# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71625126
_cell_length_b   24.07802127
_cell_length_c   51.37333663
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.05180685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   9450.66423269
_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  0.363325  0.116583  0.352557  1
  Zr  Zr2  1  0.923432  0.619207  0.270712  1
  Zr  Zr3  1  0.632116  0.366275  0.311007  1
  Zr  Zr4  1  0.522245  0.151841  0.266871  1
  Zr  Zr5  1  0.250070  0.901404  0.309914  1
  Zr  Zr6  1  0.978689  0.649447  0.351815  1
  Zr  Zr7  1  0.761273  0.945364  0.274357  1
  Zr  Zr8  1  0.511500  0.694919  0.313531  1
  Zr  Zr9  1  0.261256  0.442396  0.354549  1
  Zr  Zr10  1  0.087347  0.322782  0.348502  1
  Zr  Zr11  1  0.863247  0.830174  0.263533  1
  Zr  Zr12  1  0.358820  0.572996  0.308961  1
  Zr  Zr13  1  0.042931  0.195354  0.307159  1
  Zr  Zr14  1  0.771325  0.943284  0.349305  1
  Zr  Zr15  1  0.308215  0.444563  0.268813  1
  Zr  Zr16  1  0.830490  0.071036  0.313445  1
  Zr  Zr17  1  0.564000  0.821101  0.354631  1
  Zr  Zr18  1  0.102090  0.323777  0.273700  1
  Zr  Zr19  1  0.573991  0.238130  0.342495  1
  Zr  Zr20  1  0.167526  0.739899  0.263526  1
  Zr  Zr21  1  0.849474  0.490584  0.302637  1
  Zr  Zr22  1  0.305604  0.026947  0.279011  1
  Zr  Zr23  1  0.024821  0.775313  0.318297  1
  Zr  Zr24  1  0.775798  0.526017  0.361378  1
  Zr  Zr25  1  0.544988  0.361674  0.478352  1
  Zr  Zr26  1  0.101343  0.865154  0.394703  1
  Zr  Zr27  1  0.845530  0.612929  0.438027  1
  Zr  Zr28  1  0.715479  0.398034  0.392830  1
  Zr  Zr29  1  0.436520  0.147798  0.433785  1
  Zr  Zr30  1  0.172560  0.897702  0.476011  1
  Zr  Zr31  1  0.982663  0.192527  0.394930  1
  Zr  Zr32  1  0.717049  0.940893  0.437038  1
  Zr  Zr33  1  0.463383  0.688190  0.479894  1
  Zr  Zr34  1  0.306335  0.568841  0.473908  1
  Zr  Zr35  1  0.818522  0.072945  0.391708  1
  Zr  Zr36  1  0.553877  0.821106  0.433348  1
  Zr  Zr37  1  0.247937  0.441878  0.432023  1
  Zr  Zr38  1  0.970326  0.192928  0.473027  1
  Zr  Zr39  1  0.508398  0.692319  0.391360  1
  Zr  Zr40  1  0.029570  0.319278  0.437557  1
  Zr  Zr41  1  0.760542  0.070504  0.479539  1
  Zr  Zr42  1  0.310953  0.569885  0.397171  1
  Zr  Zr43  1  0.782107  0.487026  0.469151  1
  Zr  Zr44  1  0.308533  0.988972  0.386031  1
  Zr  Zr45  1  0.045771  0.736183  0.427901  1
  Zr  Zr46  1  0.498282  0.275505  0.401270  1
  Zr  Zr47  1  0.227407  0.025453  0.443298  1
  Zr  Zr48  1  0.971343  0.774984  0.484990  1
  Zr  Zr49  1  0.539849  0.619762  0.602533  1
  Zr  Zr50  1  0.275490  0.113857  0.519783  1
  Zr  Zr51  1  0.020710  0.865929  0.561115  1
  Zr  Zr52  1  0.910916  0.645465  0.518250  1
  Zr  Zr53  1  0.430030  0.398916  0.559951  1
  Zr  Zr54  1  0.175780  0.151305  0.601027  1
