# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61924127
_cell_length_b   28.22048414
_cell_length_c   48.60601897
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.97719252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10449.5367153
_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  0.815050  0.481051  0.372137  1
  Zr  Zr2  1  0.089621  0.773009  0.336134  1
  Zr  Zr3  1  0.241254  0.063361  0.302338  1
  Zr  Zr4  1  0.992390  0.640374  0.371080  1
  Zr  Zr5  1  0.262824  0.934122  0.333193  1
  Zr  Zr6  1  0.545386  0.226224  0.298730  1
  Zr  Zr7  1  0.477073  0.707787  0.383736  1
  Zr  Zr8  1  0.740184  0.004611  0.344581  1
  Zr  Zr9  1  0.033098  0.291784  0.309356  1
  Zr  Zr10  1  0.334572  0.413858  0.358218  1
  Zr  Zr11  1  0.610557  0.708383  0.318561  1
  Zr  Zr12  1  0.846911  -0.002272  0.285722  1
  Zr  Zr13  1  0.325882  0.458132  0.292287  1
  Zr  Zr14  1  0.766074  0.874685  0.363467  1
  Zr  Zr15  1  0.050270  0.166561  0.326236  1
  Zr  Zr16  1  0.316459  0.539168  0.342318  1
  Zr  Zr17  1  0.589830  0.827996  0.304929  1
  Zr  Zr18  1  0.041242  0.246556  0.378754  1
  Zr  Zr19  1  0.837149  0.401127  0.319122  1
  Zr  Zr20  1  0.132665  0.682312  0.288935  1
  Zr  Zr21  1  0.562925  0.108802  0.357072  1
  Zr  Zr22  1  0.810616  0.599672  0.311421  1
  Zr  Zr23  1  0.246353  0.013332  0.385906  1
  Zr  Zr24  1  0.531722  0.304966  0.349592  1
  Zr  Zr25  1  0.984614  0.601721  0.484041  1
  Zr  Zr26  1  0.258412  0.894740  0.446116  1
  Zr  Zr27  1  0.539842  0.187982  0.410070  1
  Zr  Zr28  1  0.171331  0.762563  0.481350  1
  Zr  Zr29  1  0.448907  0.055531  0.444519  1
  Zr  Zr30  1  0.724473  0.348223  0.407207  1
  Zr  Zr31  1  0.651618  0.829071  0.494685  1
  Zr  Zr32  1  0.928894  0.122027  0.458443  1
  Zr  Zr33  1  0.203138  0.414590  0.420818  1
  Zr  Zr34  1  0.506056  0.535133  0.470466  1
  Zr  Zr35  1  0.778559  0.828222  0.432554  1
  Zr  Zr36  1  0.059649  0.122093  0.397450  1
  Zr  Zr37  1  0.496895  0.581610  0.401679  1
  Zr  Zr38  1  0.946624  -0.003749  0.475223  1
  Zr  Zr39  1  0.222728  0.289363  0.438408  1
  Zr  Zr40  1  0.486486  0.661096  0.452946  1
  Zr  Zr41  1  0.758454  0.953776  0.415397  1
  Zr  Zr42  1  0.215507  0.368171  0.490189  1
  Zr  Zr43  1  1.006276  0.522374  0.431462  1
  Zr  Zr44  1  0.281065  0.816605  0.393104  1
  Zr  Zr45  1  0.733278  0.230284  0.468712  1
  Zr  Zr46  1  0.973547  0.719502  0.423508  1
  Zr  Zr47  1  0.432191  0.134324  0.497577  1
  Zr  Zr48  1  0.705257  0.427072  0.459959  1
  Zr  Zr49  1  0.160537  0.723643  0.595444  1
  Zr  Zr50  1  0.439240  0.016254  0.557855  1
  Zr  Zr51  1  0.714007  0.309161  0.521280  1
  Zr  Zr52  1  0.346594  0.883826  0.592412  1
  Zr  Zr53  1  0.630908  0.176917  0.556276  1
  Zr  Zr54  1  0.899651  0.469796  0.518962  1
