# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56344313
_cell_length_b   29.37664257
_cell_length_c   54.60604289
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.64358342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10525.7458297
_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  0.992435  0.803721  0.321722  1
  Zr  Zr2  1  0.232843  0.419947  0.358248  1
  Zr  Zr3  1  0.711977  0.182541  0.283863  1
  Zr  Zr4  1  0.881040  0.696586  0.276043  1
  Zr  Zr5  1  0.113896  0.311283  0.312919  1
  Zr  Zr6  1  0.385733  0.932380  0.350544  1
  Zr  Zr7  1  0.994934  0.653965  0.350123  1
  Zr  Zr8  1  0.473661  0.418556  0.278077  1
  Zr  Zr9  1  0.745225  0.038548  0.313495  1
  Zr  Zr10  1  0.618200  0.698641  0.355584  1
  Zr  Zr11  1  0.078522  0.463838  0.283231  1
  Zr  Zr12  1  0.352732  0.079053  0.321443  1
  Zr  Zr13  1  0.549668  0.941043  0.272587  1
  Zr  Zr14  1  0.785657  0.555467  0.307196  1
  Zr  Zr15  1  0.038582  0.173978  0.345594  1
  Zr  Zr16  1  0.312715  0.558932  0.325119  1
  Zr  Zr17  1  0.574728  0.178241  0.363180  1
  Zr  Zr18  1  0.077703  0.945878  0.288633  1
  Zr  Zr19  1  0.493902  0.811615  0.304957  1
  Zr  Zr20  1  0.717310  0.422719  0.343532  1
  Zr  Zr21  1  0.196874  0.188971  0.270634  1
  Zr  Zr22  1  0.385314  0.685455  0.289353  1
  Zr  Zr23  1  0.629857  0.308171  0.327846  1
  Zr  Zr24  1  0.904147  0.930262  0.365239  1
  Zr  Zr25  1  0.755859  0.657030  0.431701  1
  Zr  Zr26  1  0.018353  0.275039  0.470651  1
  Zr  Zr27  1  0.503577  0.039890  0.396414  1
  Zr  Zr28  1  0.632626  0.548695  0.386583  1
  Zr  Zr29  1  0.896714  0.166618  0.425406  1
  Zr  Zr30  1  0.153546  0.784781  0.461093  1
  Zr  Zr31  1  0.774781  0.508876  0.462382  1
  Zr  Zr32  1  0.257265  0.272356  0.388320  1
  Zr  Zr33  1  0.519959  0.891356  0.425398  1
  Zr  Zr34  1  0.394118  0.550585  0.467992  1
  Zr  Zr35  1  0.874796  0.313480  0.394574  1
  Zr  Zr36  1  0.139286  0.932565  0.432067  1
  Zr  Zr37  1  0.307828  0.792949  0.381782  1
  Zr  Zr38  1  0.556604  0.409456  0.419842  1
  Zr  Zr39  1  0.819733  0.028116  0.458126  1
  Zr  Zr40  1  0.092536  0.413282  0.437208  1
  Zr  Zr41  1  0.353113  0.031693  0.475512  1
  Zr  Zr42  1  0.836071  0.796185  0.399412  1
  Zr  Zr43  1  0.239507  0.659853  0.416866  1
  Zr  Zr44  1  0.498223  0.276962  0.455768  1
  Zr  Zr45  1  0.983951  0.041762  0.381618  1
  Zr  Zr46  1  0.151687  0.545860  0.401467  1
  Zr  Zr47  1  0.415372  0.164656  0.440080  1
  Zr  Zr48  1  0.670827  0.782475  0.475928  1
  Zr  Zr49  1  0.536846  0.511412  0.543772  1
  Zr  Zr50  1  0.796959  0.128308  0.582678  1
  Zr  Zr51  1  0.273398  0.892465  0.507446  1
  Zr  Zr52  1  0.415715  0.402564  0.498865  1
  Zr  Zr53  1  0.672423  1.020484  0.537101  1
  Zr  Zr54  1  0.927297  0.637881  0.572535  1
