# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63057675
_cell_length_b   15.54748412
_cell_length_c   17.58771462
_cell_angle_alpha   93.70174697
_cell_angle_beta   111.73606814
_cell_angle_gamma   104.67480356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr96Ni251
_chemical_formula_sum   'Zr96 Ni251'
_cell_volume   4748.05257705
_cell_formula_units_Z   1
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  0.272854  0.501367  0.132564  1
  Zr  Zr2  1  0.270809  0.511960  0.627775  1
  Zr  Zr3  1  0.272084  0.999476  0.133613  1
  Zr  Zr4  1  0.270277  0.011215  0.626615  1
  Zr  Zr5  1  0.598181  0.444666  0.113500  1
  Zr  Zr6  1  0.604997  0.462298  0.615947  1
  Zr  Zr7  1  0.598176  0.944831  0.113333  1
  Zr  Zr8  1  0.605104  0.962983  0.615995  1
  Zr  Zr9  1  0.936157  0.469148  0.125037  1
  Zr  Zr10  1  0.938469  0.495211  0.617452  1
  Zr  Zr11  1  0.935438  0.970395  0.123932  1
  Zr  Zr12  1  0.938421  0.995222  0.617228  1
  Zr  Zr13  1  0.064412  0.030601  0.374617  1
  Zr  Zr14  1  0.061973  0.005889  0.881449  1
  Zr  Zr15  1  0.065619  0.529758  0.374815  1
  Zr  Zr16  1  0.062366  0.505807  0.882418  1
  Zr  Zr17  1  0.401679  0.059242  0.384602  1
  Zr  Zr18  1  0.395436  0.039345  0.883100  1
  Zr  Zr19  1  0.402157  0.557526  0.386318  1
  Zr  Zr20  1  0.395540  0.539351  0.883317  1
  Zr  Zr21  1  0.728509  0.001887  0.365803  1
  Zr  Zr22  1  0.729614  0.992312  0.871621  1
  Zr  Zr23  1  0.728332  0.501495  0.365869  1
  Zr  Zr24  1  0.729894  0.492489  0.871851  1
  Zr  Zr25  1  0.274300  0.266436  0.300794  1
  Zr  Zr26  1  0.276923  0.228380  0.800255  1
  Zr  Zr27  1  0.285221  0.760986  0.300357  1
  Zr  Zr28  1  0.277540  0.729076  0.801349  1
  Zr  Zr29  1  0.615731  0.206109  0.281175  1
  Zr  Zr30  1  0.617308  0.198295  0.780126  1
  Zr  Zr31  1  0.616665  0.706419  0.281304  1
  Zr  Zr32  1  0.617196  0.698284  0.779974  1
  Zr  Zr33  1  0.950189  0.235798  0.286706  1
  Zr  Zr34  1  0.949086  0.203701  0.792067  1
  Zr  Zr35  1  0.948887  0.735484  0.288550  1
  Zr  Zr36  1  0.949873  0.703581  0.793000  1
  Zr  Zr37  1  0.064195  0.267932  0.220667  1
  Zr  Zr38  1  0.051216  0.297806  0.706471  1
  Zr  Zr39  1  0.051808  0.765487  0.210568  1
  Zr  Zr40  1  0.050992  0.797865  0.706333  1
  Zr  Zr41  1  0.381151  0.295098  0.221019  1
  Zr  Zr42  1  0.382832  0.304895  0.718636  1
  Zr  Zr43  1  0.384716  0.795648  0.218307  1
  Zr  Zr44  1  0.382897  0.805287  0.718611  1
  Zr  Zr45  1  0.715925  0.241302  0.199938  1
  Zr  Zr46  1  0.723517  0.272989  0.698498  1
  Zr  Zr47  1  0.715769  0.741320  0.199140  1
  Zr  Zr48  1  0.723211  0.772806  0.697905  1
  Zr  Zr49  1  0.098137  0.271845  0.023247  1
  Zr  Zr50  1  0.098754  0.296791  0.518754  1
  Zr  Zr51  1  0.098338  0.771711  0.024949  1
  Zr  Zr52  1  0.098518  0.796776  0.519398  1
