# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.31404185
_cell_length_b   11.93564065
_cell_length_c   49.97612354
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.82434036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10618.6748787
_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  0.194373  0.335532  0.319615  1
  Zr  Zr2  1  0.849707  0.185544  0.358497  1
  Zr  Zr3  1  0.544733  0.496327  0.284648  1
  Zr  Zr4  1  0.393015  0.747128  0.343047  1
  Zr  Zr5  1  0.048961  0.590736  0.381373  1
  Zr  Zr6  1  0.740487  0.900579  0.306716  1
  Zr  Zr7  1  0.176098  0.933148  0.343567  1
  Zr  Zr8  1  0.831272  0.773780  0.376449  1
  Zr  Zr9  1  0.530359  0.105947  0.301244  1
  Zr  Zr10  1  0.411461  0.156944  0.327081  1
  Zr  Zr11  1  0.058725  1.002925  0.361295  1
  Zr  Zr12  1  0.763439  0.291777  0.287997  1
  Zr  Zr13  1  0.351525  0.350593  0.368794  1
  Zr  Zr14  1  0.036408  0.655060  0.295930  1
  Zr  Zr15  1  0.693093  0.499930  0.332436  1
  Zr  Zr16  1  0.250446  0.743087  0.295197  1
  Zr  Zr17  1  0.889896  0.582689  0.332152  1
  Zr  Zr18  1  0.546439  0.433821  0.369163  1
  Zr  Zr19  1  0.356108  0.435059  0.287734  1
  Zr  Zr20  1  0.010248  0.284380  0.323361  1
  Zr  Zr21  1  0.660884  0.123333  0.361321  1
  Zr  Zr22  1  0.235019  0.647146  0.377844  1
  Zr  Zr23  1  0.927709  0.955122  0.304315  1
  Zr  Zr24  1  0.580865  0.810783  0.340845  1
  Zr  Zr25  1  0.157025  0.876645  0.432288  1
  Zr  Zr26  1  0.812219  0.722892  0.469523  1
  Zr  Zr27  1  0.502923  0.030744  0.395086  1
  Zr  Zr28  1  0.357066  0.283037  0.455669  1
  Zr  Zr29  1  0.011299  0.126769  0.493176  1
  Zr  Zr30  1  0.702374  0.435935  0.418557  1
  Zr  Zr31  1  0.140343  0.463399  0.451869  1
  Zr  Zr32  1  0.794209  0.311409  0.489294  1
  Zr  Zr33  1  0.484578  0.619647  0.413725  1
  Zr  Zr34  1  0.373706  0.693146  0.435412  1
  Zr  Zr35  1  0.028764  0.537415  0.473040  1
  Zr  Zr36  1  0.720315  0.844532  0.399277  1
  Zr  Zr37  1  0.313097  0.884051  0.481617  1
  Zr  Zr38  1  0.005089  0.192252  0.406790  1
  Zr  Zr39  1  0.658249  0.037524  0.444643  1
  Zr  Zr40  1  0.199934  0.273503  0.405821  1
  Zr  Zr41  1  0.855534  0.120229  0.443706  1
  Zr  Zr42  1  0.509337  0.966974  0.480870  1
  Zr  Zr43  1  0.315876  0.974867  0.398540  1
  Zr  Zr44  1  0.970675  0.817611  0.435444  1
  Zr  Zr45  1  0.624380  0.663194  0.472948  1
  Zr  Zr46  1  0.198213  0.185488  0.489696  1
  Zr  Zr47  1  0.889666  0.494751  0.415282  1
  Zr  Zr48  1  0.544244  0.342603  0.452361  1
  Zr  Zr49  1  0.120208  0.413193  0.544077  1
  Zr  Zr50  1  0.774895  0.259908  0.581155  1
  Zr  Zr51  1  0.466066  0.569522  0.506640  1
  Zr  Zr52  1  0.320113  0.819642  0.567453  1
  Zr  Zr53  1  0.974498  0.665614  0.604647  1
  Zr  Zr54  1  0.664899  0.972887  0.530331  1
