# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.62914873
_cell_length_b   15.54748412
_cell_length_c   17.58669574
_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   4747.43213946
_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  0.271579  0.483259  0.122372  1
  Zr  Zr2  1  0.272058  0.483531  0.622487  1
  Zr  Zr3  1  0.271117  0.993078  0.121122  1
  Zr  Zr4  1  0.272388  0.983541  0.622801  1
  Zr  Zr5  1  0.605296  0.484449  0.122430  1
  Zr  Zr6  1  0.605300  0.484629  0.622468  1
  Zr  Zr7  1  0.605507  0.984228  0.122789  1
  Zr  Zr8  1  0.605618  0.984815  0.622591  1
  Zr  Zr9  1  0.939034  0.486057  0.123008  1
  Zr  Zr10  1  0.938461  0.485404  0.622669  1
  Zr  Zr11  1  0.940392  0.986376  0.123336  1
  Zr  Zr12  1  0.938930  0.985434  0.622977  1
  Zr  Zr13  1  0.062377  0.017946  0.376883  1
  Zr  Zr14  1  0.062223  0.017914  0.877579  1
  Zr  Zr15  1  0.061800  0.517679  0.377019  1
  Zr  Zr16  1  0.061567  0.517780  0.876466  1
  Zr  Zr17  1  0.395310  0.015576  0.376584  1
  Zr  Zr18  1  0.395496  0.017617  0.876259  1
  Zr  Zr19  1  0.394543  0.514760  0.375710  1
  Zr  Zr20  1  0.394978  0.517129  0.876344  1
  Zr  Zr21  1  0.728393  0.016614  0.376444  1
  Zr  Zr22  1  0.728891  0.016655  0.876827  1
  Zr  Zr23  1  0.727888  0.516790  0.375905  1
  Zr  Zr24  1  0.728400  0.516623  0.876432  1
  Zr  Zr25  1  0.283058  0.213350  0.290986  1
  Zr  Zr26  1  0.281975  0.214943  0.794025  1
  Zr  Zr27  1  0.283017  0.713751  0.293309  1
  Zr  Zr28  1  0.283208  0.714968  0.792915  1
  Zr  Zr29  1  0.614071  0.214046  0.292881  1
  Zr  Zr30  1  0.616554  0.214413  0.793149  1
  Zr  Zr31  1  0.615791  0.714595  0.292757  1
  Zr  Zr32  1  0.616133  0.714434  0.793232  1
  Zr  Zr33  1  0.948766  0.215190  0.294318  1
  Zr  Zr34  1  0.949316  0.215265  0.793399  1
  Zr  Zr35  1  0.950299  0.715612  0.293007  1
  Zr  Zr36  1  0.949171  0.715444  0.793588  1
  Zr  Zr37  1  0.049430  0.287674  0.206680  1
  Zr  Zr38  1  0.050803  0.287488  0.705939  1
  Zr  Zr39  1  0.052671  0.789022  0.205492  1
  Zr  Zr40  1  0.050675  0.787447  0.706182  1
  Zr  Zr41  1  0.383867  0.285725  0.204547  1
  Zr  Zr42  1  0.384002  0.285845  0.706356  1
  Zr  Zr43  1  0.383218  0.787346  0.204787  1
  Zr  Zr44  1  0.384828  0.786087  0.705512  1
  Zr  Zr45  1  0.717248  0.286574  0.206081  1
  Zr  Zr46  1  0.717934  0.287051  0.705565  1
  Zr  Zr47  1  0.718121  0.786640  0.205729  1
  Zr  Zr48  1  0.717791  0.786907  0.705934  1
  Zr  Zr49  1  0.095776  0.282216  0.017242  1
  Zr  Zr50  1  0.095304  0.282295  0.517491  1
  Zr  Zr51  1  0.095795  0.782738  0.017563  1
  Zr  Zr52  1  0.095645  0.782349  0.517187  1
  Zr  Zr53  1  0.428078  0.281584  0.017112  1
  Zr  Zr54  1  0.428758  0.280759  0.516543  1
  Zr  Zr55  1  0.428707  0.782035  0.017282  1
