# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63345837
_cell_length_b   15.54156000
_cell_length_c   17.59240593
_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   4748.2063087
_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  0.272155  0.484445  0.122631  1
  Zr  Zr2  1  0.271858  0.484844  0.622288  1
  Zr  Zr3  1  0.272131  0.984721  0.122478  1
  Zr  Zr4  1  0.271695  0.984818  0.622174  1
  Zr  Zr5  1  0.605613  0.485591  0.122569  1
  Zr  Zr6  1  0.605308  0.484623  0.622668  1
  Zr  Zr7  1  0.605419  0.985167  0.122673  1
  Zr  Zr8  1  0.605675  0.984784  0.622904  1
  Zr  Zr9  1  0.938627  0.484895  0.122495  1
  Zr  Zr10  1  0.938768  0.485154  0.622552  1
  Zr  Zr11  1  0.938289  0.985289  0.121821  1
  Zr  Zr12  1  0.938797  0.984831  0.623301  1
  Zr  Zr13  1  0.061558  0.017325  0.375499  1
  Zr  Zr14  1  0.062066  0.016867  0.876979  1
  Zr  Zr15  1  0.061587  0.517002  0.376249  1
  Zr  Zr16  1  0.061727  0.517261  0.876306  1
  Zr  Zr17  1  0.394680  0.017372  0.375897  1
  Zr  Zr18  1  0.394936  0.016989  0.876127  1
  Zr  Zr19  1  0.395046  0.517533  0.376132  1
  Zr  Zr20  1  0.394742  0.516565  0.876231  1
  Zr  Zr21  1  0.728660  0.017338  0.376627  1
  Zr  Zr22  1  0.728223  0.017435  0.876323  1
  Zr  Zr23  1  0.728496  0.517312  0.376513  1
  Zr  Zr24  1  0.728199  0.517711  0.876170  1
  Zr  Zr25  1  0.282640  0.215126  0.292028  1
  Zr  Zr26  1  0.282243  0.214491  0.793004  1
  Zr  Zr27  1  0.282360  0.715182  0.292919  1
  Zr  Zr28  1  0.282811  0.714681  0.793121  1
  Zr  Zr29  1  0.616293  0.214928  0.293412  1
  Zr  Zr30  1  0.616003  0.215306  0.793001  1
  Zr  Zr31  1  0.616448  0.715191  0.293199  1
  Zr  Zr32  1  0.614649  0.714739  0.792747  1
  Zr  Zr33  1  0.949793  0.214959  0.292383  1
  Zr  Zr34  1  0.949985  0.214226  0.794677  1
  Zr  Zr35  1  0.949871  0.714903  0.293261  1
  Zr  Zr36  1  0.949266  0.715578  0.794282  1
  Zr  Zr37  1  0.051089  0.286579  0.204518  1
  Zr  Zr38  1  0.050483  0.287253  0.705540  1
  Zr  Zr39  1  0.050369  0.787931  0.204123  1
  Zr  Zr40  1  0.050562  0.787197  0.706418  1
  Zr  Zr41  1  0.385706  0.287417  0.206054  1
  Zr  Zr42  1  0.383907  0.286965  0.705601  1
  Zr  Zr43  1  0.384352  0.786850  0.205800  1
  Zr  Zr44  1  0.384061  0.787228  0.705389  1
  Zr  Zr45  1  0.717544  0.287476  0.205680  1
  Zr  Zr46  1  0.717994  0.286974  0.705881  1
  Zr  Zr47  1  0.718112  0.787665  0.205797  1
  Zr  Zr48  1  0.717714  0.787030  0.706772  1
  Zr  Zr49  1  0.095040  0.281393  0.016881  1
  Zr  Zr50  1  0.095324  0.281842  0.516905  1
  Zr  Zr51  1  0.094866  0.782114  0.016840  1
  Zr  Zr52  1  0.095440  0.782181  0.516877  1
  Zr  Zr53  1  0.428749  0.281726  0.016994  1
  Zr  Zr54  1  0.428770  0.282079  0.516979  1
  Zr  Zr55  1  0.428810  0.781807  0.017021  1
