# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69041950
_cell_length_b   25.26256584
_cell_length_c   48.28540652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.96720744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10594.0178285
_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  0.920497  0.979734  0.326031  1
  Zr  Zr2  1  0.017394  0.685215  0.290109  1
  Zr  Zr3  1  0.844078  0.276290  0.362084  1
  Zr  Zr4  1  0.446049  0.294824  0.315438  1
  Zr  Zr5  1  0.518763  0.995633  0.283909  1
  Zr  Zr6  1  0.378986  0.589294  0.354313  1
  Zr  Zr7  1  0.558244  0.130186  0.338995  1
  Zr  Zr8  1  0.678838  0.837868  0.302107  1
  Zr  Zr9  1  0.775505  0.531481  0.267697  1
  Zr  Zr10  1  0.803751  0.143915  0.299724  1
  Zr  Zr11  1  0.658329  0.731642  0.376711  1
  Zr  Zr12  1  0.727939  0.438791  0.338787  1
  Zr  Zr13  1  0.230126  0.150997  0.289038  1
  Zr  Zr14  1  0.066971  0.745057  0.362139  1
  Zr  Zr15  1  0.152738  0.448947  0.322928  1
  Zr  Zr16  1  0.141413  0.120708  0.355909  1
  Zr  Zr17  1  0.243222  0.820329  0.321833  1
  Zr  Zr18  1  0.339219  0.525968  0.286002  1
  Zr  Zr19  1  0.946659  0.307156  0.295108  1
  Zr  Zr20  1  0.787873  0.896213  0.374169  1
  Zr  Zr21  1  0.884145  0.600251  0.333464  1
  Zr  Zr22  1  0.416470  0.966844  0.348177  1
  Zr  Zr23  1  0.520049  0.671206  0.306748  1
  Zr  Zr24  1  0.611692  0.375386  0.273339  1
  Zr  Zr25  1  0.687506  0.869961  0.438757  1
  Zr  Zr26  1  0.776020  0.571459  0.400249  1
  Zr  Zr27  1  0.586871  0.170712  0.473648  1
  Zr  Zr28  1  0.188884  0.187421  0.428178  1
  Zr  Zr29  1  0.289414  0.885326  0.393702  1
  Zr  Zr30  1  0.117813  0.482813  0.466671  1
  Zr  Zr31  1  0.306670  0.027843  0.452963  1
  Zr  Zr32  1  0.410531  0.725902  0.416101  1
  Zr  Zr33  1  0.491431  0.424019  0.377707  1
  Zr  Zr34  1  0.563225  0.030691  0.413997  1
  Zr  Zr35  1  0.403592  0.627795  0.489258  1
  Zr  Zr36  1  0.469210  0.333917  0.451398  1
  Zr  Zr37  1  0.971444  0.044048  0.398807  1
  Zr  Zr38  1  0.822862  0.637163  0.472975  1
  Zr  Zr39  1  0.888579  0.342975  0.434753  1
  Zr  Zr40  1  0.898859  0.013964  0.467932  1
  Zr  Zr41  1  1.001392  0.711867  0.431624  1
  Zr  Zr42  1  0.073608  0.415438  0.393938  1
  Zr  Zr43  1  0.685026  0.198100  0.407177  1
  Zr  Zr44  1  0.549828  0.787332  0.483881  1
  Zr  Zr45  1  0.617788  0.494037  0.445325  1
  Zr  Zr46  1  0.188055  0.859380  0.460011  1
  Zr  Zr47  1  0.280551  0.560781  0.421184  1
  Zr  Zr48  1  0.343862  0.265263  0.383058  1
  Zr  Zr49  1  0.445164  0.759815  0.550785  1
  Zr  Zr50  1  0.515983  0.464440  0.512354  1
  Zr  Zr51  1  0.345678  0.061586  0.585207  1
  Zr  Zr52  1  0.947608  0.076951  0.540143  1
  Zr  Zr53  1  0.047377  0.776493  0.505223  1
  Zr  Zr54  1  0.858237  0.375682  0.578749  1