  Zr  Zr56  1  0.428757  0.780469  0.517037  1
  Zr  Zr57  1  0.762125  0.281578  0.017187  1
  Zr  Zr58  1  0.762299  0.281903  0.517236  1
  Zr  Zr59  1  0.762478  0.781657  0.017318  1
  Zr  Zr60  1  0.762060  0.781634  0.516992  1
  Zr  Zr61  1  0.238124  0.218898  0.481725  1
  Zr  Zr62  1  0.238698  0.220109  0.981389  1
  Zr  Zr63  1  0.238556  0.718830  0.481992  1
  Zr  Zr64  1  0.238503  0.720519  0.982499  1
  Zr  Zr65  1  0.572311  0.219933  0.482387  1
  Zr  Zr66  1  0.571520  0.219595  0.981819  1
  Zr  Zr67  1  0.571463  0.719733  0.481664  1
  Zr  Zr68  1  0.571807  0.719575  0.981910  1
  Zr  Zr69  1  0.904947  0.220322  0.482047  1
  Zr  Zr70  1  0.905258  0.220605  0.982169  1
  Zr  Zr71  1  0.905027  0.720610  0.481943  1
  Zr  Zr72  1  0.905372  0.720970  0.982334  1
  Zr  Zr73  1  0.127896  0.054605  0.151078  1
  Zr  Zr74  1  0.125348  0.050238  0.651758  1
  Zr  Zr75  1  0.125234  0.550823  0.151315  1
  Zr  Zr76  1  0.125132  0.550703  0.651784  1
  Zr  Zr77  1  0.458078  0.049934  0.151000  1
  Zr  Zr78  1  0.458789  0.049477  0.651024  1
  Zr  Zr79  1  0.457949  0.549932  0.151036  1
  Zr  Zr80  1  0.458476  0.549012  0.650964  1
  Zr  Zr81  1  0.792215  0.049968  0.151528  1
  Zr  Zr82  1  0.791913  0.050047  0.651207  1
  Zr  Zr83  1  0.792082  0.550323  0.151158  1
  Zr  Zr84  1  0.791619  0.550329  0.650856  1
  Zr  Zr85  1  0.208492  0.449452  0.346951  1
  Zr  Zr86  1  0.208379  0.452844  0.847277  1
  Zr  Zr87  1  0.208826  0.951304  0.348345  1
  Zr  Zr88  1  0.208930  0.951069  0.846775  1
  Zr  Zr89  1  0.541327  0.450853  0.347376  1
  Zr  Zr90  1  0.542007  0.451170  0.847790  1
  Zr  Zr91  1  0.541853  0.950534  0.347540  1
  Zr  Zr92  1  0.542367  0.951312  0.848136  1
  Zr  Zr93  1  0.875164  0.452206  0.348148  1
  Zr  Zr94  1  0.875352  0.452174  0.848261  1
  Zr  Zr95  1  0.875643  0.951809  0.347761  1
  Zr  Zr96  1  0.875422  0.952109  0.848261  1
  Ni  Ni97  1  0.001999  0.002938  0.000628  1
  Ni  Ni98  1  0.000518  0.001170  0.499860  1
  Ni  Ni99  1  1.000287  0.501475  -0.000272  1
  Ni  Ni100  1  1.000216  0.501867  0.500103  1
  Ni  Ni101  1  0.333503  0.001788  0.999096  1
  Ni  Ni102  1  0.333714  1.000433  0.499534  1
  Ni  Ni103  1  0.333177  0.500676  0.999262  1
  Ni  Ni104  1  0.333330  0.498709  0.498922  1
  Ni  Ni105  1  0.667314  1.000633  -0.000037  1
  Ni  Ni106  1  0.666953  1.000367  0.499378  1
  Ni  Ni107  1  0.666868  0.500407  0.999466  1
  Ni  Ni108  1  0.666554  0.500915  0.499114  1
  Ni  Ni109  1  0.019883  0.376790  0.078152  1
  Ni  Ni110  1  0.019545  0.377092  0.578106  1
  Ni  Ni111  1  0.020872  0.878718  0.078277  1
  Ni  Ni112  1  0.019821  0.876679  0.578028  1
  Ni  Ni113  1  0.352510  0.375795  0.077661  1
  Ni  Ni114  1  0.353171  0.374910  0.577611  1