  Zr  Zr55  1  0.931140  0.434082  0.523873  1
  Zr  Zr56  1  0.679421  0.192891  0.565114  1
  Zr  Zr57  1  0.410013  0.946570  0.606964  1
  Zr  Zr58  1  0.518747  0.831235  0.596868  1
  Zr  Zr59  1  0.037194  0.318952  0.513834  1
  Zr  Zr60  1  0.770472  0.072923  0.555431  1
  Zr  Zr61  1  0.452064  0.694021  0.556349  1
  Zr  Zr62  1  0.947029  0.443528  0.600428  1
  Zr  Zr63  1  0.706313  0.944021  0.514858  1
  Zr  Zr64  1  0.998649  0.571075  0.564435  1
  Zr  Zr65  1  0.746199  0.320522  0.606819  1
  Zr  Zr66  1  0.505124  0.821520  0.521005  1
  Zr  Zr67  1  0.998881  0.742561  0.594527  1
  Zr  Zr68  1  0.503043  0.238029  0.509791  1
  Zr  Zr69  1  0.240667  0.990806  0.551750  1
  Zr  Zr70  1  0.452402  0.522473  0.526533  1
  Zr  Zr71  1  0.210262  0.274600  0.569091  1
  Zr  Zr72  1  0.944515  0.027167  0.610594  1
  Zr  Zr73  1  0.723273  0.866673  0.728290  1
  Zr  Zr74  1  0.281030  0.366398  0.645805  1
  Zr  Zr75  1  0.992228  0.117429  0.686679  1
  Zr  Zr76  1  0.903601  0.904153  0.643151  1
  Zr  Zr77  1  0.611692  0.655018  0.682212  1
  Zr  Zr78  1  0.355048  0.390868  0.726627  1
  Zr  Zr79  1  0.144577  0.697331  0.647975  1
  Zr  Zr80  1  0.907901  0.446809  0.689586  1
  Zr  Zr81  1  0.360009  0.194753  0.732531  1
  Zr  Zr82  1  0.481535  0.074479  0.723274  1
  Zr  Zr83  1  0.988592  0.577181  0.639963  1
  Zr  Zr84  1  0.742439  0.324020  0.681690  1
  Zr  Zr85  1  0.420674  0.948579  0.682560  1
  Zr  Zr86  1  0.140227  0.694161  0.718905  1
  Zr  Zr87  1  0.691446  0.194969  0.640754  1
  Zr  Zr88  1  0.198136  0.823484  0.689075  1
  Zr  Zr89  1  0.937855  0.568616  0.726730  1
  Zr  Zr90  1  0.472436  0.072453  0.648029  1
  Zr  Zr91  1  0.942479  0.994664  0.718426  1
  Zr  Zr92  1  0.480748  0.488827  0.635019  1
  Zr  Zr93  1  0.217465  0.239700  0.677393  1
  Zr  Zr94  1  0.668723  0.780352  0.651901  1
  Zr  Zr95  1  0.407822  0.531549  0.689384  1
  Zr  Zr96  1  0.868774  0.284265  0.733009  1
  Ni  Ni97  1  0.571640  0.257455  0.287387  1
  Ni  Ni98  1  0.301631  0.009090  0.332240  1
  Ni  Ni99  1  0.835423  0.515869  0.251640  1
  Ni  Ni100  1  0.309013  0.283295  0.311206  1
  Ni  Ni101  1  0.028714  0.032823  0.354245  1
  Ni  Ni102  1  0.562699  0.533593  0.272005  1
  Ni  Ni103  1  0.565997  0.984197  0.309578  1
  Ni  Ni104  1  0.306155  0.732686  0.350839  1
  Ni  Ni105  1  0.851758  0.233734  0.266814  1
  Ni  Ni106  1  0.424817  0.331043  0.354163  1
  Ni  Ni107  1  0.215605  0.843219  0.270041  1
  Ni  Ni108  1  0.697278  0.578711  0.313384  1
  Ni  Ni109  1  0.432922  0.934398  0.267130  1
  Ni  Ni110  1  0.173084  0.683704  0.307868  1
  Ni  Ni111  1  0.923803  0.433558  0.349320  1
  Ni  Ni112  1  0.041447  0.135019  0.352310  1
  Ni  Ni113  1  0.604913  0.636952  0.273201  1
