0.655055  1
  Ni  Ni326  1  0.138570  0.581106  0.694295  1
  Ni  Ni327  1  0.657642  0.934059  0.733260  1
  Ni  Ni328  1  0.870215  0.289086  0.724270  1
  Ni  Ni329  1  0.624032  0.616593  0.647937  1
  Ni  Ni330  1  0.149782  0.949628  0.686722  1
  Ni  Ni331  1  0.382651  0.308538  0.681426  1
  Ni  Ni332  1  0.929197  0.642264  0.725306  1
  Ni  Ni333  1  0.818193  0.959479  0.639117  1
  Ni  Ni334  1  0.353900  0.455200  0.746865  1
  Ni  Ni335  1  0.217568  0.774742  0.668263  1
  Ni  Ni336  1  0.939522  0.118811  0.705268  1
  Ni  Ni337  1  0.752126  0.134461  0.664880  1
  Ni  Ni338  1  0.327323  0.485417  0.703574  1
  Ni  Ni339  1  0.222414  0.800946  0.623001  1
  Ni  Ni340  1  0.343803  0.440960  0.623426  1
  Ni  Ni341  1  0.874221  0.774775  0.667154  1
  Ni  Ni342  1  0.593322  0.116708  0.707066  1
  Ni  Ni343  1  0.097095  0.135643  0.663990  1
  Ni  Ni344  1  0.672264  0.483496  0.707502  1
  Ni  Ni345  1  0.216734  0.828491  0.746982  1
  Ni  Ni346  1  0.217618  0.386217  0.717919  1
  Ni  Ni347  1  0.093429  0.706867  0.637464  1
  Ni  Ni348  1  0.613342  0.040118  0.676737  1