  Zr  Zr55  1  0.560654  0.363850  0.574986  1
  Zr  Zr56  1  0.037160  0.126936  0.501093  1
  Zr  Zr57  1  0.289432  0.745170  0.536579  1
  Zr  Zr58  1  0.179300  0.406059  0.580607  1
  Zr  Zr59  1  0.657464  0.168659  0.506911  1
  Zr  Zr60  1  0.906997  0.785806  0.543337  1
  Zr  Zr61  1  0.076008  0.645854  0.493352  1
  Zr  Zr62  1  0.340869  0.264424  0.532496  1
  Zr  Zr63  1  0.589983  0.880668  0.569166  1
  Zr  Zr64  1  0.875665  0.268083  0.549999  1
  Zr  Zr65  1  0.117544  0.884038  0.586700  1
  Zr  Zr66  1  0.610699  0.649657  0.510686  1
  Zr  Zr67  1  0.017427  0.513162  0.529053  1
  Zr  Zr68  1  0.278087  0.131888  0.567694  1
  Zr  Zr69  1  0.756762  0.894966  0.492652  1
  Zr  Zr70  1  0.935511  0.400600  0.513756  1
  Zr  Zr71  1  0.186839  1.017259  0.551881  1
  Zr  Zr72  1  0.447867  0.636453  0.587315  1
  Zr  Zr73  1  0.322125  0.366352  0.656170  1
  Zr  Zr74  1  0.548286  0.980662  0.692815  1
  Zr  Zr75  1  0.044071  0.745533  0.618326  1
  Zr  Zr76  1  0.207044  0.258526  0.611796  1
  Zr  Zr77  1  0.436282  0.873487  0.647354  1
  Zr  Zr78  1  0.721120  0.495611  0.685343  1
  Zr  Zr79  1  0.347948  0.192259  0.686516  1
  Zr  Zr80  1  0.804667  0.976934  0.612666  1
  Zr  Zr81  1  0.079649  0.599683  0.647538  1
  Zr  Zr82  1  0.984299  0.257941  0.689914  1
  Zr  Zr83  1  0.427419  1.022373  0.618173  1
  Zr  Zr84  1  0.685260  0.639333  0.655885  1
  Zr  Zr85  1  0.858724  0.500059  0.605942  1
  Zr  Zr86  1  0.123333  0.118527  0.644091  1
  Zr  Zr87  1  0.352985  0.731809  0.680566  1
  Zr  Zr88  1  0.628871  0.116387  0.660749  1
  Zr  Zr89  1  0.881140  0.736767  0.696476  1
  Zr  Zr90  1  0.395803  0.504729  0.623490  1
  Zr  Zr91  1  0.806335  0.370394  0.641205  1
  Zr  Zr92  1  0.040822  0.991374  0.679323  1
  Zr  Zr93  1  0.524613  0.747217  0.603693  1
  Zr  Zr94  1  0.714599  0.253745  0.626885  1
  Zr  Zr95  1  0.938241  0.865755  0.664143  1
  Zr  Zr96  1  0.237231  0.490405  0.698428  1
  Ni  Ni97  1  0.692904  0.870519  0.335095  1
  Ni  Ni98  1  0.153482  0.630053  0.258714  1
  Ni  Ni99  1  0.418225  0.248247  0.296121  1
  Ni  Ni100  1  0.644207  0.790544  0.352394  1
  Ni  Ni101  1  0.121260  0.554596  0.279192  1
  Ni  Ni102  1  0.375553  0.171563  0.315996  1
  Ni  Ni103  1  0.976717  0.562123  0.354210  1
  Ni  Ni104  1  0.472613  0.327165  0.280356  1
  Ni  Ni105  1  0.738048  0.948370  0.316445  1
  Ni  Ni106  1  0.689758  0.735425  0.313066  1
  Ni  Ni107  1  0.946085  0.351176  0.353534  1
  Ni  Ni108  1  0.425310  0.115259  0.281016  1
  Ni  Ni109  1  0.197288  0.762101  0.285659  1
  Ni  Ni110  1  0.403790  0.380146  0.317343  1
  Ni  Ni111  1  0.672727  1.001087  0.355136  1
  Ni  Ni112  1  0.985279  0.750651  0.358813  1
  Ni  Ni113  1  0.463276  0.512773  0.284256  1