  Zr  Zr56  1  0.428564  0.782139  0.516800  1
  Zr  Zr57  1  0.761930  0.282472  0.017056  1
  Zr  Zr58  1  0.762197  0.281926  0.517299  1
  Zr  Zr59  1  0.762136  0.782256  0.016971  1
  Zr  Zr60  1  0.762331  0.782188  0.517397  1
  Zr  Zr61  1  0.238024  0.219968  0.481403  1
  Zr  Zr62  1  0.238219  0.219900  0.981830  1
  Zr  Zr63  1  0.238157  0.720230  0.481501  1
  Zr  Zr64  1  0.238424  0.719685  0.981744  1
  Zr  Zr65  1  0.571790  0.220018  0.482000  1
  Zr  Zr66  1  0.571545  0.220349  0.981779  1
  Zr  Zr67  1  0.571585  0.720077  0.481821  1
  Zr  Zr68  1  0.571605  0.720430  0.981807  1
  Zr  Zr69  1  0.904914  0.219975  0.481924  1
  Zr  Zr70  1  0.905488  0.220042  0.981960  1
  Zr  Zr71  1  0.905031  0.720314  0.481896  1
  Zr  Zr72  1  0.905315  0.720763  0.981920  1
  Zr  Zr73  1  0.124368  0.050354  0.149353  1
  Zr  Zr74  1  0.124943  0.050237  0.651121  1
  Zr  Zr75  1  0.125058  0.550283  0.151086  1
  Zr  Zr76  1  0.125072  0.550400  0.651013  1
  Zr  Zr77  1  0.458544  0.050093  0.151131  1
  Zr  Zr78  1  0.458289  0.050386  0.650647  1
  Zr  Zr79  1  0.458573  0.550289  0.151034  1
  Zr  Zr80  1  0.458141  0.550138  0.650723  1
  Zr  Zr81  1  0.791792  0.050648  0.150811  1
  Zr  Zr82  1  0.792298  0.050110  0.652163  1
  Zr  Zr83  1  0.791838  0.550827  0.151081  1
  Zr  Zr84  1  0.791878  0.550438  0.651421  1
  Zr  Zr85  1  0.208476  0.451718  0.347379  1
  Zr  Zr86  1  0.208517  0.451329  0.847720  1
  Zr  Zr87  1  0.208056  0.952047  0.346638  1
  Zr  Zr88  1  0.208562  0.951508  0.847989  1
  Zr  Zr89  1  0.542214  0.452018  0.348077  1
  Zr  Zr90  1  0.541781  0.451867  0.847767  1
  Zr  Zr91  1  0.542066  0.951770  0.348153  1
  Zr  Zr92  1  0.541810  0.952063  0.847670  1
  Zr  Zr93  1  0.875282  0.451757  0.347787  1
  Zr  Zr94  1  0.875297  0.451873  0.847715  1
  Zr  Zr95  1  0.875411  0.951919  0.347680  1
  Zr  Zr96  1  0.875986  0.951802  0.849447  1
  Ni  Ni97  1  0.000177  0.001078  0.499400  1
  Ni  Ni98  1  0.000177  0.501078  -0.000600  1
  Ni  Ni99  1  0.000177  0.501078  0.499400  1
  Ni  Ni100  1  0.333523  1.000798  -0.000578  1
  Ni  Ni101  1  0.333242  0.001306  0.498855  1
  Ni  Ni102  1  0.333476  0.500582  -0.000505  1
  Ni  Ni103  1  0.333352  0.500937  0.499016  1
  Ni  Ni104  1  0.666832  0.001359  0.999378  1
  Ni  Ni105  1  0.667112  1.000850  0.499945  1
  Ni  Ni106  1  0.666879  0.501574  0.999305  1
  Ni  Ni107  1  0.667003  0.501219  0.499784  1
  Ni  Ni108  1  0.019677  0.376885  0.077624  1
  Ni  Ni109  1  0.019676  0.376565  0.577523  1
  Ni  Ni110  1  0.019206  0.879795  0.076409  1
  Ni  Ni111  1  0.019784  0.876513  0.577896  1
  Ni  Ni112  1  0.353156  0.376234  0.077726  1
  Ni  Ni113  1  0.352809  0.376372  0.577381  1
  Ni  Ni114  1  0.353103  0.876245  0.077682  1
