# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63326780
_cell_length_b   15.54425202
_cell_length_c   17.59061528
_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   4748.49929317
_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  0.274826  0.490483  0.128955  1
  Zr  Zr2  1  0.266339  0.526107  0.614631  1
  Zr  Zr3  1  0.273929  0.990014  0.129125  1
  Zr  Zr4  1  0.266666  0.026433  0.615082  1
  Zr  Zr5  1  0.601610  0.510554  0.115844  1
  Zr  Zr6  1  0.604764  0.468557  0.624884  1
  Zr  Zr7  1  0.601456  0.010324  0.115780  1
  Zr  Zr8  1  0.604847  0.968574  0.624966  1
  Zr  Zr9  1  0.929647  0.440613  0.116738  1
  Zr  Zr10  1  0.939992  0.492893  0.617987  1
  Zr  Zr11  1  0.933954  0.944256  0.120092  1
  Zr  Zr12  1  0.940098  0.993097  0.617287  1
  Zr  Zr13  1  0.059521  0.011776  0.367648  1
  Zr  Zr14  1  0.067310  0.973858  0.885068  1
  Zr  Zr15  1  0.058660  0.511875  0.370416  1
  Zr  Zr16  1  0.067112  0.474252  0.884571  1
  Zr  Zr17  1  0.403131  0.060020  0.381921  1
  Zr  Zr18  1  0.393798  0.009272  0.881462  1
  Zr  Zr19  1  0.402864  0.559087  0.381735  1
  Zr  Zr20  1  0.393805  0.509481  0.881276  1
  Zr  Zr21  1  0.732573  0.992856  0.383041  1
  Zr  Zr22  1  0.728003  0.033480  0.873108  1
  Zr  Zr23  1  0.732298  0.493437  0.383294  1
  Zr  Zr24  1  0.728639  0.533857  0.873679  1
  Zr  Zr25  1  0.281822  0.268858  0.288983  1
  Zr  Zr26  1  0.279285  0.212388  0.795575  1
  Zr  Zr27  1  0.284109  0.770221  0.289547  1
  Zr  Zr28  1  0.279445  0.712388  0.795680  1
  Zr  Zr29  1  0.622990  0.197552  0.295406  1
  Zr  Zr30  1  0.613115  0.243193  0.788497  1
  Zr  Zr31  1  0.623225  0.697550  0.295334  1
  Zr  Zr32  1  0.613153  0.743082  0.788339  1
  Zr  Zr33  1  0.941709  0.225764  0.284843  1
  Zr  Zr34  1  0.959385  0.178574  0.791713  1
  Zr  Zr35  1  0.942519  0.723013  0.284943  1
  Zr  Zr36  1  0.959533  0.678746  0.793041  1
  Zr  Zr37  1  0.051090  0.209850  0.212811  1
  Zr  Zr38  1  0.054365  0.289390  0.703036  1
  Zr  Zr39  1  0.050589  0.727240  0.209156  1
  Zr  Zr40  1  0.054221  0.789449  0.703393  1
  Zr  Zr41  1  0.391456  0.280463  0.214278  1
  Zr  Zr42  1  0.373927  0.321852  0.705935  1
  Zr  Zr43  1  0.391980  0.780083  0.214211  1
  Zr  Zr44  1  0.374320  0.821971  0.706337  1
  Zr  Zr45  1  0.711198  0.306126  0.203537  1
  Zr  Zr46  1  0.720599  0.259209  0.710495  1
  Zr  Zr47  1  0.711965  0.807099  0.204410  1
  Zr  Zr48  1  0.720841  0.759148  0.710619  1
  Zr  Zr49  1  0.101322  0.242950  0.022176  1
  Zr  Zr50  1  0.095225  0.288088  0.513821  1
  Zr  Zr51  1  0.100969  0.742987  0.024557  1
  Zr  Zr52  1  0.095789  0.788171  0.514752  1
  Zr  Zr53  1  0.430731  0.279763  0.020132  1
  Zr  Zr54  1  0.431049  0.329483  0.520424  1
  Zr  Zr55  1  0.430771  0.779836  0.020471  1