  Ni  Ni115  1  0.352544  0.878437  0.077616  1
  Ni  Ni116  1  0.353366  0.875642  0.577647  1
  Ni  Ni117  1  0.686484  0.376094  0.077827  1
  Ni  Ni118  1  0.686414  0.376618  0.577577  1
  Ni  Ni119  1  0.686818  0.876108  0.077938  1
  Ni  Ni120  1  0.686437  0.875945  0.577693  1
  Ni  Ni121  1  0.314095  0.125287  0.420925  1
  Ni  Ni122  1  0.314203  0.125455  0.921008  1
  Ni  Ni123  1  0.314005  0.623678  0.421014  1
  Ni  Ni124  1  0.313942  0.625889  0.921216  1
  Ni  Ni125  1  0.647749  0.125010  0.421469  1
  Ni  Ni126  1  0.647730  0.125081  0.921508  1
  Ni  Ni127  1  0.646988  0.625359  0.420862  1
  Ni  Ni128  1  0.647505  0.625097  0.921285  1
  Ni  Ni129  1  0.980780  0.125373  0.421712  1
  Ni  Ni130  1  0.982121  0.126191  0.922308  1
  Ni  Ni131  1  0.980748  0.626098  0.421412  1
  Ni  Ni132  1  0.980818  0.626265  0.921655  1
  Ni  Ni133  1  0.063105  0.455136  0.237358  1
  Ni  Ni134  1  0.062548  0.454634  0.737174  1
  Ni  Ni135  1  0.065146  0.956794  0.236868  1
  Ni  Ni136  1  0.062902  0.954607  0.737552  1
  Ni  Ni137  1  0.396085  0.452689  0.236434  1
  Ni  Ni138  1  0.396379  0.453251  0.737016  1
  Ni  Ni139  1  0.393313  0.954361  0.235495  1
  Ni  Ni140  1  0.397081  0.953371  0.737175  1
  Ni  Ni141  1  0.729554  0.453936  0.236843  1
  Ni  Ni142  1  0.729722  0.454180  0.736905  1
  Ni  Ni143  1  0.729775  0.953718  0.237091  1
  Ni  Ni144  1  0.729836  0.954103  0.737109  1
  Ni  Ni145  1  0.273135  0.045142  0.265121  1
  Ni  Ni146  1  0.271346  0.048307  0.761631  1
  Ni  Ni147  1  0.270610  0.546484  0.261820  1
  Ni  Ni148  1  0.271064  0.547951  0.761691  1
  Ni  Ni149  1  0.604319  0.047630  0.262063  1
  Ni  Ni150  1  0.604499  0.047214  0.762247  1
  Ni  Ni151  1  0.603638  0.547285  0.261686  1
  Ni  Ni152  1  0.604188  0.547266  0.761979  1
  Ni  Ni153  1  0.938455  0.048694  0.262355  1
  Ni  Ni154  1  0.937783  0.048150  0.762503  1
  Ni  Ni155  1  0.937796  0.548074  0.262408  1
  Ni  Ni156  1  0.937107  0.548237  0.762166  1
  Ni  Ni157  1  0.244018  0.306907  0.121409  1
  Ni  Ni158  1  0.244861  0.308119  0.621704  1
  Ni  Ni159  1  0.245556  0.814268  0.121789  1
  Ni  Ni160  1  0.245143  0.807916  0.621655  1
  Ni  Ni161  1  0.578004  0.308975  0.121427  1
  Ni  Ni162  1  0.578363  0.309189  0.621642  1
  Ni  Ni163  1  0.578453  0.808569  0.121707  1
  Ni  Ni164  1  0.578362  0.809097  0.621758  1
  Ni  Ni165  1  0.911118  0.310195  0.121590  1
  Ni  Ni166  1  0.911633  0.309801  0.621967  1
  Ni  Ni167  1  0.912446  0.810643  0.121994  1
  Ni  Ni168  1  0.911538  0.809957  0.621849  1
  Ni  Ni169  1  0.088352  0.192939  0.377425  1
  Ni  Ni170  1  0.089761  0.193052  0.878471  1
  Ni  Ni171  1  0.089256  0.693146  0.377786  1
  Ni  Ni172  1  0.088842  0.693458  0.877572  1