  Ni  Ni114  1  0.310276  0.384787  0.310618  1
  Ni  Ni115  1  0.853799  0.130505  0.269832  1
  Ni  Ni116  1  0.575008  0.881784  0.310388  1
  Ni  Ni117  1  0.299868  0.630019  0.352311  1
  Ni  Ni118  1  0.718525  0.134973  0.351095  1
  Ni  Ni119  1  0.289232  0.640034  0.269364  1
  Ni  Ni120  1  0.984477  0.386557  0.308569  1
  Ni  Ni121  1  0.857418  0.284385  0.309828  1
  Ni  Ni122  1  0.592487  0.034052  0.352876  1
  Ni  Ni123  1  0.136627  0.535947  0.269753  1
  Ni  Ni124  1  0.012264  0.982437  0.310298  1
  Ni  Ni125  1  0.747051  0.732770  0.351427  1
  Ni  Ni126  1  0.271709  0.233195  0.267515  1
  Ni  Ni127  1  0.978218  0.038169  0.269709  1
  Ni  Ni128  1  0.695440  0.790640  0.306644  1
  Ni  Ni129  1  0.458720  0.538199  0.352503  1
  Ni  Ni130  1  0.890616  0.227304  0.350568  1
  Ni  Ni131  1  0.506647  0.737428  0.267780  1
  Ni  Ni132  1  0.162862  0.477654  0.310146  1
  Ni  Ni133  1  0.640465  0.044322  0.269061  1
  Ni  Ni134  1  0.364709  0.789538  0.307053  1
  Ni  Ni135  1  0.116357  0.537584  0.351486  1
  Ni  Ni136  1  0.231039  0.227595  0.352114  1
  Ni  Ni137  1  0.813725  0.726190  0.271945  1
  Ni  Ni138  1  0.503770  0.476317  0.311490  1
  Ni  Ni139  1  0.765772  0.335329  0.353454  1
  Ni  Ni140  1  0.526766  0.838457  0.269245  1
  Ni  Ni141  1  0.036924  0.585651  0.312344  1
  Ni  Ni142  1  0.085848  0.933643  0.267339  1
  Ni  Ni143  1  0.830458  0.675652  0.310270  1
  Ni  Ni144  1  0.582635  0.429470  0.350792  1
  Ni  Ni145  1  0.510729  0.090195  0.310336  1
  Ni  Ni146  1  0.243320  0.836097  0.352122  1
  Ni  Ni147  1  0.775276  0.338563  0.268236  1
  Ni  Ni148  1  0.362886  0.178028  0.307517  1
  Ni  Ni149  1  0.091723  0.928661  0.351996  1
  Ni  Ni150  1  0.636461  0.431625  0.268259  1
  Ni  Ni151  1  0.165388  0.087055  0.311904  1
  Ni  Ni152  1  0.901861  0.836651  0.353842  1
  Ni  Ni153  1  0.438535  0.338627  0.269525  1
  Ni  Ni154  1  0.706605  0.178911  0.307872  1
  Ni  Ni155  1  0.435513  0.928900  0.351693  1
  Ni  Ni156  1  0.967074  0.430694  0.266422  1
  Ni  Ni157  1  0.174189  0.128528  0.270069  1
  Ni  Ni158  1  0.902301  0.879368  0.310337  1
  Ni  Ni159  1  0.627109  0.630654  0.353011  1
  Ni  Ni160  1  0.781338  0.505610  0.414465  1
  Ni  Ni161  1  0.501097  0.254692  0.454513  1
  Ni  Ni162  1  0.035023  0.757519  0.373876  1
  Ni  Ni163  1  0.511406  0.530510  0.437241  1
  Ni  Ni164  1  0.234362  0.278956  0.477246  1
  Ni  Ni165  1  0.761795  0.781786  0.395414  1
  Ni  Ni166  1  0.772560  0.231390  0.432791  1
  Ni  Ni167  1  0.507317  0.981686  0.474879  1
  Ni  Ni168  1  0.051415  0.481639  0.392037  1
  Ni  Ni169  1  0.644948  0.579131  0.480482  1
  Ni  Ni170  1  0.156698  0.081004  0.396006  1
  Ni  Ni171  1  0.892248  0.829156  0.437647  1
  Ni  Ni172  1  0.645673  0.183973  0.390229  1
