# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63036888
_cell_length_b   15.54348168
_cell_length_c   17.58955676
_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   4747.2771859
_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  0.272535  0.485333  0.122683  1
  Zr  Zr2  1  0.271962  0.485450  0.622191  1
  Zr  Zr3  1  0.272276  0.985158  0.122920  1
  Zr  Zr4  1  0.271871  0.985231  0.622434  1
  Zr  Zr5  1  0.605604  0.486066  0.122915  1
  Zr  Zr6  1  0.605963  0.485380  0.623681  1
  Zr  Zr7  1  0.605547  0.986095  0.122722  1
  Zr  Zr8  1  0.605612  0.985245  0.623005  1
  Zr  Zr9  1  0.938415  0.481850  0.122729  1
  Zr  Zr10  1  0.938599  0.484054  0.622320  1
  Zr  Zr11  1  0.938821  0.983430  0.122215  1
  Zr  Zr12  1  0.938634  0.984262  0.622035  1
  Zr  Zr13  1  0.061571  0.016997  0.375567  1
  Zr  Zr14  1  0.061731  0.015045  0.876111  1
  Zr  Zr15  1  0.061783  0.517359  0.376977  1
  Zr  Zr16  1  0.061602  0.513706  0.877470  1
  Zr  Zr17  1  0.394882  0.017705  0.376435  1
  Zr  Zr18  1  0.394743  0.017045  0.876384  1
  Zr  Zr19  1  0.396108  0.518111  0.377065  1
  Zr  Zr20  1  0.394781  0.517072  0.876179  1
  Zr  Zr21  1  0.729179  0.018984  0.376382  1
  Zr  Zr22  1  0.728855  0.019749  0.876604  1
  Zr  Zr23  1  0.728659  0.518002  0.376902  1
  Zr  Zr24  1  0.729090  0.518737  0.877145  1
  Zr  Zr25  1  0.281457  0.215664  0.292524  1
  Zr  Zr26  1  0.282374  0.214751  0.793444  1
  Zr  Zr27  1  0.282489  0.715029  0.292759  1
  Zr  Zr28  1  0.282257  0.714738  0.793355  1
  Zr  Zr29  1  0.615219  0.215357  0.294295  1
  Zr  Zr30  1  0.615127  0.215757  0.793066  1
  Zr  Zr31  1  0.616559  0.715598  0.293692  1
  Zr  Zr32  1  0.615962  0.716123  0.793890  1
  Zr  Zr33  1  0.953064  0.216268  0.290236  1
  Zr  Zr34  1  0.950397  0.213366  0.792437  1
  Zr  Zr35  1  0.949492  0.715319  0.292749  1
  Zr  Zr36  1  0.950713  0.712812  0.794107  1
  Zr  Zr37  1  0.050266  0.289678  0.197485  1
  Zr  Zr38  1  0.051566  0.286516  0.704222  1
  Zr  Zr39  1  0.051214  0.784501  0.204260  1
  Zr  Zr40  1  0.050893  0.786815  0.705037  1
  Zr  Zr41  1  0.385098  0.287345  0.206380  1
  Zr  Zr42  1  0.383540  0.287484  0.705460  1
  Zr  Zr43  1  0.384714  0.787289  0.206099  1
  Zr  Zr44  1  0.384046  0.787379  0.705934  1
  Zr  Zr45  1  0.716051  0.287530  0.206994  1
  Zr  Zr46  1  0.717025  0.286890  0.705845  1
  Zr  Zr47  1  0.717481  0.788345  0.205782  1
  Zr  Zr48  1  0.717858  0.787369  0.706658  1
  Zr  Zr49  1  0.094758  0.281522  0.017787  1
  Zr  Zr50  1  0.095366  0.281634  0.516602  1
  Zr  Zr51  1  0.095123  0.779226  0.017195  1
  Zr  Zr52  1  0.095349  0.781812  0.517007  1
  Zr  Zr53  1  0.428441  0.282046  0.017043  1
  Zr  Zr54  1  0.428412  0.282408  0.516895  1
  Zr  Zr55  1  0.428965  0.782264  0.017135  1