  Zr  Zr55  1  0.072010  0.916043  0.564912  1
  Zr  Zr56  1  0.164603  0.613364  0.527568  1
  Zr  Zr57  1  0.230181  0.319532  0.489720  1
  Zr  Zr58  1  0.327695  0.919570  0.525926  1
  Zr  Zr59  1  0.142711  0.523100  0.601263  1
  Zr  Zr60  1  0.224584  0.220842  0.562518  1
  Zr  Zr61  1  0.736161  0.933071  0.510944  1
  Zr  Zr62  1  0.560112  0.531703  0.585100  1
  Zr  Zr63  1  0.633137  0.235237  0.547281  1
  Zr  Zr64  1  0.663090  0.903068  0.580147  1
  Zr  Zr65  1  0.745054  0.604270  0.544243  1
  Zr  Zr66  1  0.811085  0.310109  0.505960  1
  Zr  Zr67  1  0.447486  0.087546  0.518873  1
  Zr  Zr68  1  0.289800  0.682031  0.595892  1
  Zr  Zr69  1  0.353480  0.386226  0.557824  1
  Zr  Zr70  1  0.948672  0.749060  0.571787  1
  Zr  Zr71  1  0.015915  0.453238  0.533673  1
  Zr  Zr72  1  0.084234  0.159896  0.495047  1
  Zr  Zr73  1  0.187447  0.652446  0.663470  1
  Zr  Zr74  1  0.255558  0.357765  0.624515  1
  Zr  Zr75  1  0.115607  0.951626  0.695053  1
  Zr  Zr76  1  0.714049  0.967470  0.652888  1
  Zr  Zr77  1  0.789570  0.670961  0.616871  1
  Zr  Zr78  1  0.617830  0.261546  0.688091  1
  Zr  Zr79  1  0.830095  0.803329  0.679264  1
  Zr  Zr80  1  0.905930  0.508474  0.640246  1
  Zr  Zr81  1  0.977358  0.215718  0.602265  1
  Zr  Zr82  1  0.075521  0.817099  0.640015  1
  Zr  Zr83  1  0.858897  0.413531  0.710886  1
  Zr  Zr84  1  0.955385  0.109375  0.676791  1
  Zr  Zr85  1  0.492512  0.826621  0.623039  1
  Zr  Zr86  1  0.295708  0.420592  0.692847  1
  Zr  Zr87  1  0.391876  0.126842  0.656758  1
  Zr  Zr88  1  0.403886  0.796293  0.689940  1
  Zr  Zr89  1  0.481311  0.498497  0.655831  1
  Zr  Zr90  1  0.567325  0.202036  0.616908  1
  Zr  Zr91  1  0.217869  0.980336  0.630761  1
  Zr  Zr92  1  0.022280  0.570999  0.705499  1
  Zr  Zr93  1  0.114477  0.275202  0.671309  1
  Zr  Zr94  1  0.686834  0.639979  0.683839  1
  Zr  Zr95  1  0.750254  0.346612  0.645641  1
  Zr  Zr96  1  0.847535  0.050837  0.604737  1
  Ni  Ni97  1  0.141551  0.285293  0.337638  1
  Ni  Ni98  1  0.211631  0.980713  0.301275  1
  Ni  Ni99  1  0.298627  0.693915  0.265823  1
  Ni  Ni100  1  0.056393  0.070613  0.305918  1
  Ni  Ni101  1  0.150226  0.779679  0.272809  1
  Ni  Ni102  1  0.980464  0.371281  0.341646  1
  Ni  Ni103  1  0.308868  0.201828  0.336024  1
  Ni  Ni104  1  0.404613  0.899392  0.302298  1
  Ni  Ni105  1  0.241851  0.494632  0.374712  1
  Ni  Ni106  1  0.786149  0.044147  0.288510  1
  Ni  Ni107  1  0.641301  0.637058  0.357962  1
  Ni  Ni108  1  0.711828  0.342955  0.321940  1
  Ni  Ni109  1  0.578502  0.225968  0.354306  1
  Ni  Ni110  1  0.659195  0.932331  0.325951  1
  Ni  Ni111  1  0.771371  0.632130  0.284576  1
  Ni  Ni112  1  0.865753  0.076667  0.345499  1
  Ni  Ni113  1  0.959842  0.782437  0.310986  1
