# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60156401
_cell_length_b   28.72816901
_cell_length_c   54.91653703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.13187010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10413.7722559
_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  0.267875  0.140904  0.350453  1
  Zr  Zr2  1  0.509902  0.754901  0.313312  1
  Zr  Zr3  1  0.769521  0.373615  0.277474  1
  Zr  Zr4  1  0.625531  0.858984  0.269506  1
  Zr  Zr5  1  0.115674  0.627190  0.342929  1
  Zr  Zr6  1  0.382573  0.247662  0.305686  1
  Zr  Zr7  1  0.504740  0.909506  0.342592  1
  Zr  Zr8  1  0.745715  0.518585  0.302853  1
  Zr  Zr9  1  0.035888  0.141687  0.272418  1
  Zr  Zr10  1  0.420373  0.089632  0.276209  1
  Zr  Zr11  1  0.875603  0.857025  0.347771  1
  Zr  Zr12  1  0.146308  0.480285  0.316001  1
  Zr  Zr13  1  0.707990  1.000091  0.300733  1
  Zr  Zr14  1  0.933740  0.613052  0.267287  1
  Zr  Zr15  1  0.449446  0.385962  0.339036  1
  Zr  Zr16  1  0.205159  1.001014  0.317495  1
  Zr  Zr17  1  0.424449  0.611132  0.281610  1
  Zr  Zr18  1  0.936700  0.383691  0.355837  1
  Zr  Zr19  1  0.772514  0.136178  0.335011  1
  Zr  Zr20  1  0.009546  0.745942  0.295626  1
  Zr  Zr21  1  0.279451  0.375150  0.263975  1
  Zr  Zr22  1  0.119850  0.869651  0.284004  1
  Zr  Zr23  1  0.606895  0.630236  0.358308  1
  Zr  Zr24  1  0.878982  0.251481  0.321787  1
  Zr  Zr25  1  0.485220  0.290023  0.462133  1
  Zr  Zr26  1  0.742391  0.905981  0.423425  1
  Zr  Zr27  1  -0.000568  0.523103  0.389139  1
  Zr  Zr28  1  0.865459  1.011742  0.379187  1
  Zr  Zr29  1  0.345083  0.778595  0.453262  1
  Zr  Zr30  1  0.605453  0.395849  0.417806  1
  Zr  Zr31  1  0.729212  0.058523  0.453557  1
  Zr  Zr32  1  0.981942  0.673848  0.416440  1
  Zr  Zr33  1  0.245964  0.292949  0.380370  1
  Zr  Zr34  1  0.622247  0.244406  0.387161  1
  Zr  Zr35  1  0.103360  1.009767  0.460448  1
  Zr  Zr36  1  0.362147  0.628589  0.425512  1
  Zr  Zr37  1  0.931170  0.152153  0.412206  1
  Zr  Zr38  1  0.180410  0.767551  0.374139  1
  Zr  Zr39  1  0.672615  0.535972  0.450793  1
  Zr  Zr40  1  0.421050  0.150467  0.428747  1
  Zr  Zr41  1  0.672519  0.765704  0.390997  1
  Zr  Zr42  1  0.162030  0.534016  0.467447  1
  Zr  Zr43  1  0.992857  0.286300  0.446657  1
  Zr  Zr44  1  0.247169  0.901924  0.407899  1
  Zr  Zr45  1  0.510904  0.519445  0.373584  1
  Zr  Zr46  1  0.357602  1.016286  0.394717  1
  Zr  Zr47  1  0.836407  0.781975  0.468682  1
  Zr  Zr48  1  0.097998  0.399677  0.433275  1
  Zr  Zr49  1  0.708067  0.440408  0.573567  1
  Zr  Zr50  1  0.967747  0.056308  0.534937  1
  Zr  Zr51  1  0.227457  0.673544  0.499445  1
  Zr  Zr52  1  0.088199  0.162125  0.490618  1
  Zr  Zr53  1  0.573163  0.929009  0.563594  1
  Zr  Zr54  1  0.830571  0.546187  0.529304  1