  Ni  Ni173  1  0.378894  0.932559  0.432948  1
  Ni  Ni174  1  0.122253  0.680718  0.474952  1
  Ni  Ni175  1  0.216509  0.380895  0.475747  1
  Ni  Ni176  1  0.779718  0.883794  0.394391  1
  Ni  Ni177  1  0.523789  0.632919  0.436123  1
  Ni  Ni178  1  0.037214  0.379353  0.392668  1
  Ni  Ni179  1  0.757751  0.129633  0.434301  1
  Ni  Ni180  1  0.492808  0.879079  0.476058  1
  Ni  Ni181  1  0.894456  0.384141  0.476019  1
  Ni  Ni182  1  0.456319  0.883693  0.393575  1
  Ni  Ni183  1  0.195942  0.631733  0.435324  1
  Ni  Ni184  1  0.067679  0.530051  0.436609  1
  Ni  Ni185  1  0.790018  0.281541  0.477377  1
  Ni  Ni186  1  0.327925  0.782318  0.394538  1
  Ni  Ni187  1  0.208859  0.230146  0.433772  1
  Ni  Ni188  1  0.942842  0.980176  0.475925  1
  Ni  Ni189  1  0.489304  0.481016  0.393432  1
  Ni  Ni190  1  0.182225  0.287858  0.393098  1
  Ni  Ni191  1  0.908813  0.037122  0.435702  1
  Ni  Ni192  1  0.650879  0.786047  0.477225  1
  Ni  Ni193  1  0.110910  0.472599  0.479041  1
  Ni  Ni194  1  0.626154  0.976457  0.393196  1
  Ni  Ni195  1  0.364086  0.723869  0.435462  1
  Ni  Ni196  1  0.842897  0.287267  0.392103  1
  Ni  Ni197  1  0.571216  0.036515  0.433959  1
  Ni  Ni198  1  0.313751  0.784100  0.475980  1
  Ni  Ni199  1  0.439624  0.469396  0.477852  1
  Ni  Ni200  1  0.963573  0.977298  0.394711  1
  Ni  Ni201  1  0.703188  0.725964  0.436504  1
  Ni  Ni202  1  0.989557  0.579250  0.481219  1
  Ni  Ni203  1  0.498137  0.085974  0.395095  1
  Ni  Ni204  1  0.233507  0.833762  0.437461  1
  Ni  Ni205  1  0.303703  0.179323  0.391220  1
  Ni  Ni206  1  0.037389  0.928026  0.433420  1
  Ni  Ni207  1  0.782234  0.678118  0.475765  1
  Ni  Ni208  1  0.708691  0.336000  0.436404  1
  Ni  Ni209  1  0.440410  0.086555  0.477858  1
  Ni  Ni210  1  0.990999  0.586365  0.395022  1
  Ni  Ni211  1  0.569007  0.426062  0.434998  1
  Ni  Ni212  1  0.291018  0.175502  0.475747  1
  Ni  Ni213  1  0.828992  0.677406  0.393926  1
  Ni  Ni214  1  0.366084  0.334612  0.435728  1
  Ni  Ni215  1  0.096511  0.085293  0.477318  1
  Ni  Ni216  1  0.647793  0.585632  0.395779  1
  Ni  Ni217  1  0.912312  0.426178  0.433386  1
  Ni  Ni218  1  0.636394  0.177453  0.474727  1
  Ni  Ni219  1  0.173030  0.678156  0.392951  1
  Ni  Ni220  1  0.361111  0.379494  0.394053  1
  Ni  Ni221  1  0.080520  0.129397  0.435033  1
  Ni  Ni222  1  0.817196  0.878927  0.476815  1
  Ni  Ni223  1  0.983863  0.756404  0.538490  1
  Ni  Ni224  1  0.466713  0.508549  0.582130  1
  Ni  Ni225  1  0.235759  0.005844  0.496552  1
  Ni  Ni226  1  0.712413  0.783510  0.560728  1
  Ni  Ni227  1  0.202704  0.533458  0.603674  1
  Ni  Ni228  1  0.968924  0.031151  0.519033  1
  Ni  Ni229  1  0.739301  0.481511  0.560334  1
  Ni  Ni230  1  0.482699  0.233821  0.601695  1
  Ni  Ni231  1  0.248317  0.731524  0.516981  1