  Zr  Zr56  1  0.431726  0.829706  0.521147  1
  Zr  Zr57  1  0.759632  0.307416  0.012963  1
  Zr  Zr58  1  0.766641  0.262182  0.521408  1
  Zr  Zr59  1  0.761039  0.808316  0.014124  1
  Zr  Zr60  1  0.767089  0.762573  0.522123  1
  Zr  Zr61  1  0.231650  0.256616  0.473434  1
  Zr  Zr62  1  0.238497  0.213807  0.985083  1
  Zr  Zr63  1  0.232472  0.757421  0.475225  1
  Zr  Zr64  1  0.238069  0.713800  0.985434  1
  Zr  Zr65  1  0.573881  0.195804  0.485826  1
  Zr  Zr66  1  0.566890  0.240548  0.977253  1
  Zr  Zr67  1  0.573891  0.695724  0.485725  1
  Zr  Zr68  1  0.567129  0.740708  0.977485  1
  Zr  Zr69  1  0.903020  0.222559  0.478331  1
  Zr  Zr70  1  0.901109  0.169765  0.976377  1
  Zr  Zr71  1  0.903568  0.723421  0.478968  1
  Zr  Zr72  1  0.902491  0.670621  0.978289  1
  Zr  Zr73  1  0.125350  0.014504  0.156723  1
  Zr  Zr74  1  0.126609  0.062684  0.648995  1
  Zr  Zr75  1  0.127931  0.511936  0.155064  1
  Zr  Zr76  1  0.126381  0.562795  0.648963  1
  Zr  Zr77  1  0.461933  0.053816  0.156388  1
  Zr  Zr78  1  0.455652  0.101739  0.654567  1
  Zr  Zr79  1  0.462071  0.553513  0.156283  1
  Zr  Zr80  1  0.455504  0.601134  0.654557  1
  Zr  Zr81  1  0.790127  0.084232  0.151321  1
  Zr  Zr82  1  0.795511  0.034126  0.655478  1
  Zr  Zr83  1  0.789423  0.584858  0.151204  1
  Zr  Zr84  1  0.795680  0.534238  0.655771  1
  Zr  Zr85  1  0.204067  0.485856  0.343202  1
  Zr  Zr86  1  0.207258  0.438779  0.850467  1
  Zr  Zr87  1  0.207021  0.986221  0.345080  1
  Zr  Zr88  1  0.207263  0.938527  0.850317  1
  Zr  Zr89  1  0.544531  0.420010  0.347831  1
  Zr  Zr90  1  0.537802  0.468182  0.843068  1
  Zr  Zr91  1  0.544550  0.919900  0.347943  1
  Zr  Zr92  1  0.537701  0.967975  0.843071  1
  Zr  Zr93  1  0.871244  0.449594  0.343426  1
  Zr  Zr94  1  0.877565  0.398842  0.844010  1
  Zr  Zr95  1  0.873523  0.950967  0.341991  1
  Zr  Zr96  1  0.877846  0.898918  0.844781  1
  Ni  Ni97  1  0.000280  0.954458  0.002411  1
  Ni  Ni98  1  0.999713  0.005367  0.493159  1
  Ni  Ni99  1  0.000432  0.452189  0.003180  1
  Ni  Ni100  1  0.999145  0.505349  0.494311  1
  Ni  Ni101  1  0.334590  0.996747  0.005344  1
  Ni  Ni102  1  0.332866  0.046611  0.495942  1
  Ni  Ni103  1  0.334615  0.497070  0.005083  1
  Ni  Ni104  1  0.332413  0.545425  0.495430  1
  Ni  Ni105  1  0.664893  0.025705  0.995276  1
  Ni  Ni106  1  0.668892  0.976953  0.503508  1
  Ni  Ni107  1  0.664810  0.526474  0.995214  1
  Ni  Ni108  1  0.668688  0.477111  0.503644  1
  Ni  Ni109  1  0.019475  0.324468  0.079890  1
  Ni  Ni110  1  0.020169  0.379888  0.572729  1
  Ni  Ni111  1  0.019711  0.831457  0.080197  1
  Ni  Ni112  1  0.020541  0.880313  0.572659  1
  Ni  Ni113  1  0.355240  0.369848  0.082572  1
  Ni  Ni114  1  0.348326  0.414765  0.575001  1