  Ni  Ni115  1  0.352766  0.876729  0.577278  1
  Ni  Ni116  1  0.686340  0.377039  0.077669  1
  Ni  Ni117  1  0.686562  0.376570  0.577948  1
  Ni  Ni118  1  0.686371  0.876775  0.077701  1
  Ni  Ni119  1  0.686675  0.876277  0.578224  1
  Ni  Ni120  1  0.313679  0.125879  0.420576  1
  Ni  Ni121  1  0.313983  0.125382  0.921100  1
  Ni  Ni122  1  0.313792  0.625587  0.420853  1
  Ni  Ni123  1  0.314014  0.625117  0.921132  1
  Ni  Ni124  1  0.647589  0.125428  0.421523  1
  Ni  Ni125  1  0.647252  0.125911  0.921118  1
  Ni  Ni126  1  0.647546  0.625784  0.421419  1
  Ni  Ni127  1  0.647199  0.625922  0.921075  1
  Ni  Ni128  1  0.980571  0.125643  0.420905  1
  Ni  Ni129  1  0.981149  0.122361  0.922392  1
  Ni  Ni130  1  0.980678  0.625591  0.421278  1
  Ni  Ni131  1  0.980677  0.625271  0.921176  1
  Ni  Ni132  1  0.062706  0.453868  0.236839  1
  Ni  Ni133  1  0.062987  0.454420  0.736905  1
  Ni  Ni134  1  0.062539  0.955046  0.235954  1
  Ni  Ni135  1  0.062896  0.954543  0.737514  1
  Ni  Ni136  1  0.396507  0.454153  0.237010  1
  Ni  Ni137  1  0.396022  0.454186  0.736688  1
  Ni  Ni138  1  0.396417  0.953972  0.236967  1
  Ni  Ni139  1  0.396061  0.954418  0.736597  1
  Ni  Ni140  1  0.729602  0.454640  0.237007  1
  Ni  Ni141  1  0.729612  0.454096  0.737073  1
  Ni  Ni142  1  0.729666  0.954734  0.237014  1
  Ni  Ni143  1  0.730451  0.954078  0.737722  1
  Ni  Ni144  1  0.269903  0.048078  0.261078  1
  Ni  Ni145  1  0.270689  0.047422  0.761787  1
  Ni  Ni146  1  0.270743  0.548060  0.261727  1
  Ni  Ni147  1  0.270752  0.547516  0.761794  1
  Ni  Ni148  1  0.604294  0.047738  0.262204  1
  Ni  Ni149  1  0.603938  0.048185  0.761833  1
  Ni  Ni150  1  0.604333  0.547970  0.262113  1
  Ni  Ni151  1  0.603847  0.548003  0.761791  1
  Ni  Ni152  1  0.937459  0.047613  0.261287  1
  Ni  Ni153  1  0.937816  0.047110  0.762846  1
  Ni  Ni154  1  0.937367  0.547737  0.261895  1
  Ni  Ni155  1  0.937648  0.548288  0.761962  1
  Ni  Ni156  1  0.245083  0.308672  0.121762  1
  Ni  Ni157  1  0.244662  0.309213  0.621329  1
  Ni  Ni158  1  0.244595  0.808997  0.121182  1
  Ni  Ni159  1  0.244767  0.809328  0.621408  1
  Ni  Ni160  1  0.578336  0.309871  0.121645  1
  Ni  Ni161  1  0.578379  0.309193  0.621830  1
  Ni  Ni162  1  0.578420  0.809706  0.121832  1
  Ni  Ni163  1  0.578198  0.809102  0.621643  1
  Ni  Ni164  1  0.911527  0.309294  0.121556  1
  Ni  Ni165  1  0.911538  0.309573  0.621592  1
  Ni  Ni166  1  0.911753  0.810380  0.121125  1
  Ni  Ni167  1  0.911535  0.809515  0.621917  1
  Ni  Ni168  1  0.088820  0.192642  0.376883  1
  Ni  Ni169  1  0.088602  0.191776  0.877675  1
  Ni  Ni170  1  0.088817  0.692584  0.377209  1
  Ni  Ni171  1  0.088827  0.692862  0.877244  1
  Ni  Ni172  1  0.422156  0.193054  0.377157  1