  Zr  Zr56  1  0.428913  0.782483  0.517316  1
  Zr  Zr57  1  0.762162  0.283095  0.017391  1
  Zr  Zr58  1  0.762251  0.282460  0.517463  1
  Zr  Zr59  1  0.762268  0.782995  0.017311  1
  Zr  Zr60  1  0.762451  0.782611  0.517298  1
  Zr  Zr61  1  0.238093  0.220552  0.481137  1
  Zr  Zr62  1  0.237860  0.220292  0.981936  1
  Zr  Zr63  1  0.238341  0.720396  0.481890  1
  Zr  Zr64  1  0.238539  0.720351  0.982020  1
  Zr  Zr65  1  0.571712  0.220618  0.482271  1
  Zr  Zr66  1  0.571424  0.221042  0.981942  1
  Zr  Zr67  1  0.572022  0.720674  0.482320  1
  Zr  Zr68  1  0.571908  0.721198  0.982059  1
  Zr  Zr69  1  0.904834  0.219676  0.481649  1
  Zr  Zr70  1  0.906451  0.220222  0.983076  1
  Zr  Zr71  1  0.905134  0.719698  0.481801  1
  Zr  Zr72  1  0.905567  0.717784  0.982302  1
  Zr  Zr73  1  0.124887  0.049120  0.150648  1
  Zr  Zr74  1  0.124976  0.050079  0.650931  1
  Zr  Zr75  1  0.125328  0.547662  0.152005  1
  Zr  Zr76  1  0.124933  0.550068  0.651095  1
  Zr  Zr77  1  0.458527  0.050462  0.151349  1
  Zr  Zr78  1  0.458249  0.050700  0.651032  1
  Zr  Zr79  1  0.458747  0.550833  0.150962  1
  Zr  Zr80  1  0.458539  0.550648  0.651094  1
  Zr  Zr81  1  0.792251  0.052086  0.150832  1
  Zr  Zr82  1  0.791968  0.050325  0.651718  1
  Zr  Zr83  1  0.792181  0.550501  0.151559  1
  Zr  Zr84  1  0.792177  0.550431  0.651974  1
  Zr  Zr85  1  0.208372  0.452196  0.346242  1
  Zr  Zr86  1  0.208317  0.451194  0.848407  1
  Zr  Zr87  1  0.208470  0.951715  0.347573  1
  Zr  Zr88  1  0.208544  0.951372  0.848077  1
  Zr  Zr89  1  0.542475  0.452469  0.348840  1
  Zr  Zr90  1  0.541841  0.452690  0.847986  1
  Zr  Zr91  1  0.542347  0.952290  0.348144  1
  Zr  Zr92  1  0.541986  0.952793  0.848011  1
  Zr  Zr93  1  0.875280  0.451379  0.347105  1
  Zr  Zr94  1  0.875878  0.449335  0.849056  1
  Zr  Zr95  1  0.875442  0.952347  0.347270  1
  Zr  Zr96  1  0.875259  0.950061  0.847451  1
  Ni  Ni97  1  0.999905  0.998579  0.998090  1
  Ni  Ni98  1  1.000181  1.000793  0.498627  1
  Ni  Ni99  1  0.000589  0.492831  0.002335  1
  Ni  Ni100  1  1.000096  0.500193  0.498734  1
  Ni  Ni101  1  0.333542  1.001030  -0.000159  1
  Ni  Ni102  1  0.333368  0.001512  0.499304  1
  Ni  Ni103  1  0.333661  0.501102  -0.000413  1
  Ni  Ni104  1  0.333480  0.501446  0.499015  1
  Ni  Ni105  1  0.667212  0.003052  -0.000350  1
  Ni  Ni106  1  0.667181  0.001451  0.499818  1
  Ni  Ni107  1  0.667097  0.501888  -0.000125  1
  Ni  Ni108  1  0.667310  0.501844  0.500578  1
  Ni  Ni109  1  0.019757  0.376262  0.577047  1
  Ni  Ni110  1  0.019804  0.875509  0.077470  1
  Ni  Ni111  1  0.019734  0.876516  0.577238  1
  Ni  Ni112  1  0.353227  0.376524  0.077906  1
  Ni  Ni113  1  0.352490  0.376873  0.577113  1
  Ni  Ni114  1  0.353199  0.876431  0.077955  1