  Ni  Ni115  1  0.355064  0.869589  0.082715  1
  Ni  Ni116  1  0.348857  0.915622  0.575577  1
  Ni  Ni117  1  0.682235  0.397834  0.072453  1
  Ni  Ni118  1  0.689116  0.354609  0.582367  1
  Ni  Ni119  1  0.683332  0.897669  0.073264  1
  Ni  Ni120  1  0.689344  0.854700  0.582442  1
  Ni  Ni121  1  0.311473  0.169528  0.417260  1
  Ni  Ni122  1  0.313711  0.122120  0.926411  1
  Ni  Ni123  1  0.314256  0.670643  0.419634  1
  Ni  Ni124  1  0.313512  0.622427  0.926474  1
  Ni  Ni125  1  0.651171  0.105463  0.426109  1
  Ni  Ni126  1  0.644294  0.148088  0.916357  1
  Ni  Ni127  1  0.651560  0.605973  0.426265  1
  Ni  Ni128  1  0.644756  0.648845  0.916710  1
  Ni  Ni129  1  0.978399  0.132360  0.415407  1
  Ni  Ni130  1  0.984380  0.084690  0.922079  1
  Ni  Ni131  1  0.978813  0.632798  0.416596  1
  Ni  Ni132  1  0.984783  0.584444  0.923902  1
  Ni  Ni133  1  0.051687  0.389372  0.228865  1
  Ni  Ni134  1  0.058107  0.455464  0.730745  1
  Ni  Ni135  1  0.054804  0.893554  0.231708  1
  Ni  Ni136  1  0.057898  0.955558  0.730570  1
  Ni  Ni137  1  0.398158  0.447373  0.239281  1
  Ni  Ni138  1  0.381276  0.489842  0.729520  1
  Ni  Ni139  1  0.399028  0.947401  0.239309  1
  Ni  Ni140  1  0.381568  0.990153  0.729862  1
  Ni  Ni141  1  0.718552  0.474038  0.228784  1
  Ni  Ni142  1  0.728032  0.427457  0.737505  1
  Ni  Ni143  1  0.718379  0.973950  0.228662  1
  Ni  Ni144  1  0.727915  0.927205  0.737424  1
  Ni  Ni145  1  0.276972  0.100305  0.266798  1
  Ni  Ni146  1  0.275727  0.046263  0.768647  1
  Ni  Ni147  1  0.279014  0.601542  0.268239  1
  Ni  Ni148  1  0.275590  0.546298  0.768608  1
  Ni  Ni149  1  0.615112  0.029746  0.270271  1
  Ni  Ni150  1  0.605014  0.074600  0.760964  1
  Ni  Ni151  1  0.615040  0.529721  0.270138  1
  Ni  Ni152  1  0.605085  0.574495  0.761135  1
  Ni  Ni153  1  0.941407  0.058231  0.258848  1
  Ni  Ni154  1  0.952859  0.010614  0.769151  1
  Ni  Ni155  1  0.934906  0.555900  0.259997  1
  Ni  Ni156  1  0.952556  0.511012  0.769618  1
  Ni  Ni157  1  0.250689  0.318194  0.132203  1
  Ni  Ni158  1  0.241617  0.351813  0.618104  1
  Ni  Ni159  1  0.250627  0.817408  0.132739  1
  Ni  Ni160  1  0.242075  0.852403  0.618794  1
  Ni  Ni161  1  0.577561  0.336157  0.119424  1
  Ni  Ni162  1  0.580957  0.292952  0.624229  1
  Ni  Ni163  1  0.577953  0.836213  0.119647  1
  Ni  Ni164  1  0.581239  0.792870  0.624359  1
  Ni  Ni165  1  0.915473  0.267454  0.122681  1
  Ni  Ni166  1  0.916088  0.317688  0.621357  1
  Ni  Ni167  1  0.913944  0.768778  0.121428  1
  Ni  Ni168  1  0.916456  0.818659  0.621788  1
  Ni  Ni169  1  0.084428  0.187458  0.371419  1
  Ni  Ni170  1  0.091711  0.147554  0.879675  1
  Ni  Ni171  1  0.083528  0.684372  0.366770  1
  Ni  Ni172  1  0.091765  0.648096  0.880971  1
