# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.24919108
_cell_length_b   11.28583709
_cell_length_c   50.06230954
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.72034172
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10626.8745467
_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  0.083276  0.533329  0.298092  1
  Zr  Zr2  1  0.666905  0.846883  0.368428  1
  Zr  Zr3  1  0.377616  0.683328  0.334790  1
  Zr  Zr4  1  0.201007  0.389384  0.376613  1
  Zr  Zr5  1  0.908076  0.234412  0.339727  1
  Zr  Zr6  1  0.611928  0.085091  0.304584  1
  Zr  Zr7  1  0.061051  0.906392  0.301010  1
  Zr  Zr8  1  0.645207  0.229302  0.376764  1
  Zr  Zr9  1  0.352748  0.074090  0.339494  1
  Zr  Zr10  1  0.223154  1.001757  0.365578  1
  Zr  Zr11  1  0.932651  0.843236  0.330569  1
  Zr  Zr12  1  0.657550  0.702289  0.293299  1
  Zr  Zr13  1  0.262580  0.298789  0.292085  1
  Zr  Zr14  1  0.849052  0.616611  0.364314  1
  Zr  Zr15  1  0.554027  0.463827  0.328188  1
  Zr  Zr16  1  0.021467  0.611182  0.380536  1
  Zr  Zr17  1  0.728399  0.458865  0.344001  1
  Zr  Zr18  1  0.436139  0.296936  0.305847  1
  Zr  Zr19  1  0.206610  0.683646  0.316532  1
  Zr  Zr20  1  0.911529  0.544801  0.281988  1
  Zr  Zr21  1  0.496159  0.849113  0.353529  1
  Zr  Zr22  1  0.079211  0.225450  0.352316  1
  Zr  Zr23  1  0.788339  0.082695  0.313727  1
  Zr  Zr24  1  0.372764  0.380846  0.390841  1
  Zr  Zr25  1  0.959020  0.997727  0.404717  1
  Zr  Zr26  1  0.546222  0.309453  0.479381  1
  Zr  Zr27  1  0.251902  0.152731  0.442001  1
  Zr  Zr28  1  0.079261  0.857386  0.487819  1
  Zr  Zr29  1  0.786431  0.702486  0.450626  1
  Zr  Zr30  1  0.494413  0.547173  0.414222  1
  Zr  Zr31  1  0.939785  0.386040  0.414915  1
  Zr  Zr32  1  0.523485  0.696506  0.489356  1
  Zr  Zr33  1  0.230585  0.539613  0.452113  1
  Zr  Zr34  1  0.102446  0.469950  0.477392  1
  Zr  Zr35  1  0.810734  0.315227  0.440305  1
  Zr  Zr36  1  0.517059  0.160578  0.402961  1
  Zr  Zr37  1  0.140358  0.772435  0.400686  1
  Zr  Zr38  1  0.725364  0.086167  0.475257  1
  Zr  Zr39  1  0.432810  0.929578  0.437893  1
  Zr  Zr40  1  0.899684  0.081710  0.491534  1
  Zr  Zr41  1  0.606622  0.926358  0.454597  1
  Zr  Zr42  1  0.313984  0.768633  0.417595  1
  Zr  Zr43  1  0.080744  0.154598  0.427932  1
  Zr  Zr44  1  0.787807  1.002958  0.391259  1
  Zr  Zr45  1  0.374470  0.313206  0.464866  1
  Zr  Zr46  1  0.958245  0.698947  0.464644  1
  Zr  Zr47  1  0.665923  0.542965  0.427511  1
  Zr  Zr48  1  0.250842  0.853350  0.501432  1
  Zr  Zr49  1  0.839012  0.465560  0.516109  1
  Zr  Zr50  1  0.424143  0.775188  0.589229  1
  Zr  Zr51  1  0.131952  0.620131  0.553285  1
  Zr  Zr52  1  0.959443  0.325184  0.599221  1
  Zr  Zr53  1  0.666306  0.170679  0.562099  1
  Zr  Zr54  1  0.372330  0.013213  0.524411  1