  Zr  Zr55  1  0.951439  0.207737  0.565558  1
  Zr  Zr56  1  0.210336  0.823557  0.527210  1
  Zr  Zr57  1  0.469830  0.442355  0.492286  1
  Zr  Zr58  1  0.844206  0.393644  0.499203  1
  Zr  Zr59  1  0.327535  0.159212  0.572403  1
  Zr  Zr60  1  0.590426  0.778285  0.536260  1
  Zr  Zr61  1  0.152557  0.301693  0.524001  1
  Zr  Zr62  1  0.410792  0.918107  0.485281  1
  Zr  Zr63  1  0.899774  0.686460  0.561706  1
  Zr  Zr64  1  0.642468  0.300007  0.540536  1
  Zr  Zr65  1  0.900221  0.916186  0.501935  1
  Zr  Zr66  1  0.391548  0.684585  0.578529  1
  Zr  Zr67  1  0.215937  0.435905  0.558054  1
  Zr  Zr68  1  0.475165  0.052462  0.519471  1
  Zr  Zr69  1  0.736160  0.670183  0.484020  1
  Zr  Zr70  1  0.580519  0.165857  0.506096  1
  Zr  Zr71  1  0.061698  0.932703  0.579146  1
  Zr  Zr72  1  0.325632  0.550226  0.544788  1
  Zr  Zr73  1  0.945467  0.592316  0.683718  1
  Zr  Zr74  1  0.191479  0.204513  0.647065  1
  Zr  Zr75  1  0.456395  0.824908  0.609786  1
  Zr  Zr76  1  0.306487  0.311280  0.602289  1
  Zr  Zr77  1  0.803707  0.078467  0.675259  1
  Zr  Zr78  1  0.061188  0.697220  0.639418  1
  Zr  Zr79  1  0.152881  0.361699  0.676604  1
  Zr  Zr80  1  0.426547  0.971890  0.636732  1
  Zr  Zr81  1  0.696324  0.594897  0.605051  1
  Zr  Zr82  1  0.068006  0.542874  0.610054  1
  Zr  Zr83  1  0.538290  0.310564  0.680447  1
  Zr  Zr84  1  0.826592  0.933452  0.649828  1
  Zr  Zr85  1  0.371861  0.451355  0.635230  1
  Zr  Zr86  1  0.636529  0.068414  0.596903  1
  Zr  Zr87  1  0.147101  0.840926  0.671080  1
  Zr  Zr88  1  0.863756  0.451212  0.651900  1
  Zr  Zr89  1  0.123828  0.066207  0.613703  1
  Zr  Zr90  1  0.637758  0.839201  0.685403  1
  Zr  Zr91  1  0.447937  0.583130  0.668784  1
  Zr  Zr92  1  0.695087  0.200651  0.630969  1
  Zr  Zr93  1  0.965221  0.821837  0.594410  1
  Zr  Zr94  1  0.801709  0.315849  0.617701  1
  Zr  Zr95  1  0.293798  0.077127  0.688759  1
  Zr  Zr96  1  0.561402  0.705943  0.657042  1
  Ni  Ni97  1  0.566858  0.076415  0.364940  1
  Ni  Ni98  1  0.810153  0.688569  0.326944  1
  Ni  Ni99  1  0.075826  0.311055  0.289157  1
  Ni  Ni100  1  0.374692  0.999181  0.270417  1
  Ni  Ni101  1  0.848926  0.768015  0.343472  1
  Ni  Ni102  1  0.112635  0.387723  0.308988  1
  Ni  Ni103  1  0.531833  0.998782  0.347959  1
  Ni  Ni104  1  0.763790  0.610486  0.310099  1
  Ni  Ni105  1  0.041529  0.231825  0.274521  1
  Ni  Ni106  1  0.562565  0.207523  0.344800  1
  Ni  Ni107  1  0.816847  0.819147  0.304321  1
  Ni  Ni108  1  0.023872  0.444460  0.276345  1
  Ni  Ni109  1  0.312654  0.796153  0.277438  1
  Ni  Ni110  1  0.825446  0.558023  0.346181  1
  Ni  Ni111  1  0.089651  0.181000  0.311659  1
  Ni  Ni112  1  0.038209  0.043508  0.277666  1
  Ni  Ni113  1  0.506743  0.808606  0.351432  1