  Ni  Ni173  1  0.419771  0.232495  0.378021  1
  Ni  Ni174  1  0.417501  0.184284  0.877367  1
  Ni  Ni175  1  0.420617  0.732380  0.378266  1
  Ni  Ni176  1  0.417632  0.684504  0.877647  1
  Ni  Ni177  1  0.756307  0.166539  0.379209  1
  Ni  Ni178  1  0.752583  0.209319  0.874397  1
  Ni  Ni179  1  0.756775  0.667961  0.379955  1
  Ni  Ni180  1  0.752728  0.709774  0.874777  1
  Ni  Ni181  1  0.251717  0.151784  0.130809  1
  Ni  Ni182  1  0.241903  0.187126  0.621887  1
  Ni  Ni183  1  0.251442  0.652816  0.131579  1
  Ni  Ni184  1  0.242158  0.687278  0.622392  1
  Ni  Ni185  1  0.579380  0.172468  0.125249  1
  Ni  Ni186  1  0.577510  0.127043  0.623730  1
  Ni  Ni187  1  0.579518  0.672650  0.125463  1
  Ni  Ni188  1  0.577531  0.626926  0.623869  1
  Ni  Ni189  1  0.904619  0.102984  0.115194  1
  Ni  Ni190  1  0.915778  0.154075  0.625640  1
  Ni  Ni191  1  0.907478  0.603392  0.119034  1
  Ni  Ni192  1  0.916025  0.654647  0.626575  1
  Ni  Ni193  1  0.015277  0.105266  0.072610  1
  Ni  Ni194  1  0.018947  0.155061  0.574439  1
  Ni  Ni195  1  0.015945  0.601389  0.076868  1
  Ni  Ni196  1  0.019134  0.655423  0.575002  1
  Ni  Ni197  1  0.354892  0.146837  0.083644  1
  Ni  Ni198  1  0.347152  0.193175  0.573807  1
  Ni  Ni199  1  0.354758  0.646951  0.083661  1
  Ni  Ni200  1  0.347630  0.692607  0.574533  1
  Ni  Ni201  1  0.681948  0.174100  0.073158  1
  Ni  Ni202  1  0.687618  0.126989  0.581977  1
  Ni  Ni203  1  0.681915  0.674793  0.073405  1
  Ni  Ni204  1  0.687720  0.627065  0.582100  1
  Ni  Ni205  1  0.317114  0.395930  0.421857  1
  Ni  Ni206  1  0.314787  0.346835  0.924157  1
  Ni  Ni207  1  0.317964  0.896074  0.422799  1
  Ni  Ni208  1  0.314711  0.846453  0.924337  1
  Ni  Ni209  1  0.651795  0.328963  0.425720  1
  Ni  Ni210  1  0.645753  0.375892  0.916693  1
  Ni  Ni211  1  0.652401  0.828856  0.425796  1
  Ni  Ni212  1  0.645911  0.875278  0.916871  1
  Ni  Ni213  1  0.978794  0.355987  0.415391  1
  Ni  Ni214  1  0.985685  0.306939  0.924073  1
  Ni  Ni215  1  0.979694  0.856150  0.415162  1
  Ni  Ni216  1  0.986065  0.807857  0.925157  1
  Ni  Ni217  1  0.177290  0.311071  0.326371  1
  Ni  Ni218  1  0.173695  0.255549  0.826131  1
  Ni  Ni219  1  0.178929  0.812130  0.326699  1
  Ni  Ni220  1  0.173619  0.755337  0.826315  1
  Ni  Ni221  1  0.516970  0.238988  0.328090  1
  Ni  Ni222  1  0.502675  0.285860  0.821959  1
  Ni  Ni223  1  0.517633  0.738951  0.328211  1
  Ni  Ni224  1  0.502794  0.785672  0.822195  1
  Ni  Ni225  1  0.835966  0.268208  0.320811  1
  Ni  Ni226  1  0.850149  0.218153  0.823655  1
  Ni  Ni227  1  0.837076  0.768724  0.321084  1
  Ni  Ni228  1  0.850262  0.718255  0.824347  1
  Ni  Ni229  1  0.156922  0.190734  0.167326  1
  Ni  Ni230  1  0.160015  0.245810  0.672552  1