  Zr  Zr55  1  0.827518  0.949664  0.604955  1
  Zr  Zr56  1  0.109765  0.243530  0.569880  1
  Zr  Zr57  1  0.378161  0.536508  0.532529  1
  Zr  Zr58  1  0.681561  0.657331  0.581857  1
  Zr  Zr59  1  0.958880  0.949772  0.543919  1
  Zr  Zr60  1  0.234545  0.242598  0.507856  1
  Zr  Zr61  1  0.669606  0.703575  0.512568  1
  Zr  Zr62  1  0.130677  0.117826  0.586951  1
  Zr  Zr63  1  0.398263  0.410693  0.549940  1
  Zr  Zr64  1  0.662840  0.782528  0.564192  1
  Zr  Zr65  1  0.941551  0.075394  0.527133  1
  Zr  Zr66  1  0.387634  0.490219  0.601281  1
  Zr  Zr67  1  0.179551  0.644662  0.542825  1
  Zr  Zr68  1  0.455935  0.937423  0.504796  1
  Zr  Zr69  1  0.910459  0.351998  0.579579  1
  Zr  Zr70  1  0.152644  0.841495  0.533819  1
  Zr  Zr71  1  0.609918  0.255093  0.609282  1
  Zr  Zr72  1  0.877826  0.549146  0.571584  1
  Zr  Zr73  1  0.340689  0.845954  0.703841  1
  Zr  Zr74  1  0.628121  0.137387  0.669257  1
  Zr  Zr75  1  0.888963  0.431015  0.632201  1
  Zr  Zr76  1  0.647340  0.008121  0.700087  1
  Zr  Zr77  1  0.802303  0.298255  0.667624  1
  Zr  Zr78  1  0.067583  0.590615  0.630767  1
  Zr  Zr79  1  0.042156  0.073502  0.716837  1
  Zr  Zr80  1  0.278463  0.365289  0.682406  1
  Zr  Zr81  1  0.549228  0.658142  0.644396  1
  Zr  Zr82  1  0.852156  0.780389  0.693266  1
  Zr  Zr83  1  0.148937  0.067345  0.657979  1
  Zr  Zr84  1  0.408799  0.364105  0.618998  1
  Zr  Zr85  1  0.844742  0.825375  0.623787  1
  Zr  Zr86  1  0.305297  0.242401  0.697370  1
  Zr  Zr87  1  0.567768  0.533162  0.660547  1
  Zr  Zr88  1  0.836633  0.905267  0.676232  1
  Zr  Zr89  1  0.124473  0.196538  0.638912  1
  Zr  Zr90  1  0.556743  0.614795  0.710459  1
  Zr  Zr91  1  0.353603  0.767003  0.653050  1
  Zr  Zr92  1  0.642662  0.058350  0.616535  1
  Zr  Zr93  1  0.072545  0.473171  0.691515  1
  Zr  Zr94  1  0.323972  0.963121  0.645358  1
  Zr  Zr95  1  0.776332  0.379367  0.716361  1
  Zr  Zr96  1  0.045802  0.671204  0.683501  1
  Ni  Ni97  1  0.821803  0.503989  0.314304  1
  Ni  Ni98  1  0.263318  0.915156  0.389302  1
  Ni  Ni99  1  0.546133  0.206786  0.352252  1
  Ni  Ni100  1  0.560860  0.467716  0.331940  1
  Ni  Ni101  1  0.878637  0.760210  0.294349  1
  Ni  Ni102  1  0.279515  0.173272  0.369572  1
  Ni  Ni103  1  0.106893  0.535976  0.298846  1
  Ni  Ni104  1  0.530634  0.949378  0.371975  1
  Ni  Ni105  1  0.814017  0.240397  0.335461  1
  Ni  Ni106  1  0.660719  0.396393  0.363804  1
  Ni  Ni107  1  0.932660  0.689960  0.328886  1
  Ni  Ni108  1  0.176055  0.974584  0.289398  1
  Ni  Ni109  1  0.148306  0.725501  0.379759  1
  Ni  Ni110  1  0.410415  0.019797  0.340991  1
  Ni  Ni111  1  0.703632  0.309872  0.304140  1
  Ni  Ni112  1  0.480019  0.493838  0.380787  1
  Ni  Ni113  1  0.758519  0.784822  0.342206  1