  Zr  Zr55  1  0.815926  0.853079  0.526568  1
  Zr  Zr56  1  0.400648  0.161924  0.600882  1
  Zr  Zr57  1  0.107792  0.007755  0.563673  1
  Zr  Zr58  1  0.978618  0.936552  0.588960  1
  Zr  Zr59  1  0.687842  0.783522  0.551785  1
  Zr  Zr60  1  0.395088  0.626169  0.514400  1
  Zr  Zr61  1  0.018660  0.241099  0.512430  1
  Zr  Zr62  1  0.604455  0.554991  0.586359  1
  Zr  Zr63  1  0.311785  0.396163  0.549243  1
  Zr  Zr64  1  0.777940  0.550798  0.603325  1
  Zr  Zr65  1  0.485784  0.392999  0.565895  1
  Zr  Zr66  1  0.192946  0.236753  0.528677  1
  Zr  Zr67  1  0.960083  0.623620  0.539322  1
  Zr  Zr68  1  0.667457  0.469351  0.502483  1
  Zr  Zr69  1  0.252460  0.779520  0.576134  1
  Zr  Zr70  1  0.837608  0.168639  0.576027  1
  Zr  Zr71  1  0.543991  0.009873  0.538993  1
  Zr  Zr72  1  0.130952  0.319113  0.612913  1
  Zr  Zr73  1  0.717519  0.933887  0.627289  1
  Zr  Zr74  1  0.310707  0.239604  0.698110  1
  Zr  Zr75  1  0.010476  0.088556  0.664158  1
  Zr  Zr76  1  0.835480  0.789684  0.705916  1
  Zr  Zr77  1  0.540077  0.642352  0.669250  1
  Zr  Zr78  1  0.251754  0.475854  0.635587  1
  Zr  Zr79  1  0.695992  0.323034  0.638486  1
  Zr  Zr80  1  0.260714  0.618522  0.710737  1
  Zr  Zr81  1  0.986235  0.478970  0.673528  1
  Zr  Zr82  1  0.857131  0.417130  0.702897  1
  Zr  Zr83  1  0.566711  0.250564  0.664243  1
  Zr  Zr84  1  0.272931  0.091417  0.627663  1
  Zr  Zr85  1  0.896915  0.711780  0.623382  1
  Zr  Zr86  1  0.481609  0.028953  0.698235  1
  Zr  Zr87  1  0.190499  0.864880  0.659703  1
  Zr  Zr88  1  0.655810  0.024934  0.711856  1
  Zr  Zr89  1  0.364399  0.860679  0.675223  1
  Zr  Zr90  1  0.069364  0.705857  0.639465  1
  Zr  Zr91  1  0.839439  0.097006  0.651600  1
  Zr  Zr92  1  0.545493  0.942785  0.613135  1
  Zr  Zr93  1  0.130235  0.243094  0.689285  1
  Zr  Zr94  1  0.711410  0.640807  0.687448  1
  Zr  Zr95  1  0.422689  0.475441  0.650079  1
  Zr  Zr96  1  0.007753  0.778184  0.721792  1
  Ni  Ni97  1  0.289715  0.535031  0.353064  1
  Ni  Ni98  1  0.998011  0.379875  0.313554  1
  Ni  Ni99  1  0.698189  0.236610  0.278264  1
  Ni  Ni100  1  0.321462  0.496186  0.305450  1
  Ni  Ni101  1  0.905458  0.806943  0.380859  1
  Ni  Ni102  1  0.614327  0.652097  0.342413  1
  Ni  Ni103  1  0.964745  0.419671  0.362071  1
  Ni  Ni104  1  0.669382  0.268227  0.324798  1
  Ni  Ni105  1  0.376464  0.114183  0.288901  1
  Ni  Ni106  1  0.321904  0.731687  0.288189  1
  Ni  Ni107  1  0.883894  0.031432  0.356904  1
  Ni  Ni108  1  0.597341  0.876168  0.322084  1
  Ni  Ni109  1  0.979991  0.199230  0.385883  1
  Ni  Ni110  1  0.691441  0.045320  0.346685  1
  Ni  Ni111  1  0.395764  0.888914  0.307817  1
  Ni  Ni112  1  0.028224  0.844554  0.369908  1
  Ni  Ni113  1  0.733989  0.692830  0.334903  1