  Ni  Ni231  1  0.155254  0.688557  0.171550  1
  Ni  Ni232  1  0.160183  0.746040  0.673208  1
  Ni  Ni233  1  0.497269  0.235236  0.178055  1
  Ni  Ni234  1  0.483292  0.282180  0.674538  1
  Ni  Ni235  1  0.497335  0.735079  0.177967  1
  Ni  Ni236  1  0.483495  0.781852  0.674781  1
  Ni  Ni237  1  0.816458  0.265364  0.169947  1
  Ni  Ni238  1  0.830857  0.216336  0.676424  1
  Ni  Ni239  1  0.816486  0.766405  0.170461  1
  Ni  Ni240  1  0.831107  0.716427  0.676992  1
  Ni  Ni241  1  0.171534  0.140340  0.313477  1
  Ni  Ni242  1  0.175108  0.088664  0.827790  1
  Ni  Ni243  1  0.177806  0.645069  0.318176  1
  Ni  Ni244  1  0.174985  0.589025  0.827960  1
  Ni  Ni245  1  0.516051  0.074987  0.326658  1
  Ni  Ni246  1  0.502103  0.121453  0.825096  1
  Ni  Ni247  1  0.516314  0.574812  0.326681  1
  Ni  Ni248  1  0.502193  0.621545  0.825203  1
  Ni  Ni249  1  0.838090  0.103553  0.324178  1
  Ni  Ni250  1  0.848542  0.053745  0.821819  1
  Ni  Ni251  1  0.837765  0.603790  0.325279  1
  Ni  Ni252  1  0.848853  0.554065  0.822829  1
  Ni  Ni253  1  0.153713  0.351987  0.181136  1
  Ni  Ni254  1  0.158869  0.412580  0.671327  1
  Ni  Ni255  1  0.156127  0.856168  0.180481  1
  Ni  Ni256  1  0.158957  0.912563  0.671641  1
  Ni  Ni257  1  0.496224  0.399688  0.173816  1
  Ni  Ni258  1  0.484550  0.445905  0.675661  1
  Ni  Ni259  1  0.496252  0.899839  0.173863  1
  Ni  Ni260  1  0.484817  0.946269  0.676118  1
  Ni  Ni261  1  0.816700  0.430462  0.172228  1
  Ni  Ni262  1  0.831611  0.380842  0.673735  1
  Ni  Ni263  1  0.819723  0.931988  0.173008  1
  Ni  Ni264  1  0.831744  0.881119  0.674290  1
  Ni  Ni265  1  0.058174  0.125637  0.731267  1
  Ni  Ni266  1  0.046718  0.565897  0.228396  1
  Ni  Ni267  1  0.057865  0.625499  0.732010  1
  Ni  Ni268  1  0.394737  0.121937  0.240803  1
  Ni  Ni269  1  0.378037  0.158585  0.730353  1
  Ni  Ni270  1  0.395770  0.621989  0.241041  1
  Ni  Ni271  1  0.378047  0.658250  0.730514  1
  Ni  Ni272  1  0.716622  0.141866  0.230434  1
  Ni  Ni273  1  0.725396  0.102026  0.737974  1
  Ni  Ni274  1  0.716823  0.642328  0.230926  1
  Ni  Ni275  1  0.725415  0.601902  0.738099  1
  Ni  Ni276  1  0.285615  0.430725  0.270296  1
  Ni  Ni277  1  0.275951  0.376394  0.767162  1
  Ni  Ni278  1  0.287130  0.931455  0.271143  1
  Ni  Ni279  1  0.276214  0.876336  0.767559  1
  Ni  Ni280  1  0.617373  0.361579  0.268329  1
  Ni  Ni281  1  0.607880  0.400125  0.760582  1
  Ni  Ni282  1  0.616902  0.861351  0.268324  1
  Ni  Ni283  1  0.607772  0.899889  0.760619  1
  Ni  Ni284  1  0.935925  0.383333  0.258195  1
  Ni  Ni285  1  0.955604  0.342674  0.768360  1
  Ni  Ni286  1  0.936917  0.879092  0.258327  1
  Ni  Ni287  1  0.955666  0.842494  0.768821  1
  Ni  Ni288  1  0.210198  0.086751  0.475148  1
  Ni  Ni289  1  0.215619  0.042363  0.985842  1