  Ni  Ni114  1  0.779614  0.427535  0.313790  1
  Ni  Ni115  1  0.872543  0.958410  0.340133  1
  Ni  Ni116  1  0.107074  0.571894  0.306261  1
  Ni  Ni117  1  0.380124  0.192257  0.267768  1
  Ni  Ni118  1  0.118910  0.093479  0.313171  1
  Ni  Ni119  1  0.348282  0.705844  0.277374  1
  Ni  Ni120  1  0.849301  0.474444  0.351419  1
  Ni  Ni121  1  0.482083  0.069638  0.321842  1
  Ni  Ni122  1  0.709008  0.682398  0.284247  1
  Ni  Ni123  1  0.215198  0.453463  0.360858  1
  Ni  Ni124  1  0.424433  0.929715  0.294497  1
  Ni  Ni125  1  0.665757  0.548961  0.258617  1
  Ni  Ni126  1  0.168315  0.316337  0.333371  1
  Ni  Ni127  1  0.149704  0.904838  0.324792  1
  Ni  Ni128  1  0.389602  0.517947  0.286417  1
  Ni  Ni129  1  0.677752  0.144196  0.254476  1
  Ni  Ni130  1  0.762641  0.097863  0.294299  1
  Ni  Ni131  1  0.229804  0.863199  0.366204  1
  Ni  Ni132  1  0.501748  0.479216  0.332848  1
  Ni  Ni133  1  0.957442  0.806939  0.258692  1
  Ni  Ni134  1  0.454129  0.567993  0.325964  1
  Ni  Ni135  1  0.722465  0.190851  0.291312  1
  Ni  Ni136  1  0.927235  0.197244  0.366821  1
  Ni  Ni137  1  0.174483  0.810230  0.326801  1
  Ni  Ni138  1  0.437116  0.429693  0.295563  1
  Ni  Ni139  1  0.431050  0.151774  0.306680  1
  Ni  Ni140  1  0.654858  0.764666  0.269997  1
  Ni  Ni141  1  0.181863  0.537450  0.349060  1
  Ni  Ni142  1  0.469105  0.848889  0.310811  1
  Ni  Ni143  1  0.662403  0.461712  0.265959  1
  Ni  Ni144  1  0.216022  0.233880  0.348472  1
  Ni  Ni145  1  0.199234  0.050840  0.355498  1
  Ni  Ni146  1  0.443784  0.663967  0.318228  1
  Ni  Ni147  1  0.710592  0.282099  0.281678  1
  Ni  Ni148  1  0.716497  0.945589  0.264127  1
  Ni  Ni149  1  0.177897  0.716665  0.335847  1
  Ni  Ni150  1  0.444394  0.336401  0.300302  1
  Ni  Ni151  1  0.051341  0.954529  0.283783  1
  Ni  Ni152  1  0.527358  0.717202  0.356259  1
  Ni  Ni153  1  0.793202  0.337243  0.319589  1
  Ni  Ni154  1  0.854659  0.049199  0.335527  1
  Ni  Ni155  1  0.091241  0.660018  0.299837  1
  Ni  Ni156  1  0.364566  0.284238  0.263151  1
  Ni  Ni157  1  0.787970  0.907210  0.305442  1
  Ni  Ni158  1  0.038473  0.527302  0.269322  1
  Ni  Ni159  1  0.536667  0.294167  0.343100  1
  Ni  Ni160  1  0.786712  0.226073  0.476374  1
  Ni  Ni161  1  0.042773  0.841798  0.438225  1
  Ni  Ni162  1  0.303110  0.460126  0.403604  1
  Ni  Ni163  1  0.602274  0.154519  0.382273  1
  Ni  Ni164  1  0.080099  0.919675  0.455516  1
  Ni  Ni165  1  0.340702  0.537749  0.421194  1
  Ni  Ni166  1  0.750753  0.148513  0.458572  1
  Ni  Ni167  1  0.004570  0.764276  0.420806  1
  Ni  Ni168  1  0.267534  0.382361  0.385855  1
  Ni  Ni169  1  0.778135  0.357186  0.457657  1
  Ni  Ni170  1  0.036915  0.973076  0.418772  1
  Ni  Ni171  1  0.290498  0.591399  0.384870  1
  Ni  Ni172  1  0.567612  0.945144  0.384405  1