  Ni  Ni114  1  0.440027  0.544512  0.296048  1
  Ni  Ni115  1  0.257337  0.068621  0.301780  1
  Ni  Ni116  1  0.842357  0.386747  0.376082  1
  Ni  Ni117  1  0.546203  0.239123  0.338274  1
  Ni  Ni118  1  0.066498  0.705077  0.332341  1
  Ni  Ni119  1  0.776942  0.540505  0.296479  1
  Ni  Ni120  1  0.359352  0.859576  0.369129  1
  Ni  Ni121  1  0.254590  0.752167  0.367721  1
  Ni  Ni122  1  0.963523  0.595515  0.329823  1
  Ni  Ni123  1  0.663650  0.456286  0.295222  1
  Ni  Ni124  1  0.027142  0.158936  0.301759  1
  Ni  Ni125  1  0.613969  0.478662  0.377327  1
  Ni  Ni126  1  0.322426  0.318373  0.338899  1
  Ni  Ni127  1  0.144184  0.054899  0.321114  1
  Ni  Ni128  1  0.858840  0.882559  0.287427  1
  Ni  Ni129  1  0.439888  0.209608  0.358289  1
  Ni  Ni130  1  0.137372  0.863743  0.345463  1
  Ni  Ni131  1  0.839333  0.705022  0.311818  1
  Ni  Ni132  1  0.428460  0.022950  0.384814  1
  Ni  Ni133  1  0.197468  0.892872  0.289197  1
  Ni  Ni134  1  0.775303  0.217937  0.357736  1
  Ni  Ni135  1  0.483413  0.056270  0.320651  1
  Ni  Ni136  1  0.092517  0.014222  0.384233  1
  Ni  Ni137  1  0.801703  0.864672  0.347822  1
  Ni  Ni138  1  0.512045  0.706611  0.310390  1
  Ni  Ni139  1  0.271715  0.875830  0.326481  1
  Ni  Ni140  1  0.978430  0.730088  0.288762  1
  Ni  Ni141  1  0.560573  0.039462  0.360183  1
  Ni  Ni142  1  0.016151  0.031229  0.343834  1
  Ni  Ni143  1  0.727790  0.884074  0.308257  1
  Ni  Ni144  1  0.309072  0.192701  0.382644  1
  Ni  Ni145  1  0.084834  0.456599  0.345242  1
  Ni  Ni146  1  0.786858  0.317801  0.307154  1
  Ni  Ni147  1  0.377805  0.613523  0.383703  1
  Ni  Ni148  1  0.200274  0.448521  0.325590  1
  Ni  Ni149  1  0.904107  0.295596  0.289108  1
  Ni  Ni150  1  0.493020  0.612345  0.362262  1
  Ni  Ni151  1  0.128321  0.287700  0.305724  1
  Ni  Ni152  1  0.710911  0.613913  0.382340  1
  Ni  Ni153  1  0.419301  0.450768  0.343702  1
  Ni  Ni154  1  0.159014  0.616029  0.362015  1
  Ni  Ni155  1  0.869272  0.461345  0.325980  1
  Ni  Ni156  1  0.570477  0.316453  0.288278  1
  Ni  Ni157  1  0.216997  0.219274  0.340188  1
  Ni  Ni158  1  0.924629  0.056896  0.303298  1
  Ni  Ni159  1  0.508783  0.379537  0.377795  1
  Ni  Ni160  1  0.165732  0.004753  0.464722  1
  Ni  Ni161  1  0.872922  0.851319  0.428047  1
  Ni  Ni162  1  0.581289  0.696652  0.390137  1
  Ni  Ni163  1  0.197568  0.961061  0.417175  1
  Ni  Ni164  1  0.784020  0.274643  0.491734  1
  Ni  Ni165  1  0.490955  0.118317  0.454443  1
  Ni  Ni166  1  0.841443  0.893726  0.475215  1
  Ni  Ni167  1  0.548841  0.738163  0.437846  1
  Ni  Ni168  1  0.255690  0.578918  0.400602  1
  Ni  Ni169  1  0.180192  0.185537  0.395197  1
  Ni  Ni170  1  0.766939  0.499522  0.469804  1
  Ni  Ni171  1  0.475831  0.343156  0.432863  1
  Ni  Ni172  1  0.858294  0.668633  0.497114  1