  Ni  Ni115  1  0.352960  0.876926  0.577741  1
  Ni  Ni116  1  0.686187  0.376949  0.078249  1
  Ni  Ni117  1  0.686624  0.376992  0.578518  1
  Ni  Ni118  1  0.686456  0.878121  0.077859  1
  Ni  Ni119  1  0.686782  0.876926  0.578288  1
  Ni  Ni120  1  0.313531  0.126005  0.420780  1
  Ni  Ni121  1  0.313741  0.125442  0.921440  1
  Ni  Ni122  1  0.314266  0.626088  0.421216  1
  Ni  Ni123  1  0.314052  0.625655  0.921246  1
  Ni  Ni124  1  0.647563  0.125913  0.421662  1
  Ni  Ni125  1  0.647471  0.126981  0.921352  1
  Ni  Ni126  1  0.647785  0.626083  0.421906  1
  Ni  Ni127  1  0.647556  0.626260  0.921620  1
  Ni  Ni128  1  0.980842  0.126209  0.420210  1
  Ni  Ni129  1  0.980876  0.124713  0.920716  1
  Ni  Ni130  1  0.980607  0.625328  0.420868  1
  Ni  Ni131  1  0.981454  0.620583  0.922402  1
  Ni  Ni132  1  0.063631  0.455934  0.241151  1
  Ni  Ni133  1  0.062519  0.453526  0.736826  1
  Ni  Ni134  1  0.063029  0.952184  0.236666  1
  Ni  Ni135  1  0.062852  0.953996  0.736595  1
  Ni  Ni136  1  0.397460  0.454921  0.237285  1
  Ni  Ni137  1  0.395976  0.454637  0.736724  1
  Ni  Ni138  1  0.396592  0.954307  0.237241  1
  Ni  Ni139  1  0.396114  0.954662  0.736932  1
  Ni  Ni140  1  0.729520  0.455169  0.237338  1
  Ni  Ni141  1  0.730455  0.454232  0.738052  1
  Ni  Ni142  1  0.730163  0.955816  0.237045  1
  Ni  Ni143  1  0.729950  0.954619  0.737632  1
  Ni  Ni144  1  0.270637  0.048345  0.261980  1
  Ni  Ni145  1  0.270595  0.047764  0.762015  1
  Ni  Ni146  1  0.271595  0.548450  0.262082  1
  Ni  Ni147  1  0.270559  0.547529  0.762002  1
  Ni  Ni148  1  0.604469  0.048619  0.262250  1
  Ni  Ni149  1  0.603992  0.048783  0.761997  1
  Ni  Ni150  1  0.604266  0.548290  0.262458  1
  Ni  Ni151  1  0.604447  0.548971  0.762481  1
  Ni  Ni152  1  0.937189  0.047864  0.261268  1
  Ni  Ni153  1  0.937573  0.045964  0.761904  1
  Ni  Ni154  1  0.937975  0.547455  0.261463  1
  Ni  Ni155  1  0.937715  0.545538  0.762417  1
  Ni  Ni156  1  0.244792  0.309305  0.121432  1
  Ni  Ni157  1  0.244516  0.309870  0.621022  1
  Ni  Ni158  1  0.244970  0.809203  0.121938  1
  Ni  Ni159  1  0.244758  0.809581  0.621581  1
  Ni  Ni160  1  0.577687  0.310433  0.121603  1
  Ni  Ni161  1  0.577910  0.309754  0.621860  1
  Ni  Ni162  1  0.578391  0.810640  0.121750  1
  Ni  Ni163  1  0.578486  0.809870  0.622161  1
  Ni  Ni164  1  0.910152  0.307748  0.120569  1
  Ni  Ni165  1  0.911883  0.308689  0.621680  1
  Ni  Ni166  1  0.911701  0.807202  0.121612  1
  Ni  Ni167  1  0.911706  0.808669  0.621359  1
  Ni  Ni168  1  0.089746  0.192930  0.377086  1
  Ni  Ni169  1  0.089078  0.191448  0.878007  1
  Ni  Ni170  1  0.088811  0.692482  0.376954  1
  Ni  Ni171  1  0.089074  0.689709  0.877906  1
  Ni  Ni172  1  0.421637  0.193185  0.377032  1