  Ni  Ni290  1  0.210811  0.586873  0.475442  1
  Ni  Ni291  1  0.215228  0.542671  0.986373  1
  Ni  Ni292  1  0.549266  0.021863  0.476833  1
  Ni  Ni293  1  0.543850  0.069819  0.977464  1
  Ni  Ni294  1  0.549219  0.521930  0.476762  1
  Ni  Ni295  1  0.543894  0.570185  0.977503  1
  Ni  Ni296  1  0.881020  0.052344  0.478705  1
  Ni  Ni297  1  0.879958  0.997980  0.971058  1
  Ni  Ni298  1  0.881064  0.553177  0.480041  1
  Ni  Ni299  1  0.880123  0.497606  0.971341  1
  Ni  Ni300  1  0.122508  0.412517  0.023654  1
  Ni  Ni301  1  0.118376  0.459206  0.512578  1
  Ni  Ni302  1  0.122923  0.913907  0.024981  1
  Ni  Ni303  1  0.118479  0.959379  0.512056  1
  Ni  Ni304  1  0.452808  0.449921  0.019378  1
  Ni  Ni305  1  0.453516  0.501762  0.527690  1
  Ni  Ni306  1  0.452774  0.949857  0.019636  1
  Ni  Ni307  1  0.453762  0.002223  0.527999  1
  Ni  Ni308  1  0.783728  0.481750  0.021626  1
  Ni  Ni309  1  0.789836  0.433068  0.521436  1
  Ni  Ni310  1  0.784072  0.981010  0.021480  1
  Ni  Ni311  1  0.790289  0.933151  0.521772  1
  Ni  Ni312  1  0.213271  0.414996  0.473447  1
  Ni  Ni313  1  0.218819  0.371542  0.986147  1
  Ni  Ni314  1  0.213917  0.915799  0.474006  1
  Ni  Ni315  1  0.218577  0.871443  0.986657  1
  Ni  Ni316  1  0.547516  0.349998  0.478412  1
  Ni  Ni317  1  0.546442  0.398223  0.975627  1
  Ni  Ni318  1  0.547917  0.850066  0.478560  1
  Ni  Ni319  1  0.546827  0.898026  0.975877  1
  Ni  Ni320  1  0.882110  0.379875  0.477520  1
  Ni  Ni321  1  0.879146  0.325288  0.973847  1
  Ni  Ni322  1  0.882785  0.880276  0.476789  1
  Ni  Ni323  1  0.879271  0.826700  0.974516  1
  Ni  Ni324  1  0.120066  0.084274  0.025183  1
  Ni  Ni325  1  0.114919  0.130077  0.512651  1
  Ni  Ni326  1  0.119668  0.584076  0.025813  1
  Ni  Ni327  1  0.115178  0.630483  0.512954  1
  Ni  Ni328  1  0.451591  0.122648  0.021830  1
  Ni  Ni329  1  0.454254  0.174395  0.525364  1
  Ni  Ni330  1  0.451554  0.622771  0.021928  1
  Ni  Ni331  1  0.454632  0.673855  0.525658  1
  Ni  Ni332  1  0.785611  0.153280  0.019735  1
  Ni  Ni333  1  0.787191  0.104780  0.523197  1
  Ni  Ni334  1  0.785987  0.653410  0.020103  1
  Ni  Ni335  1  0.787342  0.605178  0.523536  1
  Ni  Ni336  1  0.082576  0.349298  0.367880  1
  Ni  Ni337  1  0.091421  0.313296  0.876471  1
  Ni  Ni338  1  0.083451  0.848356  0.368863  1
  Ni  Ni339  1  0.091587  0.813134  0.877304  1
  Ni  Ni340  1  0.425319  0.397283  0.379115  1
  Ni  Ni341  1  0.417676  0.347923  0.872351  1
  Ni  Ni342  1  0.425813  0.897843  0.379608  1
  Ni  Ni343  1  0.417973  0.848014  0.872839  1
  Ni  Ni344  1  0.754364  0.330877  0.373876  1
  Ni  Ni345  1  0.756022  0.375457  0.875046  1
  Ni  Ni346  1  0.755360  0.831777  0.374012  1
  Ni  Ni347  1  0.755941  0.875504  0.875058  1