  Ni  Ni173  1  0.054581  0.710632  0.457748  1
  Ni  Ni174  1  0.312488  0.328790  0.422240  1
  Ni  Ni175  1  0.260223  0.193656  0.389147  1
  Ni  Ni176  1  0.739535  0.959343  0.462003  1
  Ni  Ni177  1  -0.000315  0.576858  0.426688  1
  Ni  Ni178  1  0.092120  0.108975  0.452085  1
  Ni  Ni179  1  0.345717  0.725294  0.415404  1
  Ni  Ni180  1  0.608731  0.342780  0.379365  1
  Ni  Ni181  1  0.333630  0.243054  0.424706  1
  Ni  Ni182  1  0.587621  0.858709  0.386321  1
  Ni  Ni183  1  0.073262  0.625698  0.462288  1
  Ni  Ni184  1  0.698456  0.220053  0.433328  1
  Ni  Ni185  1  0.952149  0.835738  0.395015  1
  Ni  Ni186  1  0.440259  0.603880  0.471458  1
  Ni  Ni187  1  0.653195  0.082553  0.407729  1
  Ni  Ni188  1  0.902802  0.697467  0.370013  1
  Ni  Ni189  1  0.393491  0.466096  0.446395  1
  Ni  Ni190  1  0.372809  0.054958  0.436070  1
  Ni  Ni191  1  0.625824  0.670949  0.399318  1
  Ni  Ni192  1  0.891758  0.289337  0.363164  1
  Ni  Ni193  1  0.978733  0.247575  0.405144  1
  Ni  Ni194  1  0.459857  1.013446  0.478022  1
  Ni  Ni195  1  0.718626  0.631046  0.442581  1
  Ni  Ni196  1  0.202612  0.956131  0.363143  1
  Ni  Ni197  1  0.684231  0.721902  0.437001  1
  Ni  Ni198  1  0.944535  0.339608  0.401343  1
  Ni  Ni199  1  0.145655  0.346484  0.478622  1
  Ni  Ni200  1  0.404081  0.962399  0.439805  1
  Ni  Ni201  1  0.660245  0.579986  0.405141  1
  Ni  Ni202  1  0.659668  0.302857  0.420169  1
  Ni  Ni203  1  0.911666  0.917711  0.380514  1
  Ni  Ni204  1  0.405793  0.687285  0.457849  1
  Ni  Ni205  1  0.690939  0.999430  0.421265  1
  Ni  Ni206  1  0.938435  0.614396  0.384450  1
  Ni  Ni207  1  0.431067  0.383064  0.459820  1
  Ni  Ni208  1  0.419894  0.200131  0.466995  1
  Ni  Ni209  1  0.675718  0.815950  0.428959  1
  Ni  Ni210  1  0.936602  0.433709  0.394180  1
  Ni  Ni211  1  0.933228  0.102258  0.374160  1
  Ni  Ni212  1  0.409773  0.868019  0.447299  1
  Ni  Ni213  1  0.670478  0.485768  0.412860  1
  Ni  Ni214  1  0.279501  0.102992  0.393783  1
  Ni  Ni215  1  0.757218  0.868573  0.466950  1
  Ni  Ni216  1  0.018640  0.486352  0.432659  1
  Ni  Ni217  1  0.073168  0.199779  0.447235  1
  Ni  Ni218  1  0.327037  0.815287  0.409095  1
  Ni  Ni219  1  0.590118  0.433011  0.374858  1
  Ni  Ni220  1  0.018306  0.059504  0.416344  1
  Ni  Ni221  1  0.269883  0.676159  0.379774  1
  Ni  Ni222  1  0.758322  0.443231  0.455073  1
  Ni  Ni223  1  0.007239  0.375811  0.587874  1
  Ni  Ni224  1  0.269801  0.992011  0.549132  1
  Ni  Ni225  1  0.529969  0.610351  0.514492  1
  Ni  Ni226  1  0.822741  0.303639  0.494176  1
  Ni  Ni227  1  0.305661  0.069776  0.566886  1
  Ni  Ni228  1  0.567853  0.687879  0.531893  1
  Ni  Ni229  1  0.971673  0.297677  0.570467  1
  Ni  Ni230  1  0.232018  0.914385  0.531541  1
  Ni  Ni231  1  0.492788  0.532466  0.497200  1