  Ni  Ni232  1  0.850348  0.835957  0.604073  1
  Ni  Ni233  1  0.368091  0.329394  0.521398  1
  Ni  Ni234  1  0.100952  0.081846  0.562989  1
  Ni  Ni235  1  0.600183  0.429491  0.517198  1
  Ni  Ni236  1  0.348881  0.183946  0.557634  1
  Ni  Ni237  1  0.078200  0.935206  0.599664  1
  Ni  Ni238  1  0.212114  0.635892  0.601845  1
  Ni  Ni239  1  0.946398  0.133579  0.516989  1
  Ni  Ni240  1  0.693854  0.886146  0.558258  1
  Ni  Ni241  1  0.238097  0.629874  0.518674  1
  Ni  Ni242  1  0.758567  0.378969  0.563037  1
  Ni  Ni243  1  0.504925  0.131604  0.603920  1
  Ni  Ni244  1  0.886579  0.638014  0.599870  1
  Ni  Ni245  1  0.623489  0.136909  0.517821  1
  Ni  Ni246  1  0.366798  0.888039  0.559363  1
  Ni  Ni247  1  0.271968  0.784611  0.560549  1
  Ni  Ni248  1  0.761941  0.534630  0.602848  1
  Ni  Ni249  1  0.524994  0.033660  0.519090  1
  Ni  Ni250  1  0.178327  0.480464  0.560344  1
  Ni  Ni251  1  0.926619  0.231821  0.601364  1
  Ni  Ni252  1  0.687986  0.730067  0.517990  1
  Ni  Ni253  1  0.112445  0.531975  0.518723  1
  Ni  Ni254  1  0.878504  0.288906  0.559498  1
  Ni  Ni255  1  0.612760  0.040663  0.600991  1
  Ni  Ni256  1  0.337727  0.733741  0.601929  1
  Ni  Ni257  1  0.835349  0.225106  0.519635  1
  Ni  Ni258  1  0.572375  0.976718  0.561338  1
  Ni  Ni259  1  0.785931  0.532718  0.518117  1
  Ni  Ni260  1  0.546158  0.289658  0.559963  1
  Ni  Ni261  1  0.281576  0.043434  0.601497  1
  Ni  Ni262  1  0.664954  0.733262  0.602824  1
  Ni  Ni263  1  0.167177  0.222243  0.519157  1
  Ni  Ni264  1  0.904423  0.975807  0.560911  1
  Ni  Ni265  1  0.189444  0.839265  0.603824  1
  Ni  Ni266  1  0.710830  0.331037  0.521428  1
  Ni  Ni267  1  0.447249  0.085698  0.562497  1
  Ni  Ni268  1  0.260527  0.425946  0.517273  1
  Ni  Ni269  1  1.003147  0.180151  0.558129  1
  Ni  Ni270  1  0.737000  0.933931  0.599596  1
  Ni  Ni271  1  0.669588  0.583231  0.559947  1
  Ni  Ni272  1  0.425459  0.338097  0.603179  1
  Ni  Ni273  1  0.184507  0.837103  0.519280  1
  Ni  Ni274  1  0.780887  0.682249  0.560880  1
  Ni  Ni275  1  0.267255  0.427487  0.601884  1
  Ni  Ni276  1  0.027290  0.927002  0.517887  1
  Ni  Ni277  1  0.329390  0.586231  0.560722  1
  Ni  Ni278  1  0.079398  0.336010  0.604247  1
  Ni  Ni279  1  0.840521  0.834814  0.519048  1
  Ni  Ni280  1  0.120862  0.679041  0.559896  1
  Ni  Ni281  1  0.611562  0.429949  0.601608  1
  Ni  Ni282  1  0.373031  0.929400  0.516663  1
  Ni  Ni283  1  0.562746  0.627072  0.520392  1
  Ni  Ni284  1  0.084446  0.377367  0.561525  1
  Ni  Ni285  1  0.827898  0.128801  0.601995  1
  Ni  Ni286  1  0.944089  0.010446  0.665693  1
  Ni  Ni287  1  0.670622  0.762243  0.708204  1
  Ni  Ni288  1  0.217507  0.258387  0.623563  1
  Ni  Ni289  1  0.679795  0.034161  0.687547  1