  Ni  Ni114  1  0.903404  0.079317  0.306852  1
  Ni  Ni115  1  0.338575  0.626680  0.362748  1
  Ni  Ni116  1  0.608569  0.921762  0.323932  1
  Ni  Ni117  1  0.876445  0.217153  0.287045  1
  Ni  Ni118  1  0.149514  0.484689  0.383281  1
  Ni  Ni119  1  0.429350  0.777766  0.345112  1
  Ni  Ni120  1  0.585988  0.071613  0.307903  1
  Ni  Ni121  1  0.087333  0.465855  0.332566  1
  Ni  Ni122  1  0.329647  0.758395  0.296501  1
  Ni  Ni123  1  0.817295  0.173197  0.370493  1
  Ni  Ni124  1  0.529680  0.536639  0.297944  1
  Ni  Ni125  1  0.985014  0.949717  0.371667  1
  Ni  Ni126  1  0.269328  0.239843  0.335206  1
  Ni  Ni127  1  0.450425  0.621265  0.314667  1
  Ni  Ni128  1  0.743832  0.905894  0.281015  1
  Ni  Ni129  1  0.195150  0.325606  0.351953  1
  Ni  Ni130  1  0.169726  0.382813  0.312909  1
  Ni  Ni131  1  0.614141  0.796519  0.388175  1
  Ni  Ni132  1  0.901027  0.090990  0.353888  1
  Ni  Ni133  1  0.135898  0.614870  0.323094  1
  Ni  Ni134  1  0.408190  0.904276  0.285699  1
  Ni  Ni135  1  0.865999  0.323742  0.354604  1
  Ni  Ni136  1  0.507655  0.383671  0.313755  1
  Ni  Ni137  1  0.943512  0.797785  0.386834  1
  Ni  Ni138  1  0.223094  0.091445  0.351457  1
  Ni  Ni139  1  1.004177  0.401110  0.368837  1
  Ni  Ni140  1  0.279926  0.694671  0.335298  1
  Ni  Ni141  1  0.500134  0.987133  0.296367  1
  Ni  Ni142  1  0.803227  0.720440  0.373373  1
  Ni  Ni143  1  0.065095  0.013718  0.335582  1
  Ni  Ni144  1  0.356851  0.305743  0.302952  1
  Ni  Ni145  1  0.987658  0.550523  0.349846  1
  Ni  Ni146  1  0.259431  0.842559  0.313940  1
  Ni  Ni147  1  0.716089  0.257929  0.387396  1
  Ni  Ni148  1  0.656579  0.452306  0.282806  1
  Ni  Ni149  1  0.091856  0.864017  0.355689  1
  Ni  Ni150  1  0.382495  0.151913  0.317978  1
  Ni  Ni151  1  0.644976  0.554113  0.348706  1
  Ni  Ni152  1  0.923201  0.846409  0.312190  1
  Ni  Ni153  1  0.369786  0.258659  0.386852  1
  Ni  Ni154  1  0.997106  0.452097  0.283101  1
  Ni  Ni155  1  0.439022  0.863181  0.354564  1
  Ni  Ni156  1  0.724393  0.154557  0.318936  1
  Ni  Ni157  1  0.659179  0.638831  0.356840  1
  Ni  Ni158  1  0.935029  0.930485  0.321293  1
  Ni  Ni159  1  0.214823  0.220353  0.286626  1
  Ni  Ni160  1  0.988805  0.621139  0.427290  1
  Ni  Ni161  1  0.444039  0.035877  0.501186  1
  Ni  Ni162  1  0.719181  0.328711  0.464339  1
  Ni  Ni163  1  0.723846  0.587430  0.444219  1
  Ni  Ni164  1  0.996887  0.880966  0.406359  1
  Ni  Ni165  1  0.452649  0.295017  0.481263  1
  Ni  Ni166  1  0.256312  0.654932  0.410594  1
  Ni  Ni167  1  0.710657  0.069635  0.484391  1
  Ni  Ni168  1  0.985342  0.362382  0.447259  1
  Ni  Ni169  1  0.830744  0.517320  0.476107  1
  Ni  Ni170  1  0.103674  0.810144  0.437900  1
  Ni  Ni171  1  0.383431  0.103632  0.401705  1
  Ni  Ni172  1  0.327831  0.846830  0.489120  1
