# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63041853
_cell_length_b   15.54748412
_cell_length_c   17.58772088
_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   4748.0159996
_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  0.269586  0.459461  0.113862  1
  Zr  Zr2  1  0.266757  0.449680  0.614657  1
  Zr  Zr3  1  0.270194  0.960024  0.112896  1
  Zr  Zr4  1  0.266745  0.949233  0.614246  1
  Zr  Zr5  1  0.602254  0.480345  0.118389  1
  Zr  Zr6  1  0.606583  0.479301  0.624893  1
  Zr  Zr7  1  0.602657  0.980173  0.118820  1
  Zr  Zr8  1  0.607149  0.979293  0.625466  1
  Zr  Zr9  1  0.939802  0.498531  0.134859  1
  Zr  Zr10  1  0.937450  0.509002  0.626641  1
  Zr  Zr11  1  0.941122  0.997923  0.136291  1
  Zr  Zr12  1  0.937756  0.009015  0.627076  1
  Zr  Zr13  1  0.068289  0.052327  0.384543  1
  Zr  Zr14  1  0.064656  0.042694  0.885517  1
  Zr  Zr15  1  0.066637  0.551659  0.384299  1
  Zr  Zr16  1  0.064277  0.542824  0.884955  1
  Zr  Zr17  1  0.396514  0.991405  0.373507  1
  Zr  Zr18  1  0.394166  0.003643  0.863995  1
  Zr  Zr19  1  0.396164  0.491519  0.372395  1
  Zr  Zr20  1  0.394112  0.503480  0.864034  1
  Zr  Zr21  1  0.727230  0.021893  0.374197  1
  Zr  Zr22  1  0.731704  0.021963  0.880595  1
  Zr  Zr23  1  0.726864  0.521805  0.373930  1
  Zr  Zr24  1  0.731324  0.521956  0.880103  1
  Zr  Zr25  1  0.286210  0.191340  0.283698  1
  Zr  Zr26  1  0.280706  0.212026  0.778953  1
  Zr  Zr27  1  0.287356  0.692360  0.283421  1
  Zr  Zr28  1  0.280788  0.712087  0.778967  1
  Zr  Zr29  1  0.609437  0.210097  0.290126  1
  Zr  Zr30  1  0.618116  0.223243  0.789924  1
  Zr  Zr31  1  0.611040  0.710674  0.290375  1
  Zr  Zr32  1  0.618617  0.723636  0.790330  1
  Zr  Zr33  1  0.948980  0.257008  0.298112  1
  Zr  Zr34  1  0.944629  0.228094  0.800678  1
  Zr  Zr35  1  0.949477  0.757437  0.298259  1
  Zr  Zr36  1  0.944635  0.728446  0.800842  1
  Zr  Zr37  1  0.053627  0.290324  0.220263  1
  Zr  Zr38  1  0.046304  0.308563  0.716002  1
  Zr  Zr39  1  0.054654  0.792091  0.221218  1
  Zr  Zr40  1  0.046603  0.808523  0.716787  1
  Zr  Zr41  1  0.387498  0.273120  0.198846  1
  Zr  Zr42  1  0.383373  0.243169  0.699097  1
  Zr  Zr43  1  0.388857  0.773879  0.198764  1
  Zr  Zr44  1  0.384460  0.743639  0.700501  1
  Zr  Zr45  1  0.714706  0.279039  0.208587  1
  Zr  Zr46  1  0.722615  0.290202  0.708477  1
  Zr  Zr47  1  0.715574  0.779083  0.208640  1
  Zr  Zr48  1  0.723174  0.790274  0.709065  1
  Zr  Zr49  1  0.099123  0.298545  0.026703  1
  Zr  Zr50  1  0.096071  0.314586  0.520648  1
  Zr  Zr51  1  0.099011  0.799330  0.026739  1
  Zr  Zr52  1  0.096275  0.814274  0.521095  1
  Zr  Zr53  1  0.427209  0.268641  0.008800  1
  Zr  Zr54  1  0.430856  0.254104  0.514996  1
  Zr  Zr55  1  0.427597  0.768461  0.009570  1
  Zr  Zr56  1  0.432212  0.754497  0.516408  1
  Zr  Zr57  1  0.765047  0.283434  0.023036  1
  Zr  Zr58  1  0.763464  0.286159  0.519358  1
  Zr  Zr59  1  0.765600  0.783237  0.023653  1
  Zr  Zr60  1  0.763758  0.786214  0.519728  1
  Zr  Zr61  1  0.236549  0.185445  0.476437  1
  Zr  Zr62  1  0.234807  0.203288  0.971839  1
  Zr  Zr63  1  0.237538  0.686465  0.478094  1