  Ni  Ni114  1  0.066807  0.479409  0.272605  1
  Ni  Ni115  1  0.504654  0.199501  0.296389  1
  Ni  Ni116  1  0.347654  0.788641  0.371862  1
  Ni  Ni117  1  0.430340  0.494045  0.335206  1
  Ni  Ni118  1  0.838983  0.171798  0.357462  1
  Ni  Ni119  1  0.921036  0.875152  0.326004  1
  Ni  Ni120  1  0.038781  0.574560  0.285581  1
  Ni  Ni121  1  0.026980  0.202527  0.322105  1
  Ni  Ni122  1  0.082237  0.891061  0.288858  1
  Ni  Ni123  1  0.960321  0.496687  0.361681  1
  Ni  Ni124  1  0.335563  0.064688  0.318418  1
  Ni  Ni125  1  0.437760  0.775292  0.282680  1
  Ni  Ni126  1  0.264085  0.365698  0.354325  1
  Ni  Ni127  1  0.419513  0.061506  0.369348  1
  Ni  Ni128  1  0.530588  0.762703  0.330258  1
  Ni  Ni129  1  0.597274  0.469369  0.293905  1
  Ni  Ni130  1  0.952575  0.215819  0.272998  1
  Ni  Ni131  1  0.780996  0.805096  0.349737  1
  Ni  Ni132  1  0.880525  0.508587  0.312260  1
  Ni  Ni133  1  0.680770  0.268352  0.272556  1
  Ni  Ni134  1  0.509013  0.857906  0.348174  1
  Ni  Ni135  1  0.598966  0.564978  0.310134  1
  Ni  Ni136  1  0.719124  1.002757  0.370467  1
  Ni  Ni137  1  0.810636  0.706923  0.332367  1
  Ni  Ni138  1  0.885554  0.414689  0.294328  1
  Ni  Ni139  1  0.747498  0.237684  0.315961  1
  Ni  Ni140  1  0.798055  0.933486  0.283310  1
  Ni  Ni141  1  0.677341  0.531837  0.353497  1
  Ni  Ni142  1  0.622524  0.036812  0.327813  1
  Ni  Ni143  1  0.724459  0.738838  0.288464  1
  Ni  Ni144  1  0.552535  0.331038  0.362562  1
  Ni  Ni145  1  0.088995  0.215013  0.374875  1
  Ni  Ni146  1  0.169681  0.915421  0.338726  1
  Ni  Ni147  1  0.264370  0.621828  0.301900  1
  Ni  Ni148  1  0.268992  0.055382  0.268134  1
  Ni  Ni149  1  0.129666  0.651480  0.341855  1
  Ni  Ni150  1  0.200974  0.356575  0.301383  1
  Ni  Ni151  1  0.154857  0.019342  0.351211  1
  Ni  Ni152  1  0.256912  0.722257  0.314368  1
  Ni  Ni153  1  0.338492  0.426040  0.275691  1
  Ni  Ni154  1  0.214476  0.252342  0.290593  1
  Ni  Ni155  1  0.055030  0.844800  0.367790  1
  Ni  Ni156  1  0.147472  0.547302  0.329809  1
  Ni  Ni157  1  0.524853  0.099654  0.284395  1
  Ni  Ni158  1  0.381880  0.694185  0.357988  1
  Ni  Ni159  1  0.451450  0.399917  0.320108  1
  Ni  Ni160  1  0.886942  0.179664  0.451048  1
  Ni  Ni161  1  0.991044  0.877664  0.416400  1
  Ni  Ni162  1  0.077780  0.579611  0.377684  1
  Ni  Ni163  1  0.817442  0.961708  0.418671  1
  Ni  Ni164  1  0.909493  0.663884  0.380876  1
  Ni  Ni165  1  0.721369  0.264265  0.454489  1
  Ni  Ni166  1  0.055150  0.095992  0.448315  1
  Ni  Ni167  1  0.158629  0.793779  0.412711  1
  Ni  Ni168  1  0.979630  0.388020  0.486373  1
  Ni  Ni169  1  0.547247  0.934634  0.398626  1
  Ni  Ni170  1  0.383201  0.533024  0.473772  1
  Ni  Ni171  1  0.450749  0.238150  0.435637  1
  Ni  Ni172  1  0.324102  0.123064  0.468750  1