  Ni  Ni173  1  0.604788  0.139955  0.452851  1
  Ni  Ni174  1  0.878744  0.432148  0.414779  1
  Ni  Ni175  1  0.647226  0.615076  0.492527  1
  Ni  Ni176  1  0.921083  0.907867  0.454751  1
  Ni  Ni177  1  0.203500  0.200930  0.418286  1
  Ni  Ni178  1  0.506175  0.749647  0.472949  1
  Ni  Ni179  1  0.784867  0.042067  0.436000  1
  Ni  Ni180  1  0.059159  0.334772  0.398398  1
  Ni  Ni181  1  0.319719  0.606541  0.495078  1
  Ni  Ni182  1  0.593162  0.899275  0.457179  1
  Ni  Ni183  1  0.874100  0.192790  0.420874  1
  Ni  Ni184  1  0.263181  0.586743  0.444870  1
  Ni  Ni185  1  0.536723  0.880314  0.406646  1
  Ni  Ni186  1  0.991985  0.294296  0.482083  1
  Ni  Ni187  1  0.715422  0.655511  0.408924  1
  Ni  Ni188  1  0.171948  0.070389  0.483802  1
  Ni  Ni189  1  0.446857  0.363153  0.446466  1
  Ni  Ni190  1  0.641412  0.739615  0.427561  1
  Ni  Ni191  1  0.914242  0.032519  0.390419  1
  Ni  Ni192  1  0.370618  0.446418  0.464805  1
  Ni  Ni193  1  0.340845  0.503453  0.426228  1
  Ni  Ni194  1  0.789372  0.917741  0.500280  1
  Ni  Ni195  1  0.067387  0.210944  0.463595  1
  Ni  Ni196  1  0.310732  0.738168  0.429479  1
  Ni  Ni197  1  0.585639  0.031200  0.393037  1
  Ni  Ni198  1  0.040429  0.445184  0.467276  1
  Ni  Ni199  1  0.671363  0.504166  0.424301  1
  Ni  Ni200  1  0.120413  0.919047  0.497733  1
  Ni  Ni201  1  0.397751  0.212211  0.461616  1
  Ni  Ni202  1  0.176993  0.522622  0.480987  1
  Ni  Ni203  1  0.449611  0.815570  0.442854  1
  Ni  Ni204  1  0.728715  0.108736  0.406905  1
  Ni  Ni205  1  0.981196  0.841593  0.484188  1
  Ni  Ni206  1  0.259588  0.134831  0.448155  1
  Ni  Ni207  1  0.532831  0.427101  0.410175  1
  Ni  Ni208  1  0.160356  0.672027  0.461702  1
  Ni  Ni209  1  0.433141  0.965427  0.423860  1
  Ni  Ni210  1  0.889001  0.379660  0.498760  1
  Ni  Ni211  1  0.821275  0.569519  0.393050  1
  Ni  Ni212  1  0.272440  0.985080  0.466467  1
  Ni  Ni213  1  0.549562  0.277934  0.429860  1
  Ni  Ni214  1  0.814470  0.673182  0.461027  1
  Ni  Ni215  1  0.086829  0.966406  0.423428  1
  Ni  Ni216  1  0.544194  0.380781  0.498126  1
  Ni  Ni217  1  0.165863  0.569095  0.393327  1
  Ni  Ni218  1  0.617626  0.983693  0.467092  1
  Ni  Ni219  1  0.894100  0.276806  0.430581  1
  Ni  Ni220  1  0.834400  0.757798  0.470553  1
  Ni  Ni221  1  0.112612  0.050650  0.433871  1
  Ni  Ni222  1  0.385329  0.343349  0.396292  1
  Ni  Ni223  1  0.166087  0.743075  0.538331  1
  Ni  Ni224  1  0.626882  0.156555  0.613144  1
  Ni  Ni225  1  0.894671  0.450478  0.575736  1
  Ni  Ni226  1  0.899872  0.709418  0.555446  1
  Ni  Ni227  1  0.177534  0.002070  0.517954  1
  Ni  Ni228  1  0.627610  0.416675  0.592514  1
  Ni  Ni229  1  0.432737  0.776770  0.521392  1
  Ni  Ni230  1  0.892984  0.190700  0.596081  1
  Ni  Ni231  1  0.159951  0.484183  0.558819  1