  Ni  Ni232  1  0.005431  0.506980  0.568356  1
  Ni  Ni233  1  0.260795  0.123377  0.530523  1
  Ni  Ni234  1  0.517947  0.741513  0.494947  1
  Ni  Ni235  1  0.795130  0.094974  0.495101  1
  Ni  Ni236  1  0.281820  0.860737  0.567872  1
  Ni  Ni237  1  0.536385  0.479069  0.533948  1
  Ni  Ni238  1  0.481366  0.343182  0.500658  1
  Ni  Ni239  1  0.964618  0.109375  0.573379  1
  Ni  Ni240  1  0.226602  0.726848  0.537293  1
  Ni  Ni241  1  0.313515  0.258494  0.563621  1
  Ni  Ni242  1  0.572966  0.875275  0.526028  1
  Ni  Ni243  1  0.833446  0.492812  0.490743  1
  Ni  Ni244  1  0.555259  0.392657  0.536402  1
  Ni  Ni245  1  0.814779  1.008927  0.497673  1
  Ni  Ni246  1  0.302182  0.775950  0.572939  1
  Ni  Ni247  1  0.920501  0.369622  0.545045  1
  Ni  Ni248  1  0.179543  0.986051  0.506343  1
  Ni  Ni249  1  0.669265  0.754636  0.582686  1
  Ni  Ni250  1  0.875053  0.232096  0.519414  1
  Ni  Ni251  1  0.132414  0.848261  0.481258  1
  Ni  Ni252  1  0.620409  0.616466  0.557723  1
  Ni  Ni253  1  0.594807  0.204558  0.547609  1
  Ni  Ni254  1  0.853932  0.821110  0.510127  1
  Ni  Ni255  1  0.113292  0.438696  0.474725  1
  Ni  Ni256  1  0.200665  0.397199  0.516690  1
  Ni  Ni257  1  0.681916  0.162798  0.589587  1
  Ni  Ni258  1  0.946426  0.781185  0.553391  1
  Ni  Ni259  1  0.427729  0.105675  0.474132  1
  Ni  Ni260  1  0.912250  0.872148  0.547592  1
  Ni  Ni261  1  0.169044  0.489727  0.512922  1
  Ni  Ni262  1  0.370752  0.496165  0.589585  1
  Ni  Ni263  1  0.628746  0.112522  0.551407  1
  Ni  Ni264  1  0.888210  0.730254  0.515699  1
  Ni  Ni265  1  0.882488  0.452740  0.531494  1
  Ni  Ni266  1  0.142151  0.069079  0.492915  1
  Ni  Ni267  1  0.633784  0.837715  0.568254  1
  Ni  Ni268  1  0.913615  0.149285  0.532575  1
  Ni  Ni269  1  0.166747  0.764860  0.494858  1
  Ni  Ni270  1  0.661273  0.534521  0.572160  1
  Ni  Ni271  1  0.640728  0.349882  0.578575  1
  Ni  Ni272  1  0.902371  0.966384  0.539872  1
  Ni  Ni273  1  0.162974  0.584123  0.505409  1
  Ni  Ni274  1  0.153571  0.252019  0.485754  1
  Ni  Ni275  1  0.636429  1.018402  0.558559  1
  Ni  Ni276  1  0.896840  0.636216  0.523751  1
  Ni  Ni277  1  0.500338  0.252379  0.505512  1
  Ni  Ni278  1  0.982928  1.019145  0.577887  1
  Ni  Ni279  1  0.245435  0.636832  0.543600  1
  Ni  Ni280  1  0.294249  0.349191  0.558971  1
  Ni  Ni281  1  0.554257  0.965772  0.520071  1
  Ni  Ni282  1  0.815522  0.583585  0.485776  1
  Ni  Ni283  1  0.239922  0.209111  0.528046  1
  Ni  Ni284  1  0.499325  0.826437  0.490424  1
  Ni  Ni285  1  0.984754  0.593467  0.566395  1
  Ni  Ni286  1  0.232263  0.530054  0.700780  1
  Ni  Ni287  1  0.497933  0.141113  0.663581  1
  Ni  Ni288  1  0.761474  0.763411  0.625768  1
  Ni  Ni289  1  0.043023  0.453477  0.604935  1