  Ni  Ni114  1  0.710560  0.131876  0.321065  1
  Ni  Ni115  1  0.635179  0.600961  0.348619  1
  Ni  Ni116  1  0.137651  0.367189  0.276311  1
  Ni  Ni117  1  0.391440  0.985634  0.312696  1
  Ni  Ni118  1  0.160199  0.851891  0.285034  1
  Ni  Ni119  1  0.383340  0.466143  0.320361  1
  Ni  Ni120  1  0.651599  0.086834  0.359182  1
  Ni  Ni121  1  0.792578  0.875708  0.291449  1
  Ni  Ni122  1  0.020515  0.490641  0.328773  1
  Ni  Ni123  1  0.285242  0.108984  0.367393  1
  Ni  Ni124  1  0.074511  0.625599  0.302620  1
  Ni  Ni125  1  0.331258  0.243238  0.340387  1
  Ni  Ni126  1  0.820311  1.006151  0.268085  1
  Ni  Ni127  1  0.354462  0.652706  0.331813  1
  Ni  Ni128  1  0.838999  0.409258  0.260401  1
  Ni  Ni129  1  0.104337  0.039605  0.292938  1
  Ni  Ni130  1  0.262283  0.699109  0.374634  1
  Ni  Ni131  1  0.736420  0.460348  0.301922  1
  Ni  Ni132  1  0.995410  0.082209  0.340091  1
  Ni  Ni133  1  0.550719  0.752851  0.267138  1
  Ni  Ni134  1  0.776449  0.369321  0.298033  1
  Ni  Ni135  1  0.042720  0.991513  0.333125  1
  Ni  Ni136  1  0.326701  0.746870  0.334886  1
  Ni  Ni137  1  0.577646  0.361973  0.375070  1
  Ni  Ni138  1  0.053255  0.128821  0.301476  1
  Ni  Ni139  1  0.853477  0.791261  0.278214  1
  Ni  Ni140  1  0.055159  0.405256  0.315835  1
  Ni  Ni141  1  0.316032  1.022769  0.354964  1
  Ni  Ni142  1  0.046112  0.709646  0.317205  1
  Ni  Ni143  1  0.300147  0.328527  0.354629  1
  Ni  Ni144  1  0.785298  0.091526  0.278084  1
  Ni  Ni145  1  0.300991  0.507449  0.362330  1
  Ni  Ni146  1  0.789457  0.272591  0.286393  1
  Ni  Ni147  1  0.057505  0.893237  0.325087  1
  Ni  Ni148  1  0.322125  0.844967  0.344231  1
  Ni  Ni149  1  0.796156  0.610126  0.270094  1
  Ni  Ni150  1  0.047486  0.224586  0.307464  1
  Ni  Ni151  1  0.442201  0.600942  0.287132  1
  Ni  Ni152  1  0.700639  0.222652  0.325577  1
  Ni  Ni153  1  0.971077  0.843371  0.364235  1
  Ni  Ni154  1  0.412924  0.897724  0.307452  1
  Ni  Ni155  1  0.650291  0.509529  0.343101  1
  Ni  Ni156  1  0.142589  0.278684  0.269273  1
  Ni  Ni157  1  0.706696  0.646409  0.311803  1
  Ni  Ni158  1  0.961891  0.264434  0.350120  1
  Ni  Ni159  1  0.460694  0.031092  0.275980  1
  Ni  Ni160  1  0.455209  0.721032  0.446319  1
  Ni  Ni161  1  0.932541  0.484440  0.372534  1
  Ni  Ni162  1  0.199207  0.102885  0.411001  1
  Ni  Ni163  1  0.411852  0.642869  0.464756  1
  Ni  Ni164  1  0.891965  0.405878  0.391190  1
  Ni  Ni165  1  0.156640  1.024957  0.429492  1
  Ni  Ni166  1  0.757603  0.416590  0.465908  1
  Ni  Ni167  1  0.239125  0.180836  0.392195  1
  Ni  Ni168  1  0.499610  0.799144  0.428128  1
  Ni  Ni169  1  0.469057  0.588421  0.427100  1
  Ni  Ni170  1  0.731904  0.206154  0.466247  1
  Ni  Ni171  1  0.217631  0.970689  0.391871  1
  Ni  Ni172  1  0.921470  0.617316  0.391314  1