  Zr  Zr53  1  0.428532  0.300326  0.021050  1
  Zr  Zr54  1  0.432391  0.316526  0.524779  1
  Zr  Zr55  1  0.428322  0.800456  0.021571  1
  Zr  Zr56  1  0.433179  0.816603  0.525850  1
  Zr  Zr57  1  0.763866  0.251770  0.016199  1
  Zr  Zr58  1  0.764466  0.269191  0.512311  1
  Zr  Zr59  1  0.762498  0.751595  0.015003  1
  Zr  Zr60  1  0.764729  0.769137  0.512332  1
  Zr  Zr61  1  0.236864  0.252376  0.482113  1
  Zr  Zr62  1  0.235605  0.232191  0.986506  1
  Zr  Zr63  1  0.237943  0.751569  0.483588  1
  Zr  Zr64  1  0.236112  0.732446  0.987004  1
  Zr  Zr65  1  0.571796  0.201322  0.477768  1
  Zr  Zr66  1  0.567146  0.186575  0.972951  1
  Zr  Zr67  1  0.572658  0.701848  0.478107  1
  Zr  Zr68  1  0.567038  0.686596  0.972787  1
  Zr  Zr69  1  0.901829  0.229166  0.474658  1
  Zr  Zr70  1  0.902793  0.204657  0.980914  1
  Zr  Zr71  1  0.902253  0.729077  0.474252  1
  Zr  Zr72  1  0.902307  0.704308  0.979987  1
  Zr  Zr73  1  0.126312  0.037306  0.155331  1
  Zr  Zr74  1  0.123766  0.064688  0.650474  1
  Zr  Zr75  1  0.126390  0.537159  0.156510  1
  Zr  Zr76  1  0.123559  0.565310  0.651324  1
  Zr  Zr77  1  0.457297  0.070688  0.156910  1
  Zr  Zr78  1  0.456801  0.078942  0.659055  1
  Zr  Zr79  1  0.457881  0.570554  0.156770  1
  Zr  Zr80  1  0.457017  0.578509  0.659479  1
  Zr  Zr81  1  0.788600  0.012353  0.146145  1
  Zr  Zr82  1  0.793755  0.039438  0.644048  1
  Zr  Zr83  1  0.788729  0.512057  0.146451  1
  Zr  Zr84  1  0.793862  0.539368  0.644133  1
  Zr  Zr85  1  0.211501  0.483740  0.351820  1
  Zr  Zr86  1  0.206858  0.461902  0.855497  1
  Zr  Zr87  1  0.212306  0.989614  0.351961  1
  Zr  Zr88  1  0.206807  0.962117  0.855453  1
  Zr  Zr89  1  0.543496  0.431827  0.342386  1
  Zr  Zr90  1  0.543437  0.424683  0.839496  1
  Zr  Zr91  1  0.543438  0.931934  0.342448  1
  Zr  Zr92  1  0.543196  0.924958  0.839234  1
  Zr  Zr93  1  0.874314  0.463685  0.343870  1
  Zr  Zr94  1  0.876902  0.437193  0.849000  1
  Zr  Zr95  1  0.874056  0.963621  0.343816  1
  Zr  Zr96  1  0.876720  0.936835  0.848381  1
  Ni  Ni97  1  0.999433  0.986819  0.004202  1
  Ni  Ni98  1  0.001050  0.015471  0.495128  1
  Ni  Ni99  1  0.999695  0.485054  0.004790  1
  Ni  Ni100  1  0.001194  0.514785  0.494917  1
  Ni  Ni101  1  0.332855  0.018178  0.009288  1
  Ni  Ni102  1  0.336224  0.038045  0.506675  1
  Ni  Ni103  1  0.333128  0.517219  0.008313  1
  Ni  Ni104  1  0.336396  0.537497  0.507613  1
  Ni  Ni105  1  0.663662  0.965891  0.991752  1
  Ni  Ni106  1  0.667802  0.984561  0.490855  1
  Ni  Ni107  1  0.664050  0.465530  0.992131  1
  Ni  Ni108  1  0.667389  0.483817  0.490813  1
  Ni  Ni109  1  0.021339  0.358034  0.082834  1
  Ni  Ni110  1  0.020291  0.387133  0.575558  1
  Ni  Ni111  1  0.020584  0.860604  0.081414  1