  Ni  Ni173  1  0.566347  0.511891  0.460132  1
  Ni  Ni174  1  0.271233  0.354120  0.422925  1
  Ni  Ni175  1  0.905229  0.312772  0.480207  1
  Ni  Ni176  1  0.611237  0.159180  0.443330  1
  Ni  Ni177  1  0.318395  1.001621  0.406616  1
  Ni  Ni178  1  0.134557  0.541369  0.412534  1
  Ni  Ni179  1  0.720539  0.854923  0.486876  1
  Ni  Ni180  1  0.427396  0.698878  0.449646  1
  Ni  Ni181  1  0.945060  0.167649  0.441951  1
  Ni  Ni182  1  0.651555  0.015252  0.405860  1
  Ni  Ni183  1  0.238209  0.322185  0.479022  1
  Ni  Ni184  1  0.133055  0.222511  0.479028  1
  Ni  Ni185  1  0.839792  0.068573  0.441937  1
  Ni  Ni186  1  0.546792  0.914050  0.404478  1
  Ni  Ni187  1  0.906335  0.633842  0.414327  1
  Ni  Ni188  1  0.492026  0.943772  0.487701  1
  Ni  Ni189  1  0.199079  0.787372  0.450627  1
  Ni  Ni190  1  0.024936  0.523816  0.433545  1
  Ni  Ni191  1  0.732045  0.366237  0.396588  1
  Ni  Ni192  1  0.317448  0.678203  0.470310  1
  Ni  Ni193  1  0.015151  0.330587  0.459361  1
  Ni  Ni194  1  0.721534  0.177214  0.422438  1
  Ni  Ni195  1  0.308016  0.486539  0.496396  1
  Ni  Ni196  1  0.068646  0.370127  0.395649  1
  Ni  Ni197  1  0.654067  0.684571  0.470375  1
  Ni  Ni198  1  0.361470  0.526965  0.433133  1
  Ni  Ni199  1  0.971664  0.483193  0.496400  1
  Ni  Ni200  1  0.679245  0.328420  0.459403  1
  Ni  Ni201  1  0.385359  0.170396  0.422229  1
  Ni  Ni202  1  0.142384  0.346214  0.435170  1
  Ni  Ni203  1  0.850612  0.190716  0.397793  1
  Ni  Ni204  1  0.437364  0.503471  0.472368  1
  Ni  Ni205  1  0.895787  0.507387  0.457210  1
  Ni  Ni206  1  0.604101  0.351290  0.419921  1
  Ni  Ni207  1  0.188390  0.662837  0.494112  1
  Ni  Ni208  1  0.962362  0.934117  0.456357  1
  Ni  Ni209  1  0.669137  0.779107  0.419480  1
  Ni  Ni210  1  0.255141  0.088093  0.493456  1
  Ni  Ni211  1  0.076795  0.920693  0.435935  1
  Ni  Ni212  1  0.784398  0.767035  0.399177  1
  Ni  Ni213  1  0.369756  0.078751  0.472975  1
  Ni  Ni214  1  0.002930  0.767178  0.418917  1
  Ni  Ni215  1  0.588365  0.079502  0.492860  1
  Ni  Ni216  1  0.295268  0.923088  0.455776  1
  Ni  Ni217  1  0.036775  0.087256  0.474115  1
  Ni  Ni218  1  0.743844  0.931927  0.437050  1
  Ni  Ni219  1  0.451876  0.774625  0.399432  1
  Ni  Ni220  1  0.095018  0.687392  0.450830  1
  Ni  Ni221  1  0.802743  0.531652  0.414046  1
  Ni  Ni222  1  0.387354  0.843561  0.487585  1
  Ni  Ni223  1  0.045615  0.471171  0.575940  1
  Ni  Ni224  1  0.752569  0.318342  0.539251  1
  Ni  Ni225  1  0.459266  0.161418  0.501884  1
  Ni  Ni226  1  0.077007  0.428951  0.528747  1
  Ni  Ni227  1  0.662692  0.744887  0.603361  1
  Ni  Ni228  1  0.369545  0.584250  0.565816  1
  Ni  Ni229  1  0.720895  0.362164  0.586773  1
  Ni  Ni230  1  0.427469  0.204321  0.549374  1
  Ni  Ni231  1  0.134317  0.048268  0.512222  1