  Ni  Ni173  1  0.182078  0.235552  0.429576  1
  Ni  Ni174  1  0.441555  0.853841  0.466098  1
  Ni  Ni175  1  0.754615  0.604731  0.469684  1
  Ni  Ni176  1  0.234008  0.367975  0.396264  1
  Ni  Ni177  1  0.499340  0.987151  0.434082  1
  Ni  Ni178  1  0.414781  0.454669  0.460728  1
  Ni  Ni179  1  0.895695  0.218394  0.387463  1
  Ni  Ni180  1  0.157821  0.837137  0.423301  1
  Ni  Ni181  1  0.910969  0.703634  0.394747  1
  Ni  Ni182  1  0.168154  0.321355  0.433074  1
  Ni  Ni183  1  0.429068  0.939910  0.470570  1
  Ni  Ni184  1  0.546188  0.727184  0.402549  1
  Ni  Ni185  1  0.803741  0.344530  0.440969  1
  Ni  Ni186  1  0.063314  0.962525  0.478556  1
  Ni  Ni187  1  0.845687  0.478173  0.416139  1
  Ni  Ni188  1  0.109308  0.097069  0.454605  1
  Ni  Ni189  1  0.597147  0.862110  0.378556  1
  Ni  Ni190  1  0.132073  0.506364  0.443176  1
  Ni  Ni191  1  0.613045  0.270026  0.369646  1
  Ni  Ni192  1  0.879033  0.889522  0.406542  1
  Ni  Ni193  1  0.036886  0.552881  0.487209  1
  Ni  Ni194  1  0.517081  0.316368  0.413981  1
  Ni  Ni195  1  0.779503  0.934808  0.451036  1
  Ni  Ni196  1  0.291364  0.606912  0.370630  1
  Ni  Ni197  1  0.552062  0.224788  0.408682  1
  Ni  Ni198  1  0.812828  0.842806  0.444843  1
  Ni  Ni199  1  0.099158  0.598734  0.448159  1
  Ni  Ni200  1  0.362049  0.216924  0.487376  1
  Ni  Ni201  1  0.845623  0.981466  0.412843  1
  Ni  Ni202  1  0.571134  0.641959  0.389455  1
  Ni  Ni203  1  0.829214  0.258466  0.428863  1
  Ni  Ni204  1  0.087742  0.876366  0.465398  1
  Ni  Ni205  1  0.820665  0.564405  0.428481  1
  Ni  Ni206  1  0.085183  0.183112  0.467263  1
  Ni  Ni207  1  0.571892  0.948108  0.392364  1
  Ni  Ni208  1  0.083588  0.362723  0.474644  1
  Ni  Ni209  1  0.565364  0.127684  0.400885  1
  Ni  Ni210  1  0.823224  0.744988  0.436496  1
  Ni  Ni211  1  0.087802  0.697055  0.456184  1
  Ni  Ni212  1  0.566537  0.460366  0.382496  1
  Ni  Ni213  1  0.831450  0.078968  0.420937  1
  Ni  Ni214  1  0.216577  0.459223  0.401311  1
  Ni  Ni215  1  0.480801  0.078238  0.439824  1
  Ni  Ni216  1  0.736950  0.695950  0.475042  1
  Ni  Ni217  1  0.174606  0.746404  0.417329  1
  Ni  Ni218  1  0.432909  0.363305  0.455855  1
  Ni  Ni219  1  0.914700  0.128054  0.382273  1
  Ni  Ni220  1  0.481439  0.501727  0.423844  1
  Ni  Ni221  1  0.744297  0.119956  0.462568  1
  Ni  Ni222  1  0.231413  0.884599  0.387038  1
  Ni  Ni223  1  0.233113  0.575130  0.558043  1
  Ni  Ni224  1  0.716974  0.338666  0.484767  1
  Ni  Ni225  1  0.972003  0.956185  0.522185  1
  Ni  Ni226  1  0.194348  0.497333  0.576975  1
  Ni  Ni227  1  0.675656  0.260845  0.503766  1
  Ni  Ni228  1  0.926824  0.877937  0.540428  1
  Ni  Ni229  1  0.541976  0.271504  0.578717  1
  Ni  Ni230  1  0.016896  0.034575  0.504085  1
  Ni  Ni231  1  0.273820  0.652974  0.539344  1