  Zr  Zr55  1  0.103596  1.003140  0.564432  1
  Zr  Zr56  1  0.756190  0.851501  0.600701  1
  Zr  Zr57  1  0.448359  0.158888  0.526667  1
  Zr  Zr58  1  0.336880  0.232792  0.547907  1
  Zr  Zr59  1  0.992449  0.076372  0.586077  1
  Zr  Zr60  1  0.682979  0.384348  0.510573  1
  Zr  Zr61  1  0.277366  0.423083  0.593968  1
  Zr  Zr62  1  0.967961  0.729141  0.518915  1
  Zr  Zr63  1  0.621585  0.575076  0.556125  1
  Zr  Zr64  1  0.164201  0.812130  0.518158  1
  Zr  Zr65  1  0.818930  0.657930  0.555165  1
  Zr  Zr66  1  0.472217  0.503760  0.592899  1
  Zr  Zr67  1  0.279144  0.510832  0.510106  1
  Zr  Zr68  1  0.933021  0.353508  0.547379  1
  Zr  Zr69  1  0.587453  0.200451  0.584410  1
  Zr  Zr70  1  0.161336  0.721119  0.601237  1
  Zr  Zr71  1  0.852859  0.032463  0.526901  1
  Zr  Zr72  1  0.506724  0.879055  0.564437  1
  Zr  Zr73  1  0.084140  0.949111  0.656723  1
  Zr  Zr74  1  0.737307  0.791388  0.692663  1
  Zr  Zr75  1  0.428343  0.105765  0.618417  1
  Zr  Zr76  1  0.282125  0.360168  0.680119  1
  Zr  Zr77  1  0.931548  0.198724  0.715008  1
  Zr  Zr78  1  0.627405  0.510348  0.641451  1
  Zr  Zr79  1  0.065439  0.538341  0.672650  1
  Zr  Zr80  1  0.713851  0.405648  0.711999  1
  Zr  Zr81  1  0.419410  0.695210  0.638679  1
  Zr  Zr82  1  0.300882  0.763374  0.656133  1
  Zr  Zr83  1  0.946925  0.590020  0.698398  1
  Zr  Zr84  1  0.646318  0.922973  0.624502  1
  Zr  Zr85  1  0.226759  0.953880  0.704574  1
  Zr  Zr86  1  0.931146  0.262514  0.630478  1
  Zr  Zr87  1  0.587547  0.110871  0.667612  1
  Zr  Zr88  1  0.125467  0.345178  0.630979  1
  Zr  Zr89  1  0.783536  0.192728  0.667225  1
  Zr  Zr90  1  0.440746  0.042209  0.703737  1
  Zr  Zr91  1  0.242264  0.049576  0.621921  1
  Zr  Zr92  1  0.896017  0.884798  0.658919  1
  Zr  Zr93  1  0.545147  0.731391  0.694673  1
  Zr  Zr94  1  0.120318  0.260634  0.712105  1
  Zr  Zr95  1  0.816824  0.572253  0.638347  1
  Zr  Zr96  1  0.467429  0.414898  0.676625  1
  Ni  Ni97  1  0.469027  0.624062  0.310287  1
  Ni  Ni98  1  0.121220  0.466104  0.349023  1
  Ni  Ni99  1  0.810369  0.776632  0.275091  1
  Ni  Ni100  1  0.445221  0.409348  0.326175  1
  Ni  Ni101  1  0.096783  0.250141  0.363535  1
  Ni  Ni102  1  0.784820  0.553040  0.290375  1
  Ni  Ni103  1  0.148817  0.689802  0.335472  1
  Ni  Ni104  1  0.799415  0.526701  0.374732  1
  Ni  Ni105  1  0.496277  0.848122  0.298504  1
  Ni  Ni106  1  0.430142  0.275589  0.284662  1
  Ni  Ni107  1  0.069640  0.120203  0.318573  1
  Ni  Ni108  1  0.724393  0.965590  0.357293  1
  Ni  Ni109  1  0.176821  0.803516  0.383681  1
  Ni  Ni110  1  0.869582  0.120397  0.309071  1
  Ni  Ni111  1  0.517106  0.968951  0.342697  1
  Ni  Ni112  1  0.203880  0.182571  0.354968  1
  Ni  Ni113  1  0.895012  0.498952  0.282463  1