  Ni  Ni173  1  0.421935  0.192450  0.876969  1
  Ni  Ni174  1  0.421975  0.692963  0.376971  1
  Ni  Ni175  1  0.422018  0.692286  0.877155  1
  Ni  Ni176  1  0.755588  0.192828  0.377393  1
  Ni  Ni177  1  0.755760  0.193159  0.877619  1
  Ni  Ni178  1  0.755693  0.692944  0.377472  1
  Ni  Ni179  1  0.755271  0.693485  0.877038  1
  Ni  Ni180  1  0.247616  0.144622  0.129104  1
  Ni  Ni181  1  0.247162  0.144987  0.628816  1
  Ni  Ni182  1  0.247521  0.644685  0.129135  1
  Ni  Ni183  1  0.247317  0.645078  0.628919  1
  Ni  Ni184  1  0.580794  0.145478  0.129155  1
  Ni  Ni185  1  0.580804  0.144983  0.629147  1
  Ni  Ni186  1  0.580936  0.645696  0.129168  1
  Ni  Ni187  1  0.580647  0.644877  0.629118  1
  Ni  Ni188  1  0.914223  0.144902  0.128712  1
  Ni  Ni189  1  0.914237  0.145183  0.629543  1
  Ni  Ni190  1  0.914028  0.645456  0.128898  1
  Ni  Ni191  1  0.914192  0.645368  0.629523  1
  Ni  Ni192  1  0.017517  0.148744  0.076980  1
  Ni  Ni193  1  0.017823  0.150946  0.577978  1
  Ni  Ni194  1  0.017759  0.650581  0.077677  1
  Ni  Ni195  1  0.017927  0.651389  0.578054  1
  Ni  Ni196  1  0.351338  0.150917  0.077893  1
  Ni  Ni197  1  0.350983  0.151153  0.577520  1
  Ni  Ni198  1  0.351287  0.650787  0.077843  1
  Ni  Ni199  1  0.350929  0.650963  0.577509  1
  Ni  Ni200  1  0.684543  0.151333  0.077844  1
  Ni  Ni201  1  0.684828  0.150856  0.578314  1
  Ni  Ni202  1  0.684715  0.651557  0.077897  1
  Ni  Ni203  1  0.684631  0.651392  0.578173  1
  Ni  Ni204  1  0.315723  0.350764  0.420628  1
  Ni  Ni205  1  0.315640  0.350599  0.920904  1
  Ni  Ni206  1  0.315527  0.851300  0.420486  1
  Ni  Ni207  1  0.315812  0.850823  0.920957  1
  Ni  Ni208  1  0.649426  0.351193  0.421292  1
  Ni  Ni209  1  0.649068  0.351369  0.920957  1
  Ni  Ni210  1  0.649372  0.851004  0.421280  1
  Ni  Ni211  1  0.649017  0.851239  0.920908  1
  Ni  Ni212  1  0.982428  0.350767  0.420747  1
  Ni  Ni213  1  0.982595  0.351575  0.921123  1
  Ni  Ni214  1  0.982531  0.851210  0.420823  1
  Ni  Ni215  1  0.982837  0.853412  0.921821  1
  Ni  Ni216  1  0.176730  0.274899  0.324666  1
  Ni  Ni217  1  0.176391  0.274379  0.825343  1
  Ni  Ni218  1  0.176269  0.775158  0.324694  1
  Ni  Ni219  1  0.176927  0.774782  0.825226  1
  Ni  Ni220  1  0.510654  0.274984  0.325634  1
  Ni  Ni221  1  0.510063  0.275057  0.825114  1
  Ni  Ni222  1  0.510447  0.775056  0.325347  1
  Ni  Ni223  1  0.509826  0.775177  0.825186  1
  Ni  Ni224  1  0.843558  0.274889  0.325063  1
  Ni  Ni225  1  0.843761  0.274767  0.825470  1
  Ni  Ni226  1  0.843703  0.774886  0.325157  1
  Ni  Ni227  1  0.843916  0.775813  0.825846  1
  Ni  Ni228  1  0.156438  0.226344  0.172954  1
  Ni  Ni229  1  0.156652  0.227270  0.673644  1
  Ni  Ni230  1  0.156594  0.727389  0.173330  1