  Ni  Ni232  1  0.252289  0.442508  0.539565  1
  Ni  Ni233  1  0.505248  0.059744  0.577325  1
  Ni  Ni234  1  0.985651  0.823479  0.502513  1
  Ni  Ni235  1  0.700881  0.471477  0.503155  1
  Ni  Ni236  1  0.960880  0.089080  0.542001  1
  Ni  Ni237  1  0.212101  0.707260  0.576836  1
  Ni  Ni238  1  0.538799  0.459761  0.581764  1
  Ni  Ni239  1  0.018041  0.222948  0.508808  1
  Ni  Ni240  1  0.268761  0.840013  0.545154  1
  Ni  Ni241  1  0.200143  0.309710  0.573096  1
  Ni  Ni242  1  0.675034  0.072901  0.499220  1
  Ni  Ni243  1  0.930271  0.690415  0.534802  1
  Ni  Ni244  1  0.687446  0.557819  0.506508  1
  Ni  Ni245  1  0.950350  0.175900  0.545571  1
  Ni  Ni246  1  0.196744  0.793035  0.581658  1
  Ni  Ni247  1  0.322451  0.580834  0.514391  1
  Ni  Ni248  1  0.587154  0.199521  0.552991  1
  Ni  Ni249  1  0.830117  0.814929  0.590320  1
  Ni  Ni250  1  0.630208  0.333092  0.528588  1
  Ni  Ni251  1  0.879308  0.950008  0.565801  1
  Ni  Ni252  1  0.364974  0.714917  0.490060  1
  Ni  Ni253  1  0.917340  0.361162  0.555733  1
  Ni  Ni254  1  0.394527  0.124913  0.481920  1
  Ni  Ni255  1  0.648746  0.742599  0.517514  1
  Ni  Ni256  1  0.822833  0.407962  0.599399  1
  Ni  Ni257  1  0.299868  0.171249  0.526063  1
  Ni  Ni258  1  0.548644  0.787732  0.562278  1
  Ni  Ni259  1  0.070541  0.460864  0.482104  1
  Ni  Ni260  1  0.331004  0.078630  0.520846  1
  Ni  Ni261  1  0.583868  0.696312  0.555859  1
  Ni  Ni262  1  0.882235  0.453140  0.560523  1
  Ni  Ni263  1  0.134716  0.070243  0.598200  1
  Ni  Ni264  1  0.614355  0.834328  0.523679  1
  Ni  Ni265  1  0.347993  0.494761  0.501985  1
  Ni  Ni266  1  0.609696  0.113187  0.540602  1
  Ni  Ni267  1  0.856762  0.729180  0.576627  1
  Ni  Ni268  1  0.604757  0.419158  0.540687  1
  Ni  Ni269  1  0.855408  0.035009  0.579540  1
  Ni  Ni270  1  0.339257  0.800974  0.503078  1
  Ni  Ni271  1  0.866656  0.217112  0.587290  1
  Ni  Ni272  1  0.340010  0.980213  0.512587  1
  Ni  Ni273  1  0.600249  0.599223  0.547988  1
  Ni  Ni274  1  0.867174  0.550293  0.568187  1
  Ni  Ni275  1  0.350114  0.314729  0.494980  1
  Ni  Ni276  1  0.603573  0.932222  0.532025  1
  Ni  Ni277  1  0.000420  0.314109  0.513868  1
  Ni  Ni278  1  0.251085  0.930470  0.551208  1
  Ni  Ni279  1  0.518197  0.550297  0.586710  1
  Ni  Ni280  1  0.950765  0.599467  0.529180  1
  Ni  Ni281  1  0.215905  0.218818  0.568293  1
  Ni  Ni282  1  0.691107  0.981654  0.493605  1
  Ni  Ni283  1  0.265809  0.356448  0.536392  1
  Ni  Ni284  1  0.513678  0.973023  0.573677  1
  Ni  Ni285  1  -0.000798  0.737505  0.498154  1
  Ni  Ni286  1  0.017285  0.430521  0.672802  1
  Ni  Ni287  1  0.502381  0.192864  0.596233  1
  Ni  Ni288  1  0.736487  0.806849  0.633938  1
  Ni  Ni289  1  0.968522  0.351356  0.688063  1