  Ni  Ni173  1  0.422022  0.191201  0.377424  1
  Ni  Ni174  1  0.422133  0.193044  0.876830  1
  Ni  Ni175  1  0.422046  0.690727  0.377302  1
  Ni  Ni176  1  0.422355  0.692588  0.877350  1
  Ni  Ni177  1  0.754874  0.192443  0.376844  1
  Ni  Ni178  1  0.755835  0.192198  0.877600  1
  Ni  Ni179  1  0.755484  0.692448  0.377143  1
  Ni  Ni180  1  0.755606  0.692155  0.877379  1
  Ni  Ni181  1  0.247738  0.143759  0.629572  1
  Ni  Ni182  1  0.247334  0.645795  0.128872  1
  Ni  Ni183  1  0.247637  0.643547  0.629087  1
  Ni  Ni184  1  0.580557  0.144459  0.129162  1
  Ni  Ni185  1  0.581040  0.144962  0.629220  1
  Ni  Ni186  1  0.580738  0.644398  0.129109  1
  Ni  Ni187  1  0.580717  0.644907  0.629101  1
  Ni  Ni188  1  0.914477  0.145778  0.129579  1
  Ni  Ni189  1  0.914147  0.145454  0.629443  1
  Ni  Ni190  1  0.914630  0.646640  0.129463  1
  Ni  Ni191  1  0.913965  0.645755  0.629281  1
  Ni  Ni192  1  0.019307  0.152153  0.078512  1
  Ni  Ni193  1  0.017909  0.151105  0.578334  1
  Ni  Ni194  1  0.018190  0.651294  0.078308  1
  Ni  Ni195  1  0.017953  0.651775  0.578242  1
  Ni  Ni196  1  0.349785  0.151070  0.077983  1
  Ni  Ni197  1  0.351405  0.150418  0.577867  1
  Ni  Ni198  1  0.351104  0.650201  0.077737  1
  Ni  Ni199  1  0.351158  0.649104  0.577588  1
  Ni  Ni200  1  0.684562  0.150608  0.078072  1
  Ni  Ni201  1  0.684820  0.150442  0.578007  1
  Ni  Ni202  1  0.684679  0.650476  0.077911  1
  Ni  Ni203  1  0.684446  0.650835  0.577813  1
  Ni  Ni204  1  0.315630  0.348249  0.420174  1
  Ni  Ni205  1  0.315702  0.351379  0.921158  1
  Ni  Ni206  1  0.315924  0.850196  0.421050  1
  Ni  Ni207  1  0.315921  0.851056  0.921063  1
  Ni  Ni208  1  0.648936  0.350829  0.420817  1
  Ni  Ni209  1  0.649216  0.350461  0.921063  1
  Ni  Ni210  1  0.648984  0.850401  0.420749  1
  Ni  Ni211  1  0.649591  0.850732  0.921310  1
  Ni  Ni212  1  0.982506  0.351919  0.421604  1
  Ni  Ni213  1  0.982664  0.351562  0.921348  1
  Ni  Ni214  1  0.982865  0.851387  0.421120  1
  Ni  Ni215  1  0.982552  0.851695  0.921310  1
  Ni  Ni216  1  0.177054  0.273855  0.326266  1
  Ni  Ni217  1  0.176726  0.275411  0.825676  1
  Ni  Ni218  1  0.177119  0.774042  0.325192  1
  Ni  Ni219  1  0.177018  0.774784  0.825280  1
  Ni  Ni220  1  0.509486  0.274065  0.325156  1
  Ni  Ni221  1  0.510677  0.274574  0.825091  1
  Ni  Ni222  1  0.509408  0.774159  0.324761  1
  Ni  Ni223  1  0.510520  0.774612  0.825449  1
  Ni  Ni224  1  0.843471  0.275377  0.325633  1
  Ni  Ni225  1  0.843607  0.275186  0.825552  1
  Ni  Ni226  1  0.843958  0.774997  0.325380  1
  Ni  Ni227  1  0.843664  0.775298  0.825689  1
  Ni  Ni228  1  0.155234  0.232201  0.177276  1
  Ni  Ni229  1  0.156728  0.227139  0.673925  1
  Ni  Ni230  1  0.157966  0.728407  0.173174  1