  Ni  Ni232  1  1.006076  0.639639  0.588001  1
  Ni  Ni233  1  0.282908  0.931857  0.549561  1
  Ni  Ni234  1  0.558519  0.224773  0.513356  1
  Ni  Ni235  1  0.503826  0.968126  0.600686  1
  Ni  Ni236  1  0.784723  0.261570  0.564545  1
  Ni  Ni237  1  0.053479  0.554271  0.526936  1
  Ni  Ni238  1  0.826118  0.737164  0.604222  1
  Ni  Ni239  1  0.103514  0.029651  0.566362  1
  Ni  Ni240  1  0.378090  0.322102  0.529762  1
  Ni  Ni241  1  0.682525  0.870918  0.584217  1
  Ni  Ni242  1  0.968468  0.163799  0.547609  1
  Ni  Ni243  1  0.237241  0.456543  0.510420  1
  Ni  Ni244  1  0.499835  0.728650  0.606309  1
  Ni  Ni245  1  0.775619  0.021116  0.568496  1
  Ni  Ni246  1  0.049749  0.313812  0.532228  1
  Ni  Ni247  1  0.438111  0.708688  0.556233  1
  Ni  Ni248  1  0.716045  0.001315  0.518554  1
  Ni  Ni249  1  0.167826  0.416125  0.593838  1
  Ni  Ni250  1  0.893689  0.777519  0.520558  1
  Ni  Ni251  1  0.353021  0.191248  0.595703  1
  Ni  Ni252  1  0.621050  0.484890  0.558114  1
  Ni  Ni253  1  0.818751  0.860933  0.538914  1
  Ni  Ni254  1  0.098955  0.153876  0.502090  1
  Ni  Ni255  1  0.543012  0.568365  0.576647  1
  Ni  Ni256  1  0.513871  0.625330  0.538043  1
  Ni  Ni257  1  0.974683  0.039107  0.611996  1
  Ni  Ni258  1  0.243111  0.332528  0.575117  1
  Ni  Ni259  1  0.488476  0.859587  0.540860  1
  Ni  Ni260  1  0.767727  0.152648  0.504662  1
  Ni  Ni261  1  0.212288  0.567451  0.578680  1
  Ni  Ni262  1  0.844305  0.626483  0.535624  1
  Ni  Ni263  1  0.302875  0.040523  0.609383  1
  Ni  Ni264  1  0.574371  0.333434  0.573169  1
  Ni  Ni265  1  0.351923  0.644735  0.592492  1
  Ni  Ni266  1  0.627967  0.936969  0.554243  1
  Ni  Ni267  1  0.905271  0.230040  0.518270  1
  Ni  Ni268  1  0.158635  0.963000  0.595488  1
  Ni  Ni269  1  0.438441  0.256182  0.559655  1
  Ni  Ni270  1  0.707338  0.549027  0.522031  1
  Ni  Ni271  1  0.335962  0.793930  0.572736  1
  Ni  Ni272  1  0.615872  0.086645  0.535882  1
  Ni  Ni273  1  0.062822  0.501620  0.610298  1
  Ni  Ni274  1  0.995984  0.692089  0.504011  1
  Ni  Ni275  1  0.456225  0.106196  0.578539  1
  Ni  Ni276  1  0.724348  0.399494  0.541267  1
  Ni  Ni277  1  0.991460  0.795037  0.572013  1
  Ni  Ni278  1  0.270581  0.088078  0.535270  1
  Ni  Ni279  1  0.718351  0.502628  0.609692  1
  Ni  Ni280  1  0.340934  0.690945  0.504670  1
  Ni  Ni281  1  0.802405  0.105289  0.578962  1
  Ni  Ni282  1  0.069868  0.398352  0.541906  1
  Ni  Ni283  1  0.012145  0.878992  0.581635  1
  Ni  Ni284  1  0.296341  0.172504  0.545196  1
  Ni  Ni285  1  0.564937  0.465139  0.507819  1
  Ni  Ni286  1  0.340093  0.865146  0.650250  1
  Ni  Ni287  1  0.780347  0.277765  0.724919  1
  Ni  Ni288  1  0.059841  0.568536  0.688646  1
  Ni  Ni289  1  0.072144  0.831569  0.667095  1