  Ni  Ni290  1  0.389357  0.784538  0.728298  1
  Ni  Ni291  1  0.950072  0.283082  0.645580  1
  Ni  Ni292  1  0.926827  0.735497  0.683703  1
  Ni  Ni293  1  0.609797  0.484442  0.724492  1
  Ni  Ni294  1  0.209836  0.986860  0.643374  1
  Ni  Ni295  1  0.811419  0.090630  0.728754  1
  Ni  Ni296  1  0.328703  0.585598  0.644576  1
  Ni  Ni297  1  0.077985  0.333353  0.688442  1
  Ni  Ni298  1  0.806084  0.686817  0.639653  1
  Ni  Ni299  1  0.562994  0.433161  0.683215  1
  Ni  Ni300  1  0.017006  0.186407  0.726283  1
  Ni  Ni301  1  0.391396  0.888200  0.725723  1
  Ni  Ni302  1  0.961718  0.386802  0.645748  1
  Ni  Ni303  1  0.665002  0.135918  0.685848  1
  Ni  Ni304  1  0.231360  0.884772  0.645451  1
  Ni  Ni305  1  0.925855  0.631444  0.684956  1
  Ni  Ni306  1  0.691363  0.385668  0.724487  1
  Ni  Ni307  1  0.069115  0.889221  0.726931  1
  Ni  Ni308  1  0.631854  0.385533  0.643465  1
  Ni  Ni309  1  0.343036  0.138783  0.687414  1
  Ni  Ni310  1  0.234698  0.036906  0.687588  1
  Ni  Ni311  1  0.969646  0.784335  0.728080  1
  Ni  Ni312  1  0.504791  0.283072  0.645590  1
  Ni  Ni313  1  0.391587  0.736711  0.684145  1
  Ni  Ni314  1  0.173859  0.486195  0.725764  1
  Ni  Ni315  1  0.658013  0.983839  0.643065  1
  Ni  Ni316  1  0.338814  0.793392  0.641622  1
  Ni  Ni317  1  0.091387  0.543701  0.685425  1
  Ni  Ni318  1  0.529032  0.291273  0.727211  1
  Ni  Ni319  1  0.268775  0.979871  0.727235  1
  Ni  Ni320  1  0.801523  0.477941  0.644623  1
  Ni  Ni321  1  0.549158  0.228001  0.688604  1
  Ni  Ni322  1  0.009579  0.796398  0.643319  1
  Ni  Ni323  1  0.747544  0.537697  0.684548  1
  Ni  Ni324  1  0.198655  0.284847  0.724734  1
  Ni  Ni325  1  0.605915  0.974547  0.727546  1
  Ni  Ni326  1  0.140906  0.481093  0.645769  1
  Ni  Ni327  1  0.879691  0.225533  0.687368  1
  Ni  Ni328  1  0.156557  0.092537  0.729099  1
  Ni  Ni329  1  0.668495  0.586321  0.644989  1
  Ni  Ni330  1  0.420178  0.332478  0.688890  1
  Ni  Ni331  1  0.460968  0.687613  0.639028  1
  Ni  Ni332  1  0.229538  0.430598  0.685336  1
  Ni  Ni333  1  0.690892  0.184295  0.726113  1
  Ni  Ni334  1  0.881190  0.840570  0.687527  1
  Ni  Ni335  1  0.613922  0.589401  0.724525  1
  Ni  Ni336  1  0.153059  0.090629  0.645470  1
  Ni  Ni337  1  0.740083  0.928461  0.685734  1
  Ni  Ni338  1  0.469419  0.681009  0.726110  1
  Ni  Ni339  1  0.009127  0.178101  0.642597  1
  Ni  Ni340  1  0.535774  0.840732  0.687724  1
  Ni  Ni341  1  0.283733  0.590536  0.726661  1
  Ni  Ni342  1  0.805316  0.087766  0.644801  1
  Ni  Ni343  1  0.084166  0.932392  0.685873  1
  Ni  Ni344  1  0.805579  0.679894  0.725347  1
  Ni  Ni345  1  0.354951  0.178766  0.643553  1
  Ni  Ni346  1  0.554509  0.882021  0.644297  1
  Ni  Ni347  1  0.263999  0.634213  0.684596  1
  Ni  Ni348  1  0.018239  0.385465  0.727037  1