  Ni  Ni231  1  0.156810  0.727321  0.674019  1
  Ni  Ni232  1  0.489566  0.226892  0.172871  1
  Ni  Ni233  1  0.490309  0.226375  0.673541  1
  Ni  Ni234  1  0.489719  0.727135  0.173510  1
  Ni  Ni235  1  0.490273  0.725982  0.673519  1
  Ni  Ni236  1  0.823579  0.227027  0.173793  1
  Ni  Ni237  1  0.823628  0.226978  0.673728  1
  Ni  Ni238  1  0.823969  0.727245  0.173574  1
  Ni  Ni239  1  0.823463  0.727142  0.673644  1
  Ni  Ni240  1  0.174337  0.107788  0.326300  1
  Ni  Ni241  1  0.173293  0.107187  0.827658  1
  Ni  Ni242  1  0.173480  0.606351  0.327146  1
  Ni  Ni243  1  0.173222  0.608330  0.826900  1
  Ni  Ni244  1  0.507462  0.105712  0.328599  1
  Ni  Ni245  1  0.507109  0.107114  0.826638  1
  Ni  Ni246  1  0.506131  0.606763  0.326279  1
  Ni  Ni247  1  0.506756  0.606852  0.826622  1
  Ni  Ni248  1  0.839703  0.107292  0.327308  1
  Ni  Ni249  1  0.840546  0.107598  0.827232  1
  Ni  Ni250  1  0.840167  0.607833  0.326450  1
  Ni  Ni251  1  0.839966  0.607686  0.826978  1
  Ni  Ni252  1  0.160244  0.394971  0.172119  1
  Ni  Ni253  1  0.160348  0.394704  0.672409  1
  Ni  Ni254  1  0.161336  0.897557  0.171395  1
  Ni  Ni255  1  0.160640  0.894274  0.672184  1
  Ni  Ni256  1  0.493239  0.394276  0.172088  1
  Ni  Ni257  1  0.493694  0.393338  0.672385  1
  Ni  Ni258  1  0.493460  0.894424  0.172110  1
  Ni  Ni259  1  0.494150  0.893803  0.672296  1
  Ni  Ni260  1  0.827016  0.394591  0.172739  1
  Ni  Ni261  1  0.827114  0.394781  0.672316  1
  Ni  Ni262  1  0.827951  0.894672  0.172453  1
  Ni  Ni263  1  0.827184  0.894594  0.672493  1
  Ni  Ni264  1  0.055822  0.127989  0.232313  1
  Ni  Ni265  1  0.055066  0.127637  0.732884  1
  Ni  Ni266  1  0.055094  0.628215  0.232468  1
  Ni  Ni267  1  0.054091  0.627385  0.732223  1
  Ni  Ni268  1  0.392192  0.127154  0.234545  1
  Ni  Ni269  1  0.388440  0.126270  0.731866  1
  Ni  Ni270  1  0.387231  0.627132  0.231547  1
  Ni  Ni271  1  0.388140  0.626224  0.731945  1
  Ni  Ni272  1  0.721290  0.126764  0.231963  1
  Ni  Ni273  1  0.721605  0.126984  0.732272  1
  Ni  Ni274  1  0.720977  0.626536  0.231925  1
  Ni  Ni275  1  0.721200  0.626904  0.731961  1
  Ni  Ni276  1  0.279400  0.373841  0.266608  1
  Ni  Ni277  1  0.279056  0.374894  0.766887  1
  Ni  Ni278  1  0.278150  0.873811  0.267059  1
  Ni  Ni279  1  0.279862  0.874887  0.766740  1
  Ni  Ni280  1  0.612058  0.374351  0.266560  1
  Ni  Ni281  1  0.612832  0.374464  0.767046  1
  Ni  Ni282  1  0.612600  0.874728  0.266693  1
  Ni  Ni283  1  0.612940  0.874531  0.767196  1
  Ni  Ni284  1  0.946029  0.375366  0.267285  1
  Ni  Ni285  1  0.945670  0.375218  0.767264  1
  Ni  Ni286  1  0.947418  0.876038  0.267114  1
  Ni  Ni287  1  0.945981  0.875497  0.767295  1
  Ni  Ni288  1  0.213973  0.049175  0.481906  1
  Ni  Ni289  1  0.212007  0.047816  0.976527  1