  Ni  Ni173  1  0.425885  0.821674  0.434057  1
  Ni  Ni174  1  0.512587  0.520400  0.392597  1
  Ni  Ni175  1  0.629117  0.967533  0.458809  1
  Ni  Ni176  1  0.724528  0.667628  0.421337  1
  Ni  Ni177  1  0.795386  0.371012  0.382791  1
  Ni  Ni178  1  0.243129  0.090178  0.407913  1
  Ni  Ni179  1  0.098868  0.681768  0.483897  1
  Ni  Ni180  1  0.166571  0.387947  0.446045  1
  Ni  Ni181  1  0.588284  0.065364  0.470128  1
  Ni  Ni182  1  0.692221  0.763036  0.434475  1
  Ni  Ni183  1  0.773782  0.465989  0.396720  1
  Ni  Ni184  1  0.774128  0.096685  0.435190  1
  Ni  Ni185  1  0.874981  0.794621  0.399773  1
  Ni  Ni186  1  0.696644  0.392123  0.473419  1
  Ni  Ni187  1  0.097706  0.961489  0.431817  1
  Ni  Ni188  1  0.195460  0.662571  0.393440  1
  Ni  Ni189  1  1.003641  0.261471  0.467472  1
  Ni  Ni190  1  0.181910  0.954358  0.482154  1
  Ni  Ni191  1  0.278149  0.653538  0.443552  1
  Ni  Ni192  1  0.343976  0.357375  0.405339  1
  Ni  Ni193  1  0.688489  0.103953  0.385140  1
  Ni  Ni194  1  0.547044  0.695599  0.461048  1
  Ni  Ni195  1  0.617006  0.401251  0.423278  1
  Ni  Ni196  1  0.401666  0.159995  0.383611  1
  Ni  Ni197  1  0.254904  0.752365  0.460068  1
  Ni  Ni198  1  0.331942  0.454937  0.421102  1
  Ni  Ni199  1  0.484333  0.892093  0.482380  1
  Ni  Ni200  1  0.561975  0.599192  0.445195  1
  Ni  Ni201  1  0.628854  0.303865  0.407560  1
  Ni  Ni202  1  0.487073  0.125966  0.427104  1
  Ni  Ni203  1  0.585868  0.824811  0.392798  1
  Ni  Ni204  1  0.411284  0.427697  0.465361  1
  Ni  Ni205  1  0.383659  0.932263  0.440647  1
  Ni  Ni206  1  0.484199  0.631106  0.400751  1
  Ni  Ni207  1  0.288479  0.227607  0.475723  1
  Ni  Ni208  1  0.834562  0.108260  0.487200  1
  Ni  Ni209  1  0.938322  0.806805  0.451732  1
  Ni  Ni210  1  0.025235  0.509320  0.413841  1
  Ni  Ni211  1  0.037823  0.948474  0.379611  1
  Ni  Ni212  1  0.871342  0.543940  0.453216  1
  Ni  Ni213  1  0.939345  0.249357  0.414918  1
  Ni  Ni214  1  0.920903  0.911608  0.464399  1
  Ni  Ni215  1  0.012460  0.611697  0.425820  1
  Ni  Ni216  1  0.078065  0.316802  0.386860  1
  Ni  Ni217  1  0.952215  0.146526  0.402501  1
  Ni  Ni218  1  0.815608  0.735773  0.479243  1
  Ni  Ni219  1  0.884279  0.441836  0.441444  1
  Ni  Ni220  1  0.282254  0.992085  0.396985  1
  Ni  Ni221  1  0.123657  0.586988  0.470382  1
  Ni  Ni222  1  0.188942  0.292852  0.432212  1
  Ni  Ni223  1  0.644434  0.069306  0.562482  1
  Ni  Ni224  1  0.747197  0.767571  0.527878  1
  Ni  Ni225  1  0.816856  0.473651  0.489503  1
  Ni  Ni226  1  0.579203  0.851290  0.530602  1
  Ni  Ni227  1  0.654174  0.559275  0.492627  1
  Ni  Ni228  1  0.476682  0.153133  0.566095  1
  Ni  Ni229  1  0.817697  0.985204  0.560222  1
  Ni  Ni230  1  0.912528  0.682919  0.524441  1
  Ni  Ni231  1  0.725119  0.283096  0.598046  1