  Ni  Ni232  1  0.059977  0.654253  0.506848  1
  Ni  Ni233  1  0.646916  0.969061  0.580962  1
  Ni  Ni234  1  0.351916  0.810879  0.543525  1
  Ni  Ni235  1  0.738328  0.138242  0.608893  1
  Ni  Ni236  1  0.442779  0.979852  0.571027  1
  Ni  Ni237  1  0.151197  0.823311  0.534090  1
  Ni  Ni238  1  0.783827  0.781744  0.591399  1
  Ni  Ni239  1  0.491276  0.623392  0.554070  1
  Ni  Ni240  1  0.197876  0.467954  0.517064  1
  Ni  Ni241  1  0.013137  0.010029  0.523788  1
  Ni  Ni242  1  0.600028  0.322153  0.597450  1
  Ni  Ni243  1  0.307058  0.163780  0.560457  1
  Ni  Ni244  1  0.823384  0.635556  0.553151  1
  Ni  Ni245  1  0.531162  0.478876  0.516176  1
  Ni  Ni246  1  0.115629  0.791113  0.589766  1
  Ni  Ni247  1  0.012104  0.688631  0.589595  1
  Ni  Ni248  1  0.719262  0.535780  0.553312  1
  Ni  Ni249  1  0.426419  0.379000  0.516130  1
  Ni  Ni250  1  0.785254  0.100609  0.524955  1
  Ni  Ni251  1  0.371796  0.408466  0.599230  1
  Ni  Ni252  1  0.078673  0.254127  0.562033  1
  Ni  Ni253  1  0.903129  0.992483  0.544605  1
  Ni  Ni254  1  0.610408  0.836428  0.507458  1
  Ni  Ni255  1  0.197185  0.145570  0.581536  1
  Ni  Ni256  1  0.893493  0.798904  0.570381  1
  Ni  Ni257  1  0.600982  0.644750  0.533542  1
  Ni  Ni258  1  0.186357  0.956364  0.607234  1
  Ni  Ni259  1  0.946663  0.839591  0.507584  1
  Ni  Ni260  1  0.532666  0.152806  0.581815  1
  Ni  Ni261  1  0.239144  0.994542  0.544435  1
  Ni  Ni262  1  0.849818  0.952869  0.608259  1
  Ni  Ni263  1  0.557030  0.796310  0.570739  1
  Ni  Ni264  1  0.264315  0.638138  0.533366  1
  Ni  Ni265  1  0.022516  0.815242  0.546725  1
  Ni  Ni266  1  0.729755  0.660009  0.509748  1
  Ni  Ni267  1  0.314298  0.971635  0.583838  1
  Ni  Ni268  1  0.775940  0.976996  0.568793  1
  Ni  Ni269  1  0.481135  0.819206  0.531478  1
  Ni  Ni270  1  0.067960  0.131994  0.606265  1
  Ni  Ni271  1  0.841560  0.402541  0.568004  1
  Ni  Ni272  1  0.548707  0.243982  0.530823  1
  Ni  Ni273  1  0.134172  0.555485  0.604722  1
  Ni  Ni274  1  0.956022  0.388620  0.547594  1
  Ni  Ni275  1  0.663250  0.234800  0.510557  1
  Ni  Ni276  1  0.249295  0.543391  0.584322  1
  Ni  Ni277  1  0.881604  0.235625  0.529868  1
  Ni  Ni278  1  0.466673  0.548373  0.604181  1
  Ni  Ni279  1  0.174651  0.390496  0.566950  1
  Ni  Ni280  1  0.915486  0.555514  0.585086  1
  Ni  Ni281  1  0.623071  0.400254  0.548217  1
  Ni  Ni282  1  0.330126  0.243123  0.510942  1
  Ni  Ni283  1  0.973387  0.155201  0.562062  1
  Ni  Ni284  1  0.680122  1.001161  0.524976  1
  Ni  Ni285  1  0.266921  0.307083  0.598207  1
  Ni  Ni286  1  0.920754  0.942833  0.690357  1
  Ni  Ni287  1  0.628392  0.789712  0.650919  1
  Ni  Ni288  1  0.337126  0.625416  0.613540  1
  Ni  Ni289  1  0.953827  0.902955  0.641841  1