  Ni  Ni290  1  0.213473  0.548236  0.480934  1
  Ni  Ni291  1  0.213509  0.550233  0.981857  1
  Ni  Ni292  1  0.547127  0.049395  0.481682  1
  Ni  Ni293  1  0.547114  0.049497  0.981906  1
  Ni  Ni294  1  0.546706  0.549586  0.481545  1
  Ni  Ni295  1  0.546865  0.549320  0.981482  1
  Ni  Ni296  1  0.880368  0.049929  0.481929  1
  Ni  Ni297  1  0.881284  0.050736  0.982446  1
  Ni  Ni298  1  0.880188  0.550550  0.481882  1
  Ni  Ni299  1  0.880404  0.550554  0.982210  1
  Ni  Ni300  1  0.120123  0.452585  0.017404  1
  Ni  Ni301  1  0.120255  0.452672  0.518217  1
  Ni  Ni302  1  0.119654  0.951052  0.016570  1
  Ni  Ni303  1  0.120512  0.952510  0.517743  1
  Ni  Ni304  1  0.453346  0.452007  0.017445  1
  Ni  Ni305  1  0.453281  0.450506  0.516566  1
  Ni  Ni306  1  0.453502  0.952247  0.017330  1
  Ni  Ni307  1  0.453560  0.950996  0.517086  1
  Ni  Ni308  1  0.786898  0.451680  0.017259  1
  Ni  Ni309  1  0.786568  0.452027  0.516755  1
  Ni  Ni310  1  0.787605  0.952136  0.017743  1
  Ni  Ni311  1  0.786883  0.951776  0.517365  1
  Ni  Ni312  1  0.213556  0.374271  0.477952  1
  Ni  Ni313  1  0.213337  0.375111  0.977539  1
  Ni  Ni314  1  0.213798  0.874508  0.477999  1
  Ni  Ni315  1  0.213780  0.876528  0.978234  1
  Ni  Ni316  1  0.546732  0.375203  0.477566  1
  Ni  Ni317  1  0.546690  0.374927  0.977816  1
  Ni  Ni318  1  0.547129  0.875222  0.478227  1
  Ni  Ni319  1  0.547225  0.875054  0.978071  1
  Ni  Ni320  1  0.880100  0.376018  0.478034  1
  Ni  Ni321  1  0.880511  0.376158  0.978295  1
  Ni  Ni322  1  0.880485  0.875999  0.478096  1
  Ni  Ni323  1  0.881145  0.876857  0.978700  1
  Ni  Ni324  1  0.125094  0.127375  0.023959  1
  Ni  Ni325  1  0.120404  0.126921  0.521751  1
  Ni  Ni326  1  0.119910  0.626877  0.020970  1
  Ni  Ni327  1  0.120410  0.626843  0.521540  1
  Ni  Ni328  1  0.453103  0.126688  0.021227  1
  Ni  Ni329  1  0.453632  0.125502  0.520843  1
  Ni  Ni330  1  0.453428  0.626328  0.021018  1
  Ni  Ni331  1  0.453202  0.624620  0.520682  1
  Ni  Ni332  1  0.787096  0.126172  0.021353  1
  Ni  Ni333  1  0.786910  0.126148  0.520946  1
  Ni  Ni334  1  0.786902  0.625981  0.021014  1
  Ni  Ni335  1  0.786512  0.626205  0.520714  1
  Ni  Ni336  1  0.086264  0.357590  0.370580  1
  Ni  Ni337  1  0.086218  0.357418  0.869905  1
  Ni  Ni338  1  0.086629  0.857546  0.369931  1
  Ni  Ni339  1  0.086472  0.857582  0.869748  1
  Ni  Ni340  1  0.418893  0.354511  0.368445  1
  Ni  Ni341  1  0.419455  0.357049  0.869836  1
  Ni  Ni342  1  0.419633  0.855131  0.369795  1
  Ni  Ni343  1  0.419800  0.857108  0.869886  1
  Ni  Ni344  1  0.752456  0.356462  0.369469  1
  Ni  Ni345  1  0.753070  0.356389  0.869849  1
  Ni  Ni346  1  0.753037  0.856538  0.369695  1
  Ni  Ni347  1  0.753419  0.856338  0.870235  1