  Ni  Ni173  1  0.421795  0.192647  0.877211  1
  Ni  Ni174  1  0.422361  0.693504  0.377337  1
  Ni  Ni175  1  0.422115  0.692831  0.877258  1
  Ni  Ni176  1  0.755612  0.194162  0.377207  1
  Ni  Ni177  1  0.756493  0.195333  0.878261  1
  Ni  Ni178  1  0.755828  0.693688  0.377693  1
  Ni  Ni179  1  0.755864  0.694364  0.877842  1
  Ni  Ni180  1  0.247401  0.145360  0.129277  1
  Ni  Ni181  1  0.247180  0.145526  0.628912  1
  Ni  Ni182  1  0.247362  0.644693  0.129305  1
  Ni  Ni183  1  0.247349  0.645369  0.629194  1
  Ni  Ni184  1  0.580649  0.146082  0.129482  1
  Ni  Ni185  1  0.580628  0.145272  0.629315  1
  Ni  Ni186  1  0.580936  0.646440  0.129325  1
  Ni  Ni187  1  0.581170  0.645704  0.629907  1
  Ni  Ni188  1  0.914636  0.143956  0.127926  1
  Ni  Ni189  1  0.914111  0.144292  0.628520  1
  Ni  Ni190  1  0.914608  0.642112  0.129235  1
  Ni  Ni191  1  0.914354  0.644328  0.629318  1
  Ni  Ni192  1  0.017563  0.146429  0.076488  1
  Ni  Ni193  1  0.017801  0.150232  0.577346  1
  Ni  Ni194  1  0.017801  0.645784  0.077493  1
  Ni  Ni195  1  0.017768  0.650175  0.577689  1
  Ni  Ni196  1  0.351113  0.151174  0.078093  1
  Ni  Ni197  1  0.350834  0.151424  0.577594  1
  Ni  Ni198  1  0.351601  0.651432  0.078122  1
  Ni  Ni199  1  0.351184  0.651369  0.577920  1
  Ni  Ni200  1  0.684709  0.152806  0.078261  1
  Ni  Ni201  1  0.684718  0.151300  0.578356  1
  Ni  Ni202  1  0.684730  0.651848  0.078150  1
  Ni  Ni203  1  0.685245  0.651929  0.578856  1
  Ni  Ni204  1  0.315240  0.351314  0.420332  1
  Ni  Ni205  1  0.315631  0.351105  0.921073  1
  Ni  Ni206  1  0.315905  0.851265  0.421067  1
  Ni  Ni207  1  0.315779  0.851209  0.921132  1
  Ni  Ni208  1  0.649406  0.351972  0.421827  1
  Ni  Ni209  1  0.648990  0.351933  0.921341  1
  Ni  Ni210  1  0.649630  0.851745  0.421419  1
  Ni  Ni211  1  0.649437  0.852683  0.921499  1
  Ni  Ni212  1  0.982531  0.349670  0.420009  1
  Ni  Ni213  1  0.982303  0.347535  0.920283  1
  Ni  Ni214  1  0.982514  0.850841  0.420497  1
  Ni  Ni215  1  0.982599  0.849079  0.920925  1
  Ni  Ni216  1  0.174662  0.276088  0.322240  1
  Ni  Ni217  1  0.176517  0.274147  0.825119  1
  Ni  Ni218  1  0.176984  0.775011  0.324953  1
  Ni  Ni219  1  0.176371  0.774122  0.825400  1
  Ni  Ni220  1  0.510357  0.275617  0.325993  1
  Ni  Ni221  1  0.509740  0.275800  0.825306  1
  Ni  Ni222  1  0.510698  0.775617  0.325650  1
  Ni  Ni223  1  0.510225  0.775940  0.825598  1
  Ni  Ni224  1  0.844235  0.274692  0.324521  1
  Ni  Ni225  1  0.843937  0.273376  0.824772  1
  Ni  Ni226  1  0.843479  0.775494  0.325121  1
  Ni  Ni227  1  0.844143  0.773510  0.825299  1
  Ni  Ni228  1  0.156222  0.225962  0.172115  1
  Ni  Ni229  1  0.157052  0.226848  0.673276  1
  Ni  Ni230  1  0.156701  0.724734  0.173017  1