  Ni  Ni112  1  0.020354  0.887470  0.575283  1
  Ni  Ni113  1  0.351547  0.387642  0.085515  1
  Ni  Ni114  1  0.354238  0.404225  0.586252  1
  Ni  Ni115  1  0.351076  0.888230  0.085382  1
  Ni  Ni116  1  0.353544  0.904602  0.585071  1
  Ni  Ni117  1  0.683066  0.341109  0.070192  1
  Ni  Ni118  1  0.687838  0.362318  0.570764  1
  Ni  Ni119  1  0.683002  0.841594  0.069816  1
  Ni  Ni120  1  0.688058  0.862868  0.570744  1
  Ni  Ni121  1  0.316244  0.162375  0.428362  1
  Ni  Ni122  1  0.312584  0.139385  0.928532  1
  Ni  Ni123  1  0.316975  0.659752  0.428623  1
  Ni  Ni124  1  0.312630  0.639131  0.928664  1
  Ni  Ni125  1  0.649306  0.113629  0.413855  1
  Ni  Ni126  1  0.646829  0.098993  0.913517  1
  Ni  Ni127  1  0.649872  0.613466  0.414059  1
  Ni  Ni128  1  0.646746  0.598557  0.913461  1
  Ni  Ni129  1  0.979478  0.141763  0.417301  1
  Ni  Ni130  1  0.980161  0.114131  0.923402  1
  Ni  Ni131  1  0.980002  0.640811  0.417690  1
  Ni  Ni132  1  0.980593  0.613490  0.924155  1
  Ni  Ni133  1  0.061444  0.432370  0.236545  1
  Ni  Ni134  1  0.059085  0.465139  0.734792  1
  Ni  Ni135  1  0.062097  0.933386  0.237279  1
  Ni  Ni136  1  0.059383  0.965263  0.734409  1
  Ni  Ni137  1  0.401509  0.464582  0.243159  1
  Ni  Ni138  1  0.387181  0.466068  0.739611  1
  Ni  Ni139  1  0.399308  0.963016  0.243328  1
  Ni  Ni140  1  0.386581  0.966347  0.738907  1
  Ni  Ni141  1  0.722759  0.407453  0.227831  1
  Ni  Ni142  1  0.734070  0.440885  0.730515  1
  Ni  Ni143  1  0.722789  0.907665  0.227698  1
  Ni  Ni144  1  0.733979  0.940906  0.730394  1
  Ni  Ni145  1  0.277603  0.100859  0.271465  1
  Ni  Ni146  1  0.266825  0.060271  0.769082  1
  Ni  Ni147  1  0.276867  0.594067  0.271446  1
  Ni  Ni148  1  0.266729  0.560824  0.769405  1
  Ni  Ni149  1  0.601993  0.039098  0.255810  1
  Ni  Ni150  1  0.613109  0.037406  0.759379  1
  Ni  Ni151  1  0.601218  0.538509  0.255593  1
  Ni  Ni152  1  0.613309  0.537205  0.759472  1
  Ni  Ni153  1  0.938188  0.067432  0.261984  1
  Ni  Ni154  1  0.941358  0.036275  0.764477  1
  Ni  Ni155  1  0.938822  0.567395  0.262143  1
  Ni  Ni156  1  0.941477  0.536049  0.764928  1
  Ni  Ni157  1  0.246418  0.325406  0.132501  1
  Ni  Ni158  1  0.247777  0.336329  0.628448  1
  Ni  Ni159  1  0.246128  0.823801  0.133988  1
  Ni  Ni160  1  0.247612  0.835790  0.628789  1
  Ni  Ni161  1  0.578449  0.270226  0.118011  1
  Ni  Ni162  1  0.581077  0.283828  0.616574  1
  Ni  Ni163  1  0.579022  0.770548  0.117542  1
  Ni  Ni164  1  0.581093  0.784404  0.616401  1
  Ni  Ni165  1  0.916022  0.295620  0.129802  1
  Ni  Ni166  1  0.913384  0.318291  0.618734  1
  Ni  Ni167  1  0.912318  0.796017  0.126920  1
  Ni  Ni168  1  0.913382  0.818158  0.618339  1
  Ni  Ni169  1  0.088527  0.203567  0.372595  1
  Ni  Ni170  1  0.086673  0.182842  0.879632  1