  Ni  Ni231  1  0.156797  0.727267  0.673737  1
  Ni  Ni232  1  0.490529  0.226979  0.173615  1
  Ni  Ni233  1  0.489908  0.227101  0.673454  1
  Ni  Ni234  1  0.490292  0.727099  0.173687  1
  Ni  Ni235  1  0.489700  0.727172  0.673166  1
  Ni  Ni236  1  0.823427  0.227375  0.173575  1
  Ni  Ni237  1  0.824086  0.226998  0.674107  1
  Ni  Ni238  1  0.823964  0.727778  0.173457  1
  Ni  Ni239  1  0.823624  0.727257  0.674135  1
  Ni  Ni240  1  0.173144  0.107774  0.325072  1
  Ni  Ni241  1  0.173068  0.107038  0.827296  1
  Ni  Ni242  1  0.173026  0.607480  0.326391  1
  Ni  Ni243  1  0.173344  0.607318  0.826649  1
  Ni  Ni244  1  0.506726  0.107442  0.326784  1
  Ni  Ni245  1  0.506491  0.107735  0.826372  1
  Ni  Ni246  1  0.506819  0.607722  0.326575  1
  Ni  Ni247  1  0.506222  0.607311  0.826883  1
  Ni  Ni248  1  0.840081  0.107817  0.326381  1
  Ni  Ni249  1  0.840468  0.106892  0.827679  1
  Ni  Ni250  1  0.840078  0.607655  0.326695  1
  Ni  Ni251  1  0.839758  0.607745  0.826910  1
  Ni  Ni252  1  0.160596  0.394411  0.171891  1
  Ni  Ni253  1  0.160277  0.394501  0.672105  1
  Ni  Ni254  1  0.159886  0.895264  0.171122  1
  Ni  Ni255  1  0.160273  0.894339  0.672420  1
  Ni  Ni256  1  0.494133  0.394846  0.171918  1
  Ni  Ni257  1  0.493536  0.394434  0.672226  1
  Ni  Ni258  1  0.493864  0.894421  0.172428  1
  Ni  Ni259  1  0.493628  0.894714  0.672016  1
  Ni  Ni260  1  0.827010  0.394838  0.172152  1
  Ni  Ni261  1  0.827328  0.394676  0.672409  1
  Ni  Ni262  1  0.827286  0.895118  0.171505  1
  Ni  Ni263  1  0.827211  0.894382  0.673728  1
  Ni  Ni264  1  0.054262  0.126854  0.231263  1
  Ni  Ni265  1  0.054642  0.127202  0.732336  1
  Ni  Ni266  1  0.054380  0.627662  0.231764  1
  Ni  Ni267  1  0.054694  0.627166  0.732035  1
  Ni  Ni268  1  0.387838  0.126876  0.232010  1
  Ni  Ni269  1  0.387596  0.127008  0.731602  1
  Ni  Ni270  1  0.387886  0.626908  0.231871  1
  Ni  Ni271  1  0.387891  0.627220  0.731731  1
  Ni  Ni272  1  0.721150  0.127430  0.231905  1
  Ni  Ni273  1  0.721652  0.126942  0.732584  1
  Ni  Ni274  1  0.721298  0.627515  0.232050  1
  Ni  Ni275  1  0.721065  0.626970  0.732051  1
  Ni  Ni276  1  0.279290  0.375186  0.266750  1
  Ni  Ni277  1  0.279057  0.374641  0.766750  1
  Ni  Ni278  1  0.278703  0.875214  0.266217  1
  Ni  Ni279  1  0.279204  0.874726  0.766896  1
  Ni  Ni280  1  0.612463  0.374937  0.267069  1
  Ni  Ni281  1  0.612469  0.375248  0.766929  1
  Ni  Ni282  1  0.612758  0.875148  0.267198  1
  Ni  Ni283  1  0.612517  0.875280  0.766790  1
  Ni  Ni284  1  0.945661  0.374990  0.266765  1
  Ni  Ni285  1  0.945974  0.374495  0.767037  1
  Ni  Ni286  1  0.945712  0.874954  0.266465  1
  Ni  Ni287  1  0.946093  0.875302  0.767538  1
  Ni  Ni288  1  0.213337  0.049827  0.481134  1
  Ni  Ni289  1  0.213593  0.049925  0.981539  1