  Ni  Ni231  1  0.156761  0.726938  0.673545  1
  Ni  Ni232  1  0.490275  0.227424  0.173770  1
  Ni  Ni233  1  0.489591  0.227557  0.673429  1
  Ni  Ni234  1  0.490625  0.727727  0.173925  1
  Ni  Ni235  1  0.490095  0.727472  0.673831  1
  Ni  Ni236  1  0.823447  0.227959  0.174241  1
  Ni  Ni237  1  0.823720  0.226990  0.673855  1
  Ni  Ni238  1  0.823256  0.727318  0.173860  1
  Ni  Ni239  1  0.824403  0.727123  0.674522  1
  Ni  Ni240  1  0.172758  0.107520  0.325626  1
  Ni  Ni241  1  0.173089  0.106941  0.826968  1
  Ni  Ni242  1  0.173636  0.608087  0.326744  1
  Ni  Ni243  1  0.172954  0.606478  0.827009  1
  Ni  Ni244  1  0.506386  0.107650  0.327425  1
  Ni  Ni245  1  0.506323  0.108148  0.826893  1
  Ni  Ni246  1  0.507225  0.608228  0.326963  1
  Ni  Ni247  1  0.506570  0.608213  0.826841  1
  Ni  Ni248  1  0.841298  0.109337  0.324990  1
  Ni  Ni249  1  0.840730  0.107431  0.827568  1
  Ni  Ni250  1  0.840060  0.607872  0.326625  1
  Ni  Ni251  1  0.840969  0.606108  0.827466  1
  Ni  Ni252  1  0.163081  0.394569  0.172241  1
  Ni  Ni253  1  0.160558  0.394746  0.671780  1
  Ni  Ni254  1  0.160656  0.893434  0.172171  1
  Ni  Ni255  1  0.160434  0.894630  0.672139  1
  Ni  Ni256  1  0.493866  0.395201  0.172540  1
  Ni  Ni257  1  0.493461  0.395039  0.672384  1
  Ni  Ni258  1  0.494056  0.895020  0.172515  1
  Ni  Ni259  1  0.493734  0.894961  0.672625  1
  Ni  Ni260  1  0.826542  0.394258  0.172528  1
  Ni  Ni261  1  0.827264  0.394002  0.672989  1
  Ni  Ni262  1  0.827026  0.895239  0.172021  1
  Ni  Ni263  1  0.827374  0.894078  0.672352  1
  Ni  Ni264  1  0.054350  0.128829  0.230964  1
  Ni  Ni265  1  0.054427  0.126663  0.731995  1
  Ni  Ni266  1  0.054722  0.625665  0.231777  1
  Ni  Ni267  1  0.054364  0.626602  0.732002  1
  Ni  Ni268  1  0.387975  0.127257  0.232143  1
  Ni  Ni269  1  0.387577  0.127534  0.731845  1
  Ni  Ni270  1  0.388375  0.627380  0.232185  1
  Ni  Ni271  1  0.387624  0.627271  0.731985  1
  Ni  Ni272  1  0.720996  0.127746  0.232050  1
  Ni  Ni273  1  0.721623  0.127339  0.732826  1
  Ni  Ni274  1  0.721301  0.628127  0.232258  1
  Ni  Ni275  1  0.722109  0.627372  0.733017  1
  Ni  Ni276  1  0.280688  0.375962  0.266888  1
  Ni  Ni277  1  0.278819  0.374736  0.766870  1
  Ni  Ni278  1  0.279590  0.875251  0.267113  1
  Ni  Ni279  1  0.279061  0.874860  0.766994  1
  Ni  Ni280  1  0.612412  0.375478  0.267387  1
  Ni  Ni281  1  0.612603  0.376184  0.767193  1
  Ni  Ni282  1  0.613004  0.875687  0.267299  1
  Ni  Ni283  1  0.612882  0.876151  0.767441  1
  Ni  Ni284  1  0.945754  0.374991  0.266097  1
  Ni  Ni285  1  0.946003  0.373242  0.767208  1
  Ni  Ni286  1  0.945641  0.875070  0.266298  1
  Ni  Ni287  1  0.946147  0.873065  0.766974  1
  Ni  Ni288  1  0.213319  0.050365  0.481215  1
  Ni  Ni289  1  0.213487  0.049920  0.982090  1