  Ni  Ni171  1  0.088435  0.704485  0.372406  1
  Ni  Ni172  1  0.087436  0.682841  0.881055  1
  Ni  Ni173  1  0.417111  0.233315  0.378581  1
  Ni  Ni174  1  0.419246  0.218005  0.882443  1
  Ni  Ni175  1  0.421829  0.731793  0.381942  1
  Ni  Ni176  1  0.419625  0.718083  0.883061  1
  Ni  Ni177  1  0.754110  0.177125  0.365095  1
  Ni  Ni178  1  0.753531  0.167816  0.870934  1
  Ni  Ni179  1  0.754576  0.677136  0.365183  1
  Ni  Ni180  1  0.752864  0.667660  0.869892  1
  Ni  Ni181  1  0.246588  0.161065  0.133971  1
  Ni  Ni182  1  0.244213  0.173265  0.630578  1
  Ni  Ni183  1  0.246415  0.661265  0.135427  1
  Ni  Ni184  1  0.244567  0.672747  0.631983  1
  Ni  Ni185  1  0.575218  0.104413  0.116747  1
  Ni  Ni186  1  0.579490  0.119157  0.619740  1
  Ni  Ni187  1  0.575160  0.604608  0.116685  1
  Ni  Ni188  1  0.579541  0.619093  0.619460  1
  Ni  Ni189  1  0.912848  0.133659  0.128192  1
  Ni  Ni190  1  0.912587  0.156386  0.622895  1
  Ni  Ni191  1  0.911355  0.632056  0.127210  1
  Ni  Ni192  1  0.912838  0.656385  0.623163  1
  Ni  Ni193  1  0.015673  0.137039  0.078861  1
  Ni  Ni194  1  0.017439  0.163825  0.575672  1
  Ni  Ni195  1  0.016176  0.634647  0.078741  1
  Ni  Ni196  1  0.017557  0.663484  0.575866  1
  Ni  Ni197  1  0.349791  0.167363  0.085178  1
  Ni  Ni198  1  0.351392  0.183011  0.585727  1
  Ni  Ni199  1  0.349728  0.665895  0.084816  1
  Ni  Ni200  1  0.351948  0.682146  0.586611  1
  Ni  Ni201  1  0.679810  0.113049  0.067731  1
  Ni  Ni202  1  0.685158  0.133636  0.570822  1
  Ni  Ni203  1  0.679183  0.612280  0.067478  1
  Ni  Ni204  1  0.685348  0.633136  0.570668  1
  Ni  Ni205  1  0.321925  0.392838  0.432331  1
  Ni  Ni206  1  0.315332  0.367896  0.928264  1
  Ni  Ni207  1  0.321393  0.891647  0.431226  1
  Ni  Ni208  1  0.315369  0.868772  0.928688  1
  Ni  Ni209  1  0.650009  0.335311  0.414365  1
  Ni  Ni210  1  0.648341  0.320568  0.912438  1
  Ni  Ni211  1  0.650971  0.836012  0.414538  1
  Ni  Ni212  1  0.648033  0.820966  0.911942  1
  Ni  Ni213  1  0.985265  0.364868  0.420602  1
  Ni  Ni214  1  0.983431  0.337552  0.923778  1
  Ni  Ni215  1  0.984592  0.866163  0.420609  1
  Ni  Ni216  1  0.983050  0.837897  0.923417  1
  Ni  Ni217  1  0.174028  0.282001  0.829620  1
  Ni  Ni218  1  0.182969  0.814456  0.329575  1
  Ni  Ni219  1  0.173917  0.782083  0.830018  1
  Ni  Ni220  1  0.513236  0.252289  0.324886  1
  Ni  Ni221  1  0.510737  0.245524  0.821617  1
  Ni  Ni222  1  0.514441  0.752728  0.324354  1
  Ni  Ni223  1  0.510727  0.745696  0.821702  1
  Ni  Ni224  1  0.847461  0.288372  0.320120  1
  Ni  Ni225  1  0.845044  0.259508  0.824914  1
  Ni  Ni226  1  0.846715  0.788511  0.319656  1
  Ni  Ni227  1  0.844620  0.759279  0.823684  1
  Ni  Ni228  1  0.153271  0.210828  0.169456  1
  Ni  Ni229  1  0.156064  0.243198  0.674654  1