  Ni  Ni114  1  0.549446  0.336563  0.318919  1
  Ni  Ni115  1  0.392002  0.913841  0.308724  1
  Ni  Ni116  1  0.038364  0.743869  0.344902  1
  Ni  Ni117  1  0.690875  0.591446  0.383281  1
  Ni  Ni118  1  0.237011  0.501667  0.281286  1
  Ni  Ni119  1  0.890607  0.347827  0.317689  1
  Ni  Ni120  1  0.542358  0.190622  0.354635  1
  Ni  Ni121  1  0.430423  0.205568  0.378146  1
  Ni  Ni122  1  0.124944  0.524872  0.301888  1
  Ni  Ni123  1  0.777103  0.359322  0.339110  1
  Ni  Ni124  1  0.158687  0.852966  0.296713  1
  Ni  Ni125  1  0.810954  0.732577  0.321992  1
  Ni  Ni126  1  0.467190  0.581888  0.358945  1
  Ni  Ni127  1  0.288308  1.002226  0.307987  1
  Ni  Ni128  1  0.940807  0.829922  0.342939  1
  Ni  Ni129  1  0.596233  0.689478  0.381356  1
  Ni  Ni130  1  0.300541  0.094250  0.358013  1
  Ni  Ni131  1  0.994636  0.417617  0.284582  1
  Ni  Ni132  1  0.651333  0.246272  0.321638  1
  Ni  Ni133  1  0.282190  0.850015  0.344611  1
  Ni  Ni134  1  0.937106  0.691973  0.383280  1
  Ni  Ni135  1  0.628750  1.006425  0.309199  1
  Ni  Ni136  1  0.306819  0.236090  0.319546  1
  Ni  Ni137  1  0.958652  0.086563  0.355366  1
  Ni  Ni138  1  0.651068  0.385613  0.284643  1
  Ni  Ni139  1  0.404062  0.990037  0.356082  1
  Ni  Ni140  1  0.098902  0.326955  0.279283  1
  Ni  Ni141  1  0.751934  0.135911  0.321327  1
  Ni  Ni142  1  0.181715  0.082821  0.306907  1
  Ni  Ni143  1  0.838075  0.940539  0.344677  1
  Ni  Ni144  1  0.490773  0.789380  0.383127  1
  Ni  Ni145  1  0.247477  0.582784  0.327907  1
  Ni  Ni146  1  0.901356  0.428924  0.366156  1
  Ni  Ni147  1  0.595812  0.753997  0.291127  1
  Ni  Ni148  1  0.341396  0.505868  0.333607  1
  Ni  Ni149  1  0.995532  0.348838  0.372237  1
  Ni  Ni150  1  0.686021  0.654946  0.296646  1
  Ni  Ni151  1  0.232947  0.428435  0.367812  1
  Ni  Ni152  1  0.919699  0.731976  0.293125  1
  Ni  Ni153  1  0.579329  0.592848  0.330748  1
  Ni  Ni154  1  0.361637  0.667839  0.294371  1
  Ni  Ni155  1  0.010745  0.506244  0.332859  1
  Ni  Ni156  1  0.663772  0.345996  0.370385  1
  Ni  Ni157  1  0.355182  0.585694  0.383513  1
  Ni  Ni158  1  0.047383  0.892569  0.309175  1
  Ni  Ni159  1  0.700377  0.739637  0.345992  1
  Ni  Ni160  1  0.430313  0.156566  0.425752  1
  Ni  Ni161  1  0.084004  1.001790  0.463030  1
  Ni  Ni162  1  0.775123  0.309032  0.387592  1
  Ni  Ni163  1  0.405198  0.939648  0.439417  1
  Ni  Ni164  1  0.059907  0.785063  0.476520  1
  Ni  Ni165  1  0.750634  0.092517  0.402490  1
  Ni  Ni166  1  0.108401  0.218053  0.448789  1
  Ni  Ni167  1  0.762926  0.064600  0.486014  1
  Ni  Ni168  1  0.454580  0.373796  0.411866  1
  Ni  Ni169  1  0.375429  0.814260  0.393499  1
  Ni  Ni170  1  0.032009  0.659268  0.431019  1
  Ni  Ni171  1  0.686635  0.505529  0.468425  1
  Ni  Ni172  1  0.137397  0.344051  0.494404  1