  Ni  Ni290  1  0.542771  0.210786  0.714950  1
  Ni  Ni291  1  0.248117  0.058148  0.680951  1
  Ni  Ni292  1  0.596381  0.828471  0.698511  1
  Ni  Ni293  1  0.304071  0.671689  0.661429  1
  Ni  Ni294  1  0.012938  0.515725  0.623116  1
  Ni  Ni295  1  0.938455  0.123372  0.617958  1
  Ni  Ni296  1  0.521251  0.435913  0.695821  1
  Ni  Ni297  1  0.227958  0.277073  0.657054  1
  Ni  Ni298  1  0.596022  0.592237  0.715763  1
  Ni  Ni299  1  0.322662  0.448770  0.681743  1
  Ni  Ni300  1  0.034443  0.291408  0.646976  1
  Ni  Ni301  1  0.662267  0.254287  0.702026  1
  Ni  Ni302  1  0.372388  0.082797  0.665208  1
  Ni  Ni303  1  0.076180  0.935752  0.627795  1
  Ni  Ni304  1  0.890186  0.478555  0.634127  1
  Ni  Ni305  1  0.477006  0.782061  0.707925  1
  Ni  Ni306  1  0.184568  0.631219  0.668911  1
  Ni  Ni307  1  0.701818  0.104070  0.663625  1
  Ni  Ni308  1  0.409843  0.942323  0.625632  1
  Ni  Ni309  1  0.994572  0.265588  0.700665  1
  Ni  Ni310  1  0.891741  0.164002  0.702207  1
  Ni  Ni311  1  0.595896  0.006255  0.665120  1
  Ni  Ni312  1  0.304794  0.842789  0.626090  1
  Ni  Ni313  1  0.663486  0.572558  0.636343  1
  Ni  Ni314  1  0.256825  0.861577  0.708205  1
  Ni  Ni315  1  0.955347  0.726966  0.674087  1
  Ni  Ni316  1  0.780819  0.460663  0.658598  1
  Ni  Ni317  1  0.489847  0.300384  0.619149  1
  Ni  Ni318  1  0.079724  0.616961  0.692081  1
  Ni  Ni319  1  0.775044  0.267856  0.682688  1
  Ni  Ni320  1  0.478626  0.114362  0.645665  1
  Ni  Ni321  1  0.060786  0.439789  0.716573  1
  Ni  Ni322  1  0.826138  0.309052  0.619743  1
  Ni  Ni323  1  0.405666  0.618424  0.693493  1
  Ni  Ni324  1  0.117051  0.458438  0.656022  1
  Ni  Ni325  1  0.721004  0.430917  0.714162  1
  Ni  Ni326  1  0.437126  0.269933  0.682927  1
  Ni  Ni327  1  0.143289  0.104286  0.646512  1
  Ni  Ni328  1  0.902312  0.291846  0.660167  1
  Ni  Ni329  1  0.609667  0.130590  0.621205  1
  Ni  Ni330  1  0.191817  0.438302  0.695347  1
  Ni  Ni331  1  0.645328  0.448612  0.677428  1
  Ni  Ni332  1  0.358874  0.284219  0.643673  1
  Ni  Ni333  1  0.940543  0.592882  0.715201  1
  Ni  Ni334  1  0.718188  0.875411  0.678379  1
  Ni  Ni335  1  0.425388  0.711179  0.641326  1
  Ni  Ni336  1  0.014626  0.027211  0.714830  1
  Ni  Ni337  1  0.833798  0.865913  0.658751  1
  Ni  Ni338  1  0.540414  0.710540  0.620188  1
  Ni  Ni339  1  0.131394  0.005272  0.696495  1
  Ni  Ni340  1  0.759315  0.707438  0.642000  1
  Ni  Ni341  1  0.348446  0.006850  0.714807  1
  Ni  Ni342  1  0.049628  0.861595  0.677801  1
  Ni  Ni343  1  0.790326  0.035498  0.698213  1
  Ni  Ni344  1  0.498651  0.874857  0.660333  1
  Ni  Ni345  1  0.207513  0.708948  0.621391  1
  Ni  Ni346  1  0.852094  0.618323  0.671636  1
  Ni  Ni347  1  0.559043  0.465532  0.634726  1
  Ni  Ni348  1  0.142082  0.782688  0.707262  1