  Ni  Ni230  1  0.154168  0.712070  0.180035  1
  Ni  Ni231  1  0.156176  0.743216  0.675740  1
  Ni  Ni232  1  0.485226  0.249657  0.175577  1
  Ni  Ni233  1  0.489106  0.258214  0.676500  1
  Ni  Ni234  1  0.486232  0.749393  0.174855  1
  Ni  Ni235  1  0.489291  0.757940  0.676910  1
  Ni  Ni236  1  0.817874  0.187071  0.169863  1
  Ni  Ni237  1  0.826508  0.219529  0.669343  1
  Ni  Ni238  1  0.817562  0.686968  0.169407  1
  Ni  Ni239  1  0.826838  0.719346  0.669397  1
  Ni  Ni240  1  0.176826  0.140358  0.324525  1
  Ni  Ni241  1  0.170650  0.112913  0.831006  1
  Ni  Ni242  1  0.179010  0.643795  0.324916  1
  Ni  Ni243  1  0.170652  0.613009  0.831128  1
  Ni  Ni244  1  0.512655  0.089652  0.324542  1
  Ni  Ni245  1  0.509394  0.079765  0.820562  1
  Ni  Ni246  1  0.513522  0.590606  0.325586  1
  Ni  Ni247  1  0.509565  0.579769  0.820807  1
  Ni  Ni248  1  0.841555  0.120001  0.313963  1
  Ni  Ni249  1  0.841109  0.091650  0.824757  1
  Ni  Ni250  1  0.841262  0.619250  0.313805  1
  Ni  Ni251  1  0.841097  0.591503  0.823991  1
  Ni  Ni252  1  0.160176  0.384212  0.179779  1
  Ni  Ni253  1  0.159694  0.410813  0.674907  1
  Ni  Ni254  1  0.159119  0.881213  0.184913  1
  Ni  Ni255  1  0.159717  0.910651  0.675237  1
  Ni  Ni256  1  0.487359  0.410983  0.174455  1
  Ni  Ni257  1  0.491174  0.423565  0.678086  1
  Ni  Ni258  1  0.487838  0.912730  0.174438  1
  Ni  Ni259  1  0.490828  0.924078  0.677878  1
  Ni  Ni260  1  0.822505  0.356248  0.175058  1
  Ni  Ni261  1  0.829968  0.388539  0.668222  1
  Ni  Ni262  1  0.821703  0.856830  0.174732  1
  Ni  Ni263  1  0.830038  0.888438  0.668132  1
  Ni  Ni264  1  0.048436  0.103881  0.229373  1
  Ni  Ni265  1  0.052326  0.136042  0.731106  1
  Ni  Ni266  1  0.050283  0.606885  0.231058  1
  Ni  Ni267  1  0.052003  0.636228  0.731775  1
  Ni  Ni268  1  0.391939  0.136687  0.241893  1
  Ni  Ni269  1  0.385221  0.138918  0.741816  1
  Ni  Ni270  1  0.392343  0.635760  0.243362  1
  Ni  Ni271  1  0.385612  0.639042  0.742469  1
  Ni  Ni272  1  0.711994  0.082106  0.220830  1
  Ni  Ni273  1  0.724235  0.112269  0.724614  1
  Ni  Ni274  1  0.711438  0.581904  0.220910  1
  Ni  Ni275  1  0.723973  0.612004  0.724148  1
  Ni  Ni276  1  0.291354  0.426274  0.274720  1
  Ni  Ni277  1  0.276632  0.389701  0.774742  1
  Ni  Ni278  1  0.289143  0.919762  0.277843  1
  Ni  Ni279  1  0.276682  0.889699  0.774993  1
  Ni  Ni280  1  0.607801  0.365252  0.256684  1
  Ni  Ni281  1  0.615042  0.364051  0.757021  1
  Ni  Ni282  1  0.607807  0.865436  0.256483  1
  Ni  Ni283  1  0.614735  0.864313  0.756660  1
  Ni  Ni284  1  0.951210  0.394114  0.269391  1
  Ni  Ni285  1  0.948196  0.365393  0.767893  1
  Ni  Ni286  1  0.950294  0.894639  0.268067  1
  Ni  Ni287  1  0.948365  0.865108  0.767487  1
  Ni  Ni288  1  0.215454  0.081157  0.487203  1