  Ni  Ni173  1  0.828256  0.654159  0.419451  1
  Ni  Ni174  1  0.482145  0.500909  0.456649  1
  Ni  Ni175  1  0.168851  0.722714  0.467831  1
  Ni  Ni176  1  0.859670  0.029347  0.393055  1
  Ni  Ni177  1  0.514283  0.877568  0.430495  1
  Ni  Ni178  1  0.344569  0.434348  0.420010  1
  Ni  Ni179  1  -0.000636  0.279942  0.457584  1
  Ni  Ni180  1  0.653598  0.126675  0.494935  1
  Ni  Ni181  1  0.194974  0.036670  0.392504  1
  Ni  Ni182  1  0.849745  0.880664  0.429395  1
  Ni  Ni183  1  0.504035  0.727589  0.466289  1
  Ni  Ni184  1  0.392912  0.741576  0.488756  1
  Ni  Ni185  1  0.083318  0.047227  0.414797  1
  Ni  Ni186  1  0.738314  0.894805  0.451926  1
  Ni  Ni187  1  0.121390  0.418671  0.397785  1
  Ni  Ni188  1  0.775370  0.263721  0.436034  1
  Ni  Ni189  1  0.429837  0.110168  0.473605  1
  Ni  Ni190  1  0.250702  0.528225  0.418712  1
  Ni  Ni191  1  0.905029  0.375803  0.456175  1
  Ni  Ni192  1  0.559269  0.223138  0.493407  1
  Ni  Ni193  1  0.263333  0.628274  0.468780  1
  Ni  Ni194  1  0.952882  0.935075  0.394781  1
  Ni  Ni195  1  0.608398  0.780295  0.431970  1
  Ni  Ni196  1  0.245158  0.381834  0.457218  1
  Ni  Ni197  1  0.899487  0.229595  0.494599  1
  Ni  Ni198  1  0.590943  0.541317  0.420121  1
  Ni  Ni199  1  0.268302  0.775758  0.430452  1
  Ni  Ni200  1  0.923845  0.619775  0.467961  1
  Ni  Ni201  1  0.614976  0.926791  0.394011  1
  Ni  Ni202  1  0.367213  0.527537  0.467075  1
  Ni  Ni203  1  0.061170  0.836638  0.392128  1
  Ni  Ni204  1  0.713915  0.680377  0.430513  1
  Ni  Ni205  1  0.146516  0.629213  0.420959  1
  Ni  Ni206  1  0.801034  0.477732  0.457829  1
  Ni  Ni207  1  0.454829  0.324479  0.495007  1
  Ni  Ni208  1  0.210025  0.120517  0.440597  1
  Ni  Ni209  1  0.864618  0.965789  0.477919  1
  Ni  Ni210  1  0.556202  0.275595  0.403342  1
  Ni  Ni211  1  0.303695  0.039652  0.447605  1
  Ni  Ni212  1  0.958184  0.883815  0.484767  1
  Ni  Ni213  1  0.649141  0.192410  0.410226  1
  Ni  Ni214  1  0.196105  0.967053  0.480757  1
  Ni  Ni215  1  0.887946  0.276227  0.406509  1
  Ni  Ni216  1  0.541918  0.122772  0.443587  1
  Ni  Ni217  1  0.318298  0.194800  0.407551  1
  Ni  Ni218  1  0.971940  0.036321  0.444619  1
  Ni  Ni219  1  0.626156  0.881782  0.481849  1
  Ni  Ni220  1  0.318372  0.123757  0.496015  1
  Ni  Ni221  1  0.010117  0.430467  0.421349  1
  Ni  Ni222  1  0.663937  0.277249  0.458751  1
  Ni  Ni223  1  0.393421  0.694557  0.536892  1
  Ni  Ni224  1  0.046952  0.539609  0.573956  1
  Ni  Ni225  1  0.738571  0.847981  0.500043  1
  Ni  Ni226  1  0.369006  0.478339  0.551034  1
  Ni  Ni227  1  0.022770  0.322505  0.587818  1
  Ni  Ni228  1  0.714257  0.631213  0.513815  1
  Ni  Ni229  1  0.072104  0.756593  0.560345  1
  Ni  Ni230  1  0.726568  0.603253  0.597309  1
  Ni  Ni231  1  0.417427  0.911108  0.523294  1