  Ni  Ni290  1  0.213413  0.549880  0.481290  1
  Ni  Ni291  1  0.213608  0.549542  0.981614  1
  Ni  Ni292  1  0.547015  0.049815  0.481846  1
  Ni  Ni293  1  0.546923  0.050136  0.981743  1
  Ni  Ni294  1  0.547008  0.549915  0.481803  1
  Ni  Ni295  1  0.546882  0.550238  0.981683  1
  Ni  Ni296  1  0.880428  0.049809  0.481897  1
  Ni  Ni297  1  0.878975  0.050093  0.981210  1
  Ni  Ni298  1  0.880297  0.550022  0.481701  1
  Ni  Ni299  1  0.880180  0.550015  0.981508  1
  Ni  Ni300  1  0.120174  0.452141  0.017293  1
  Ni  Ni301  1  0.120058  0.452134  0.517099  1
  Ni  Ni302  1  0.121380  0.952063  0.017590  1
  Ni  Ni303  1  0.119927  0.952347  0.516903  1
  Ni  Ni304  1  0.453472  0.451918  0.017118  1
  Ni  Ni305  1  0.453346  0.452241  0.516997  1
  Ni  Ni306  1  0.453431  0.952020  0.017057  1
  Ni  Ni307  1  0.453340  0.952341  0.516955  1
  Ni  Ni308  1  0.786746  0.452614  0.017187  1
  Ni  Ni309  1  0.786941  0.452277  0.517511  1
  Ni  Ni310  1  0.786762  0.952232  0.017261  1
  Ni  Ni311  1  0.787017  0.952329  0.517667  1
  Ni  Ni312  1  0.213444  0.375542  0.477502  1
  Ni  Ni313  1  0.213534  0.375220  0.978132  1
  Ni  Ni314  1  0.213449  0.875849  0.477307  1
  Ni  Ni315  1  0.213452  0.875248  0.977830  1
  Ni  Ni316  1  0.547035  0.375530  0.477976  1
  Ni  Ni317  1  0.546925  0.375966  0.977943  1
  Ni  Ni318  1  0.547002  0.875522  0.478103  1
  Ni  Ni319  1  0.546967  0.875949  0.977934  1
  Ni  Ni320  1  0.880293  0.375630  0.477869  1
  Ni  Ni321  1  0.880126  0.375467  0.977819  1
  Ni  Ni322  1  0.880456  0.875863  0.478079  1
  Ni  Ni323  1  0.879601  0.875783  0.977767  1
  Ni  Ni324  1  0.120753  0.126373  0.021033  1
  Ni  Ni325  1  0.119898  0.126293  0.520722  1
  Ni  Ni326  1  0.120229  0.626690  0.020982  1
  Ni  Ni327  1  0.120061  0.626526  0.520931  1
  Ni  Ni328  1  0.453388  0.126207  0.020867  1
  Ni  Ni329  1  0.453353  0.126634  0.520698  1
  Ni  Ni330  1  0.453430  0.626190  0.020858  1
  Ni  Ni331  1  0.453319  0.626626  0.520824  1
  Ni  Ni332  1  0.786903  0.126908  0.020970  1
  Ni  Ni333  1  0.786906  0.126307  0.521494  1
  Ni  Ni334  1  0.786820  0.626937  0.020669  1
  Ni  Ni335  1  0.786910  0.626615  0.521299  1
  Ni  Ni336  1  0.086163  0.356788  0.369277  1
  Ni  Ni337  1  0.086327  0.356700  0.869902  1
  Ni  Ni338  1  0.086117  0.856973  0.369257  1
  Ni  Ni339  1  0.086131  0.857255  0.870089  1
  Ni  Ni340  1  0.419708  0.357280  0.369682  1
  Ni  Ni341  1  0.419419  0.356460  0.869633  1
  Ni  Ni342  1  0.419551  0.857173  0.369653  1
  Ni  Ni343  1  0.419561  0.856679  0.869645  1
  Ni  Ni344  1  0.753037  0.357078  0.369881  1
  Ni  Ni345  1  0.752833  0.357471  0.869666  1
  Ni  Ni346  1  0.753193  0.857169  0.369984  1
  Ni  Ni347  1  0.752739  0.857534  0.869696  1