  Ni  Ni290  1  0.213514  0.550100  0.481125  1
  Ni  Ni291  1  0.214183  0.550543  0.981678  1
  Ni  Ni292  1  0.547031  0.050213  0.481922  1
  Ni  Ni293  1  0.546948  0.051021  0.981857  1
  Ni  Ni294  1  0.547587  0.550690  0.482885  1
  Ni  Ni295  1  0.547012  0.550854  0.982049  1
  Ni  Ni296  1  0.880428  0.049664  0.481017  1
  Ni  Ni297  1  0.880266  0.048978  0.980592  1
  Ni  Ni298  1  0.880289  0.549201  0.481328  1
  Ni  Ni299  1  0.880724  0.547268  0.981903  1
  Ni  Ni300  1  0.122175  0.451017  0.016735  1
  Ni  Ni301  1  0.120115  0.451695  0.516796  1
  Ni  Ni302  1  0.120191  0.950214  0.016953  1
  Ni  Ni303  1  0.120084  0.952007  0.516660  1
  Ni  Ni304  1  0.453474  0.452259  0.017097  1
  Ni  Ni305  1  0.453573  0.452504  0.517399  1
  Ni  Ni306  1  0.453560  0.952469  0.017302  1
  Ni  Ni307  1  0.453517  0.952730  0.517438  1
  Ni  Ni308  1  0.786945  0.452807  0.018123  1
  Ni  Ni309  1  0.787011  0.452826  0.518059  1
  Ni  Ni310  1  0.787057  0.953552  0.017547  1
  Ni  Ni311  1  0.787152  0.952952  0.517496  1
  Ni  Ni312  1  0.212977  0.376104  0.476745  1
  Ni  Ni313  1  0.213603  0.375375  0.978526  1
  Ni  Ni314  1  0.213475  0.875829  0.477686  1
  Ni  Ni315  1  0.213791  0.875515  0.978534  1
  Ni  Ni316  1  0.547036  0.376273  0.478576  1
  Ni  Ni317  1  0.546915  0.376640  0.978154  1
  Ni  Ni318  1  0.547167  0.875971  0.478227  1
  Ni  Ni319  1  0.547153  0.876873  0.978069  1
  Ni  Ni320  1  0.880261  0.375021  0.477466  1
  Ni  Ni321  1  0.876874  0.372391  0.975906  1
  Ni  Ni322  1  0.880276  0.875360  0.477200  1
  Ni  Ni323  1  0.880030  0.873471  0.977549  1
  Ni  Ni324  1  0.119918  0.125446  0.020587  1
  Ni  Ni325  1  0.120042  0.126098  0.520587  1
  Ni  Ni326  1  0.120016  0.623035  0.021608  1
  Ni  Ni327  1  0.120149  0.626308  0.521075  1
  Ni  Ni328  1  0.453268  0.126588  0.021066  1
  Ni  Ni329  1  0.453270  0.127026  0.520896  1
  Ni  Ni330  1  0.453504  0.626647  0.020810  1
  Ni  Ni331  1  0.453733  0.627174  0.521387  1
  Ni  Ni332  1  0.787656  0.128751  0.021151  1
  Ni  Ni333  1  0.786860  0.126969  0.521411  1
  Ni  Ni334  1  0.787426  0.627419  0.021784  1
  Ni  Ni335  1  0.787237  0.627018  0.521649  1
  Ni  Ni336  1  0.085881  0.357095  0.367030  1
  Ni  Ni337  1  0.086409  0.354141  0.869689  1
  Ni  Ni338  1  0.086144  0.856501  0.368925  1
  Ni  Ni339  1  0.086561  0.854528  0.869914  1
  Ni  Ni340  1  0.419554  0.357331  0.369872  1
  Ni  Ni341  1  0.419429  0.356847  0.869729  1
  Ni  Ni342  1  0.419781  0.857657  0.369962  1
  Ni  Ni343  1  0.419543  0.856939  0.869849  1
  Ni  Ni344  1  0.753022  0.358058  0.370410  1
  Ni  Ni345  1  0.751693  0.358452  0.869107  1
  Ni  Ni346  1  0.753120  0.858421  0.369783  1
  Ni  Ni347  1  0.752799  0.859017  0.870033  1