  Ni  Ni232  1  0.339967  0.352230  0.505388  1
  Ni  Ni233  1  0.995164  0.195239  0.543119  1
  Ni  Ni234  1  0.649280  0.040487  0.580731  1
  Ni  Ni235  1  0.101900  0.881779  0.606335  1
  Ni  Ni236  1  0.790715  0.190105  0.531395  1
  Ni  Ni237  1  0.444941  0.037072  0.568696  1
  Ni  Ni238  1  0.132706  0.261949  0.579779  1
  Ni  Ni239  1  0.823600  0.569067  0.504851  1
  Ni  Ni240  1  0.477861  0.415940  0.542159  1
  Ni  Ni241  1  0.308425  0.973524  0.531935  1
  Ni  Ni242  1  0.962998  0.818543  0.569252  1
  Ni  Ni243  1  0.617575  0.666284  0.606682  1
  Ni  Ni244  1  0.158880  0.572458  0.503731  1
  Ni  Ni245  1  0.813268  0.418564  0.541031  1
  Ni  Ni246  1  0.467182  0.265692  0.578450  1
  Ni  Ni247  1  0.356000  0.277770  0.602025  1
  Ni  Ni248  1  0.047439  0.586043  0.526119  1
  Ni  Ni249  1  0.701787  0.431515  0.563892  1
  Ni  Ni250  1  0.084409  0.954563  0.511105  1
  Ni  Ni251  1  0.738791  0.800454  0.548104  1
  Ni  Ni252  1  0.394220  0.649139  0.585184  1
  Ni  Ni253  1  0.213971  0.067913  0.531025  1
  Ni  Ni254  1  0.868616  0.915203  0.567863  1
  Ni  Ni255  1  0.525096  0.762211  0.605026  1
  Ni  Ni256  1  0.226661  0.168599  0.581095  1
  Ni  Ni257  1  0.917992  0.472971  0.506340  1
  Ni  Ni258  1  0.572163  0.319661  0.543626  1
  Ni  Ni259  1  0.208944  0.920367  0.569348  1
  Ni  Ni260  1  0.862125  0.769172  0.605706  1
  Ni  Ni261  1  0.553269  0.076363  0.531777  1
  Ni  Ni262  1  0.232187  0.314758  0.542594  1
  Ni  Ni263  1  0.886274  0.154654  0.579623  1
  Ni  Ni264  1  0.577767  0.466085  0.505200  1
  Ni  Ni265  1  0.330609  0.067161  0.578820  1
  Ni  Ni266  1  0.022438  0.371780  0.504696  1
  Ni  Ni267  1  0.676217  0.217692  0.541948  1
  Ni  Ni268  1  0.110192  0.168719  0.532725  1
  Ni  Ni269  1  0.763435  0.015208  0.569285  1
  Ni  Ni270  1  0.415760  0.860042  0.607551  1
  Ni  Ni271  1  0.173592  0.656499  0.552151  1
  Ni  Ni272  1  0.828050  0.503000  0.589559  1
  Ni  Ni273  1  0.519092  0.812356  0.515062  1
  Ni  Ni274  1  0.267399  0.575873  0.559220  1
  Ni  Ni275  1  0.921089  0.420572  0.596422  1
  Ni  Ni276  1  0.612589  0.729977  0.521984  1
  Ni  Ni277  1  0.159008  0.501360  0.592205  1
  Ni  Ni278  1  0.851017  0.813818  0.517994  1
  Ni  Ni279  1  0.505490  0.660304  0.555256  1
  Ni  Ni280  1  0.281221  0.729135  0.519036  1
  Ni  Ni281  1  0.935342  0.573238  0.556167  1
  Ni  Ni282  1  0.589289  0.418886  0.593340  1
  Ni  Ni283  1  0.282389  0.659892  0.607257  1
  Ni  Ni284  1  0.973205  0.968514  0.533509  1
  Ni  Ni285  1  0.627554  0.815347  0.570501  1
  Ni  Ni286  1  0.356378  0.231324  0.650890  1
  Ni  Ni287  1  0.007606  0.071358  0.689505  1
  Ni  Ni288  1  0.702215  0.387475  0.612476  1
  Ni  Ni289  1  0.328585  1.007199  0.664282  1