  Ni  Ni289  1  0.213037  0.060704  0.990250  1
  Ni  Ni290  1  0.215772  0.579955  0.487466  1
  Ni  Ni291  1  0.212824  0.560707  0.990046  1
  Ni  Ni292  1  0.548023  0.028901  0.471411  1
  Ni  Ni293  1  0.543179  0.013630  0.968884  1
  Ni  Ni294  1  0.547945  0.528743  0.471427  1
  Ni  Ni295  1  0.543128  0.513266  0.968876  1
  Ni  Ni296  1  0.880603  0.058773  0.479059  1
  Ni  Ni297  1  0.879630  0.033271  0.982250  1
  Ni  Ni298  1  0.880778  0.558455  0.479163  1
  Ni  Ni299  1  0.879899  0.532329  0.982925  1
  Ni  Ni300  1  0.120504  0.442139  0.021442  1
  Ni  Ni301  1  0.121128  0.469053  0.518112  1
  Ni  Ni302  1  0.119769  0.942411  0.019712  1
  Ni  Ni303  1  0.121105  0.969025  0.516604  1
  Ni  Ni304  1  0.452593  0.472835  0.027750  1
  Ni  Ni305  1  0.457295  0.489493  0.530387  1
  Ni  Ni306  1  0.452380  0.973359  0.027720  1
  Ni  Ni307  1  0.456981  0.990334  0.529626  1
  Ni  Ni308  1  0.784412  0.422247  0.009990  1
  Ni  Ni309  1  0.787605  0.440615  0.509023  1
  Ni  Ni310  1  0.783979  0.922363  0.009430  1
  Ni  Ni311  1  0.787697  0.940861  0.509000  1
  Ni  Ni312  1  0.217827  0.410562  0.485608  1
  Ni  Ni313  1  0.215766  0.388488  0.987461  1
  Ni  Ni314  1  0.216662  0.908715  0.480936  1
  Ni  Ni315  1  0.215501  0.888160  0.987376  1
  Ni  Ni316  1  0.545793  0.355754  0.469795  1
  Ni  Ni317  1  0.543443  0.342142  0.966424  1
  Ni  Ni318  1  0.547133  0.856519  0.470457  1
  Ni  Ni319  1  0.543342  0.842404  0.966323  1
  Ni  Ni320  1  0.882481  0.386226  0.473530  1
  Ni  Ni321  1  0.882171  0.359295  0.980155  1
  Ni  Ni322  1  0.882307  0.886299  0.473515  1
  Ni  Ni323  1  0.881713  0.860118  0.979641  1
  Ni  Ni324  1  0.117730  0.114180  0.024200  1
  Ni  Ni325  1  0.118415  0.141514  0.518767  1
  Ni  Ni326  1  0.118549  0.614387  0.026417  1
  Ni  Ni327  1  0.118714  0.641065  0.519001  1
  Ni  Ni328  1  0.453459  0.145649  0.028703  1
  Ni  Ni329  1  0.456575  0.161269  0.532037  1
  Ni  Ni330  1  0.453512  0.645532  0.028750  1
  Ni  Ni331  1  0.457229  0.660908  0.532695  1
  Ni  Ni332  1  0.784523  0.094238  0.018244  1
  Ni  Ni333  1  0.784821  0.113221  0.511869  1
  Ni  Ni334  1  0.783880  0.594361  0.017837  1
  Ni  Ni335  1  0.785084  0.612919  0.511863  1
  Ni  Ni336  1  0.090901  0.368323  0.373930  1
  Ni  Ni337  1  0.087950  0.344998  0.876047  1
  Ni  Ni338  1  0.089422  0.868469  0.372105  1
  Ni  Ni339  1  0.087800  0.844729  0.875974  1
  Ni  Ni340  1  0.424364  0.398255  0.381451  1
  Ni  Ni341  1  0.420967  0.382746  0.879528  1
  Ni  Ni342  1  0.425604  0.898348  0.382376  1
  Ni  Ni343  1  0.420998  0.882854  0.879703  1
  Ni  Ni344  1  0.754237  0.340153  0.364309  1
  Ni  Ni345  1  0.755167  0.331104  0.866197  1
  Ni  Ni346  1  0.754500  0.840476  0.364205  1
  Ni  Ni347  1  0.755168  0.830903  0.865939  1