  Ni  Ni232  1  0.310191  0.824322  0.510326  1
  Ni  Ni233  1  0.121312  0.426793  0.586365  1
  Ni  Ni234  1  0.209258  0.125038  0.544743  1
  Ni  Ni235  1  0.087925  0.012101  0.580153  1
  Ni  Ni236  1  0.183067  0.709161  0.543310  1
  Ni  Ni237  1  0.250618  0.414253  0.505289  1
  Ni  Ni238  1  0.391029  0.856948  0.570987  1
  Ni  Ni239  1  0.467198  0.559311  0.532957  1
  Ni  Ni240  1  0.535202  0.265503  0.495025  1
  Ni  Ni241  1  0.006118  0.979426  0.520091  1
  Ni  Ni242  1  0.838401  0.576156  0.596186  1
  Ni  Ni243  1  0.909671  0.279411  0.557549  1
  Ni  Ni244  1  0.352834  0.954885  0.581955  1
  Ni  Ni245  1  0.444781  0.654459  0.546726  1
  Ni  Ni246  1  0.510222  0.360255  0.508611  1
  Ni  Ni247  1  0.537401  0.985513  0.547062  1
  Ni  Ni248  1  0.630255  0.685788  0.511456  1
  Ni  Ni249  1  0.439129  0.284422  0.585458  1
  Ni  Ni250  1  0.860219  0.850489  0.543736  1
  Ni  Ni251  1  0.937071  0.555177  0.505584  1
  Ni  Ni252  1  0.760008  0.152634  0.579157  1
  Ni  Ni253  1  0.945735  0.843116  0.593813  1
  Ni  Ni254  1  0.016840  0.546030  0.555718  1
  Ni  Ni255  1  0.086645  0.251729  0.517865  1
  Ni  Ni256  1  0.453201  0.992694  0.496674  1
  Ni  Ni257  1  0.289752  0.589873  0.573605  1
  Ni  Ni258  1  0.356309  0.293506  0.535345  1
  Ni  Ni259  1  0.150346  0.055058  0.496536  1
  Ni  Ni260  1  0.004820  0.643380  0.571396  1
  Ni  Ni261  1  0.071955  0.348072  0.533817  1
  Ni  Ni262  1  0.232140  0.787312  0.595389  1
  Ni  Ni263  1  0.302083  0.492187  0.557881  1
  Ni  Ni264  1  0.380361  0.194498  0.518711  1
  Ni  Ni265  1  0.251482  0.014988  0.538213  1
  Ni  Ni266  1  0.345363  0.719776  0.503252  1
  Ni  Ni267  1  0.150022  0.315499  0.578182  1
  Ni  Ni268  1  0.147046  0.820810  0.551839  1
  Ni  Ni269  1  0.222389  0.519591  0.513677  1
  Ni  Ni270  1  0.048853  0.122349  0.586046  1
  Ni  Ni271  1  0.597353  0.998595  0.599298  1
  Ni  Ni272  1  0.694448  0.697887  0.564022  1
  Ni  Ni273  1  0.762521  0.403315  0.525767  1
  Ni  Ni274  1  0.799824  0.838866  0.491685  1
  Ni  Ni275  1  0.608940  0.437764  0.565162  1
  Ni  Ni276  1  0.696849  0.140239  0.527178  1
  Ni  Ni277  1  0.681700  0.800701  0.576430  1
  Ni  Ni278  1  0.749408  0.505421  0.537576  1
  Ni  Ni279  1  0.818364  0.211479  0.499671  1
  Ni  Ni280  1  0.714521  0.035335  0.514482  1
  Ni  Ni281  1  0.555574  0.630457  0.592084  1
  Ni  Ni282  1  0.621898  0.335418  0.553136  1
  Ni  Ni283  1  0.046367  0.881701  0.508754  1
  Ni  Ni284  1  0.860158  0.481210  0.582267  1
  Ni  Ni285  1  0.942489  0.183967  0.544405  1
  Ni  Ni286  1  0.422910  0.966700  0.677713  1
  Ni  Ni287  1  0.492080  0.662010  0.641333  1
  Ni  Ni288  1  0.557012  0.367405  0.601310  1
  Ni  Ni289  1  0.324821  0.745517  0.642948  1