  Ni  Ni290  1  0.532805  0.220321  0.678265  1
  Ni  Ni291  1  0.807916  0.841587  0.642568  1
  Ni  Ni292  1  0.197254  0.451161  0.681544  1
  Ni  Ni293  1  0.460596  0.064442  0.643747  1
  Ni  Ni294  1  0.722569  0.683984  0.609209  1
  Ni  Ni295  1  0.255459  0.656272  0.675852  1
  Ni  Ni296  1  0.484598  0.271224  0.641179  1
  Ni  Ni297  1  0.746867  0.894062  0.606495  1
  Ni  Ni298  1  0.011847  0.244546  0.607868  1
  Ni  Ni299  1  0.548442  1.007744  0.676392  1
  Ni  Ni300  1  0.754392  0.632757  0.648423  1
  Ni  Ni301  1  0.702525  0.493718  0.612390  1
  Ni  Ni302  1  0.194141  0.259803  0.684940  1
  Ni  Ni303  1  0.464818  0.880205  0.646464  1
  Ni  Ni304  1  0.535469  0.408264  0.675206  1
  Ni  Ni305  1  0.793484  1.024555  0.638962  1
  Ni  Ni306  1  0.064547  0.643484  0.601313  1
  Ni  Ni307  1  0.781783  0.543897  0.647677  1
  Ni  Ni308  1  0.037018  0.157974  0.609655  1
  Ni  Ni309  1  0.534033  0.924931  0.683381  1
  Ni  Ni310  1  0.147143  0.521396  0.657474  1
  Ni  Ni311  1  0.405344  0.135829  0.619380  1
  Ni  Ni312  1  0.906619  0.903147  0.694090  1
  Ni  Ni313  1  0.092683  0.382611  0.631040  1
  Ni  Ni314  1  0.357700  0.998659  0.591875  1
  Ni  Ni315  1  0.861976  0.769813  0.668445  1
  Ni  Ni316  1  0.811461  0.353971  0.658464  1
  Ni  Ni317  1  0.071193  0.972907  0.619904  1
  Ni  Ni318  1  0.342635  0.589024  0.586459  1
  Ni  Ni319  1  0.423226  0.547297  0.627864  1
  Ni  Ni320  1  0.895494  0.307495  0.698425  1
  Ni  Ni321  1  0.182774  0.934151  0.666263  1
  Ni  Ni322  1  0.646862  0.254886  0.585895  1
  Ni  Ni323  1  0.136063  1.022479  0.657192  1
  Ni  Ni324  1  0.396158  0.641919  0.625742  1
  Ni  Ni325  1  0.612688  0.645703  0.694156  1
  Ni  Ni326  1  0.851770  0.261283  0.661467  1
  Ni  Ni327  1  0.118000  0.884076  0.626729  1
  Ni  Ni328  1  0.101126  0.603170  0.642099  1
  Ni  Ni329  1  0.358437  0.218313  0.604313  1
  Ni  Ni330  1  0.909836  0.990335  0.686690  1
  Ni  Ni331  1  0.143018  0.300186  0.645914  1
  Ni  Ni332  1  0.390595  0.914693  0.603697  1
  Ni  Ni333  1  0.914307  0.687752  0.682701  1
  Ni  Ni334  1  0.869662  0.504787  0.689398  1
  Ni  Ni335  1  0.129114  0.115791  0.652435  1
  Ni  Ni336  1  0.393769  0.735419  0.616842  1
  Ni  Ni337  1  0.374526  0.401345  0.597261  1
  Ni  Ni338  1  0.863334  0.169974  0.671079  1
  Ni  Ni339  1  0.127896  0.788087  0.634481  1
  Ni  Ni340  1  0.719732  0.402738  0.617093  1
  Ni  Ni341  1  0.209409  0.167937  0.689609  1
  Ni  Ni342  1  0.480428  0.792011  0.652882  1
  Ni  Ni343  1  0.517314  0.497944  0.671031  1
  Ni  Ni344  1  0.780300  0.114858  0.633148  1
  Ni  Ni345  1  0.044519  0.734862  0.596465  1
  Ni  Ni346  1  0.455470  0.358795  0.639624  1
  Ni  Ni347  1  0.723586  0.977669  0.601315  1
  Ni  Ni348  1  0.222717  0.746327  0.675355  1