  Ni  Ni290  1  0.980814  0.847724  0.701268  1
  Ni  Ni291  1  0.677960  0.170270  0.624731  1
  Ni  Ni292  1  0.031296  0.285737  0.673623  1
  Ni  Ni293  1  0.693163  0.150955  0.708425  1
  Ni  Ni294  1  0.380353  0.446347  0.636090  1
  Ni  Ni295  1  0.300261  0.893135  0.616049  1
  Ni  Ni296  1  0.960392  0.727447  0.656991  1
  Ni  Ni297  1  0.609070  0.573528  0.691358  1
  Ni  Ni298  1  0.045620  0.419395  0.715130  1
  Ni  Ni299  1  0.752856  0.729700  0.642395  1
  Ni  Ni300  1  0.404407  0.574418  0.680864  1
  Ni  Ni301  1  0.085177  0.782608  0.691054  1
  Ni  Ni302  1  0.786422  0.104267  0.616427  1
  Ni  Ni303  1  0.438934  0.952355  0.654875  1
  Ni  Ni304  1  0.273703  0.514303  0.644893  1
  Ni  Ni305  1  0.927243  0.358757  0.680647  1
  Ni  Ni306  1  0.581525  0.196988  0.717258  1
  Ni  Ni307  1  0.121881  0.110361  0.616274  1
  Ni  Ni308  1  0.775441  0.954749  0.654246  1
  Ni  Ni309  1  0.429062  0.803288  0.690719  1
  Ni  Ni310  1  0.318221  0.843921  0.702961  1
  Ni  Ni311  1  0.009728  0.113675  0.640870  1
  Ni  Ni312  1  0.664681  0.952747  0.681436  1
  Ni  Ni313  1  0.047034  0.490747  0.621555  1
  Ni  Ni314  1  0.699848  0.334127  0.660996  1
  Ni  Ni315  1  0.352300  0.172160  0.697938  1
  Ni  Ni316  1  0.176808  0.601528  0.641781  1
  Ni  Ni317  1  0.825500  0.448069  0.678068  1
  Ni  Ni318  1  0.482676  0.280622  0.715176  1
  Ni  Ni319  1  0.188303  0.694587  0.691629  1
  Ni  Ni320  1  0.880446  1.006150  0.618509  1
  Ni  Ni321  1  0.537090  0.866538  0.657527  1
  Ni  Ni322  1  0.169766  0.459300  0.680198  1
  Ni  Ni323  1  0.826912  0.311325  0.715095  1
  Ni  Ni324  1  0.518076  0.608759  0.643942  1
  Ni  Ni325  1  0.195085  0.847119  0.655137  1
  Ni  Ni326  1  0.848756  0.688636  0.690531  1
  Ni  Ni327  1  0.540199  1.003216  0.616627  1
  Ni  Ni328  1  0.294173  0.613773  0.692978  1
  Ni  Ni329  1  0.986404  0.906480  0.616635  1
  Ni  Ni330  1  0.638630  0.752904  0.655296  1
  Ni  Ni331  1  0.073387  0.705884  0.643776  1
  Ni  Ni332  1  0.725938  0.558665  0.678140  1
  Ni  Ni333  1  0.378057  0.370393  0.720414  1
  Ni  Ni334  1  0.135503  0.190065  0.666201  1
  Ni  Ni335  1  0.790961  0.040002  0.703508  1
  Ni  Ni336  1  0.481928  0.347734  0.627666  1
  Ni  Ni337  1  0.229737  0.113622  0.671821  1
  Ni  Ni338  1  0.880821  0.940683  0.708612  1
  Ni  Ni339  1  0.575869  0.265734  0.633623  1
  Ni  Ni340  1  0.115444  0.028378  0.705387  1
  Ni  Ni341  1  0.813437  0.348920  0.629491  1
  Ni  Ni342  1  0.466807  0.191036  0.666952  1
  Ni  Ni343  1  0.244251  0.268055  0.631947  1
  Ni  Ni344  1  0.896957  0.101896  0.668997  1
  Ni  Ni345  1  0.556043  0.962819  0.707121  1
  Ni  Ni346  1  0.239971  0.194798  0.718492  1
  Ni  Ni347  1  0.935069  0.505630  0.645053  1
  Ni  Ni348  1  0.586634  0.346992  0.682028  1