  Ni  Ni290  1  0.392273  0.452301  0.604240  1
  Ni  Ni291  1  0.230060  0.048267  0.676650  1
  Ni  Ni292  1  0.577770  0.876648  0.673056  1
  Ni  Ni293  1  0.653317  0.576089  0.637315  1
  Ni  Ni294  1  0.482727  0.167478  0.705850  1
  Ni  Ni295  1  0.055152  0.721320  0.624661  1
  Ni  Ni296  1  0.863942  0.313483  0.694006  1
  Ni  Ni297  1  0.975402  0.014889  0.653080  1
  Ni  Ni298  1  0.848061  0.903101  0.690468  1
  Ni  Ni299  1  0.921885  0.604381  0.657062  1
  Ni  Ni300  1  0.993059  0.310272  0.621056  1
  Ni  Ni301  1  0.129067  0.747670  0.682622  1
  Ni  Ni302  1  0.203948  0.452983  0.643782  1
  Ni  Ni303  1  0.287173  0.158308  0.606782  1
  Ni  Ni304  1  0.768362  0.870580  0.633466  1
  Ni  Ni305  1  0.567847  0.466921  0.706148  1
  Ni  Ni306  1  0.674451  0.164481  0.668029  1
  Ni  Ni307  1  0.109292  0.847601  0.694578  1
  Ni  Ni308  1  0.182185  0.547130  0.658848  1
  Ni  Ni309  1  0.253620  0.252645  0.620911  1
  Ni  Ni310  1  0.298666  0.882639  0.660570  1
  Ni  Ni311  1  0.369477  0.581726  0.624626  1
  Ni  Ni312  1  0.195612  0.169606  0.695124  1
  Ni  Ni313  1  0.606717  0.744775  0.656848  1
  Ni  Ni314  1  0.673867  0.450389  0.617295  1
  Ni  Ni315  1  0.551883  0.056766  0.690008  1
  Ni  Ni316  1  0.681698  0.731286  0.705919  1
  Ni  Ni317  1  0.753409  0.438551  0.666655  1
  Ni  Ni318  1  0.853327  0.142041  0.629129  1
  Ni  Ni319  1  0.214711  0.885709  0.609663  1
  Ni  Ni320  1  0.036699  0.476813  0.684987  1
  Ni  Ni321  1  0.104294  0.184105  0.648319  1
  Ni  Ni322  1  0.915798  0.944220  0.608421  1
  Ni  Ni323  1  0.747676  0.532416  0.684613  1
  Ni  Ni324  1  0.824129  0.240054  0.646528  1
  Ni  Ni325  1  0.953133  0.678189  0.706243  1
  Ni  Ni326  1  0.037181  0.381036  0.668623  1
  Ni  Ni327  1  0.125758  0.089220  0.630731  1
  Ni  Ni328  1  0.011668  0.910461  0.651177  1
  Ni  Ni329  1  0.081090  0.616167  0.616369  1
  Ni  Ni330  1  0.910642  0.208118  0.690301  1
  Ni  Ni331  1  0.886026  0.709664  0.663001  1
  Ni  Ni332  1  0.956777  0.415372  0.625601  1
  Ni  Ni333  1  0.835689  0.013723  0.695643  1
  Ni  Ni334  1  0.365297  0.891927  0.710830  1
  Ni  Ni335  1  0.431915  0.590692  0.677602  1
  Ni  Ni336  1  0.504142  0.295426  0.637055  1
  Ni  Ni337  1  0.544726  0.732274  0.604082  1
  Ni  Ni338  1  0.369285  0.325234  0.676741  1
  Ni  Ni339  1  0.464938  0.031700  0.640151  1
  Ni  Ni340  1  0.419133  0.694960  0.688362  1
  Ni  Ni341  1  0.486992  0.399673  0.649201  1
  Ni  Ni342  1  0.580355  0.102211  0.610997  1
  Ni  Ni343  1  0.479499  0.927931  0.627774  1
  Ni  Ni344  1  0.295865  0.520313  0.703132  1
  Ni  Ni345  1  0.376521  0.224834  0.664983  1
  Ni  Ni346  1  0.794726  0.775482  0.621498  1
  Ni  Ni347  1  0.595863  0.371758  0.693283  1
  Ni  Ni348  1  0.713456  0.071910  0.652830  1