  Ni  Ni290  1  0.454466  0.114751  0.613871  1
  Ni  Ni291  1  0.692316  0.729323  0.652630  1
  Ni  Ni292  1  0.269869  0.104478  0.694353  1
  Ni  Ni293  1  0.782044  0.886198  0.616431  1
  Ni  Ni294  1  0.058250  0.507133  0.652984  1
  Ni  Ni295  1  0.031055  0.299261  0.650480  1
  Ni  Ni296  1  0.232250  0.915229  0.683801  1
  Ni  Ni297  1  0.757971  0.676624  0.614077  1
  Ni  Ni298  1  0.490805  0.326603  0.616136  1
  Ni  Ni299  1  0.737746  0.940559  0.655827  1
  Ni  Ni300  1  0.006075  0.563296  0.687943  1
  Ni  Ni301  1  0.305352  0.314855  0.694405  1
  Ni  Ni302  1  0.793191  0.074928  0.620612  1
  Ni  Ni303  1  0.039581  0.692458  0.656268  1
  Ni  Ni304  1  0.950835  0.159840  0.684440  1
  Ni  Ni305  1  0.438660  0.925571  0.609672  1
  Ni  Ni306  1  0.722775  0.546374  0.648232  1
  Ni  Ni307  1  0.473873  0.414050  0.619029  1
  Ni  Ni308  1  0.706721  1.026104  0.656171  1
  Ni  Ni309  1  0.970404  0.647191  0.693129  1
  Ni  Ni310  1  0.104848  0.435425  0.628582  1
  Ni  Ni311  1  0.345923  0.047761  0.665636  1
  Ni  Ni312  1  0.610394  0.671664  0.701378  1
  Ni  Ni313  1  0.414500  0.186293  0.639187  1
  Ni  Ni314  1  0.637791  0.801945  0.677588  1
  Ni  Ni315  1  0.147356  0.569253  0.601659  1
  Ni  Ni316  1  0.695691  0.213033  0.667263  1
  Ni  Ni317  1  0.161793  0.977403  0.593844  1
  Ni  Ni318  1  0.437494  0.596115  0.628853  1
  Ni  Ni319  1  0.557973  0.258165  0.702874  1
  Ni  Ni320  1  0.065331  1.023390  0.636732  1
  Ni  Ni321  1  0.326552  0.638580  0.676426  1
  Ni  Ni322  1  0.858757  0.314810  0.594996  1
  Ni  Ni323  1  0.099135  0.929791  0.633672  1
  Ni  Ni324  1  0.379088  0.549799  0.667514  1
  Ni  Ni325  1  0.664695  0.307881  0.670461  1
  Ni  Ni326  1  0.878238  0.924811  0.702048  1
  Ni  Ni327  1  0.387959  0.686396  0.636032  1
  Ni  Ni328  1  0.136616  0.351186  0.613837  1
  Ni  Ni329  1  0.381158  0.966273  0.651436  1
  Ni  Ni330  1  0.644568  0.586208  0.691442  1
  Ni  Ni331  1  0.368589  0.265287  0.658920  1
  Ni  Ni332  1  0.576752  0.886460  0.690668  1
  Ni  Ni333  1  0.115694  0.655591  0.613826  1
  Ni  Ni334  1  0.628295  0.065533  0.698432  1
  Ni  Ni335  1  0.106719  0.832741  0.624563  1
  Ni  Ni336  1  0.387545  0.454191  0.661528  1
  Ni  Ni337  1  0.645390  0.405453  0.682565  1
  Ni  Ni338  1  0.131031  0.170653  0.606905  1
  Ni  Ni339  1  0.371757  0.784067  0.643988  1
  Ni  Ni340  1  0.783215  0.166079  0.626463  1
  Ni  Ni341  1  0.017785  0.779969  0.661511  1
  Ni  Ni342  1  0.293148  0.402033  0.699768  1
  Ni  Ni343  1  0.734713  0.455711  0.643536  1
  Ni  Ni344  1  0.959210  0.072081  0.677460  1
  Ni  Ni345  1  0.456486  0.833744  0.604719  1
  Ni  Ni346  1  0.052603  0.211323  0.649046  1
  Ni  Ni347  1  0.270556  0.825521  0.684169  1
  Ni  Ni348  1  0.780794  0.591213  0.609926  1