  Ni  Ni290  1  0.359515  0.122157  0.630332  1
  Ni  Ni291  1  0.775034  0.536681  0.704228  1
  Ni  Ni292  1  0.606889  0.898629  0.632909  1
  Ni  Ni293  1  0.047843  0.311823  0.707327  1
  Ni  Ni294  1  0.321438  0.604894  0.670805  1
  Ni  Ni295  1  0.181380  0.762436  0.698607  1
  Ni  Ni296  1  0.478405  0.052026  0.661582  1
  Ni  Ni297  1  0.736774  0.345711  0.623445  1
  Ni  Ni298  1  0.713638  0.096337  0.713026  1
  Ni  Ni299  1  0.956942  0.382587  0.674207  1
  Ni  Ni300  1  0.222813  0.675542  0.638756  1
  Ni  Ni301  1  0.009844  0.854875  0.715535  1
  Ni  Ni302  1  0.283870  0.149483  0.678413  1
  Ni  Ni303  1  0.545413  0.445002  0.640570  1
  Ni  Ni304  1  0.984914  0.992394  0.695618  1
  Ni  Ni305  1  0.137955  0.285776  0.659736  1
  Ni  Ni306  1  0.403031  0.578203  0.622083  1
  Ni  Ni307  1  0.671235  0.851879  0.715950  1
  Ni  Ni308  1  0.956015  0.141490  0.681309  1
  Ni  Ni309  1  0.221284  0.434410  0.645247  1
  Ni  Ni310  1  0.616515  0.832188  0.667357  1
  Ni  Ni311  1  0.904822  0.121846  0.630758  1
  Ni  Ni312  1  0.351411  0.536953  0.705041  1
  Ni  Ni313  1  0.069346  0.898682  0.631977  1
  Ni  Ni314  1  0.528814  0.315098  0.705262  1
  Ni  Ni315  1  0.795718  0.606135  0.670200  1
  Ni  Ni316  1  0.986156  0.980875  0.648580  1
  Ni  Ni317  1  0.275984  0.275027  0.613778  1
  Ni  Ni318  1  0.713684  0.689499  0.689667  1
  Ni  Ni319  1  0.690016  0.746426  0.650631  1
  Ni  Ni320  1  0.150902  0.164440  0.721481  1
  Ni  Ni321  1  0.427841  0.452902  0.687391  1
  Ni  Ni322  1  0.664149  0.980365  0.650934  1
  Ni  Ni323  1  0.945991  0.273798  0.615899  1
  Ni  Ni324  1  0.375785  0.688818  0.688772  1
  Ni  Ni325  1  0.019080  0.748260  0.648004  1
  Ni  Ni326  1  0.485958  0.166828  0.716931  1
  Ni  Ni327  1  0.746882  0.455441  0.681900  1
  Ni  Ni328  1  0.528213  0.766515  0.699720  1
  Ni  Ni329  1  0.824174  0.057939  0.666854  1
  Ni  Ni330  1  0.082629  0.351236  0.629475  1
  Ni  Ni331  1  0.388989  0.084397  0.706348  1
  Ni  Ni332  1  0.611339  0.377679  0.668311  1
  Ni  Ni333  1  0.879664  0.670797  0.633814  1
  Ni  Ni334  1  0.504306  0.920002  0.684457  1
  Ni  Ni335  1  0.799445  0.207572  0.646972  1
  Ni  Ni336  1  0.225666  0.620995  0.719934  1
  Ni  Ni337  1  0.169973  0.813898  0.615185  1
  Ni  Ni338  1  0.630093  0.229396  0.688594  1
  Ni  Ni339  1  0.895222  0.520400  0.653554  1
  Ni  Ni340  1  0.162430  0.917343  0.683517  1
  Ni  Ni341  1  0.451399  0.208390  0.647595  1
  Ni  Ni342  1  0.885309  0.620439  0.719726  1
  Ni  Ni343  1  0.516282  0.813243  0.615738  1
  Ni  Ni344  1  0.967770  0.225782  0.691321  1
  Ni  Ni345  1  0.239241  0.518417  0.654454  1
  Ni  Ni346  1  0.302537  0.000046  0.694570  1
  Ni  Ni347  1  0.464575  0.294230  0.656530  1
  Ni  Ni348  1  0.733742  0.587260  0.619467  1