  Zr  Zr64  1  0.235169  0.703109  0.972826  1
  Zr  Zr65  1  0.570267  0.214927  0.479520  1
  Zr  Zr66  1  0.568427  0.219001  0.975007  1
  Zr  Zr67  1  0.570289  0.714900  0.479600  1
  Zr  Zr68  1  0.568608  0.718968  0.975428  1
  Zr  Zr69  1  0.901319  0.246203  0.482517  1
  Zr  Zr70  1  0.906636  0.233668  0.989639  1
  Zr  Zr71  1  0.901433  0.746361  0.482806  1
  Zr  Zr72  1  0.906440  0.733521  0.989457  1
  Zr  Zr73  1  0.128145  0.063293  0.165857  1
  Zr  Zr74  1  0.122564  0.083310  0.656166  1
  Zr  Zr75  1  0.125906  0.562833  0.160911  1
  Zr  Zr76  1  0.122342  0.583219  0.656497  1
  Zr  Zr77  1  0.454954  0.037229  0.139549  1
  Zr  Zr78  1  0.459417  0.016137  0.648013  1
  Zr  Zr79  1  0.454490  0.537286  0.139861  1
  Zr  Zr80  1  0.459163  0.515739  0.647901  1
  Zr  Zr81  1  0.790424  0.045181  0.154741  1
  Zr  Zr82  1  0.792617  0.055791  0.650510  1
  Zr  Zr83  1  0.790693  0.545320  0.154716  1
  Zr  Zr84  1  0.792258  0.555769  0.650127  1
  Zr  Zr85  1  0.211186  0.417599  0.342265  1
  Zr  Zr86  1  0.208042  0.439302  0.838047  1
  Zr  Zr87  1  0.211448  0.923586  0.341698  1
  Zr  Zr88  1  0.208109  0.939236  0.838075  1
  Zr  Zr89  1  0.541245  0.444860  0.348656  1
  Zr  Zr90  1  0.542984  0.456988  0.843596  1
  Zr  Zr91  1  0.541386  0.944879  0.348877  1
  Zr  Zr92  1  0.543288  0.956983  0.843992  1
  Zr  Zr93  1  0.874167  0.485055  0.350561  1
  Zr  Zr94  1  0.879440  0.464813  0.859233  1
  Zr  Zr95  1  0.874991  0.984892  0.350857  1
  Zr  Zr96  1  0.880277  0.965139  0.860496  1
  Ni  Ni97  1  0.004110  0.017458  0.014348  1
  Ni  Ni98  1  1.000170  0.034125  0.503554  1
  Ni  Ni99  1  0.002634  0.517057  0.011706  1
  Ni  Ni100  1  0.999941  0.534148  0.503753  1
  Ni  Ni101  1  0.331616  0.985436  0.987170  1
  Ni  Ni102  1  0.333325  0.967305  0.494628  1
  Ni  Ni103  1  0.331356  0.485227  0.987357  1
  Ni  Ni104  1  0.333361  0.466470  0.495045  1
  Ni  Ni105  1  0.667170  0.001216  -0.000452  1
  Ni  Ni106  1  0.667018  1.000383  0.499718  1
  Ni  Ni107  1  0.666805  0.501217  0.999119  1
  Ni  Ni108  1  0.666723  0.500454  0.499445  1
  Ni  Ni109  1  0.021197  0.387853  0.088386  1
  Ni  Ni110  1  0.017757  0.403032  0.582976  1
  Ni  Ni111  1  0.022552  0.888531  0.090569  1
  Ni  Ni112  1  0.017870  0.902989  0.583263  1
  Ni  Ni113  1  0.350757  0.360486  0.067517  1
  Ni  Ni114  1  0.352928  0.342719  0.571793  1
  Ni  Ni115  1  0.351153  0.860761  0.067594  1
  Ni  Ni116  1  0.353689  0.843697  0.572535  1
  Ni  Ni117  1  0.686300  0.373434  0.077944  1
  Ni  Ni118  1  0.687206  0.375234  0.578737  1
  Ni  Ni119  1  0.686800  0.873298  0.078440  1
  Ni  Ni120  1  0.687668  0.875150  0.579158  1
  Ni  Ni121  1  0.313148  0.097423  0.413742  1
  Ni  Ni122  1  0.312738  0.114322  0.910502  1
  Ni  Ni123  1  0.315804  0.597456  0.415953  1
  Ni  Ni124  1  0.312985  0.614489  0.910762  1
  Ni  Ni125  1  0.646494  0.125622  0.420344  1
  Ni  Ni126  1  0.647330  0.128762  0.920583  1
  Ni  Ni127  1  0.646373  0.625783  0.420160  1
  Ni  Ni128  1  0.647277  0.628963  0.920516  1
  Ni  Ni129  1  0.980191  0.157186  0.426323  1
  Ni  Ni130  1  0.983737  0.141159  0.932225  1
  Ni  Ni131  1  0.979808  0.657582  0.426390  1
  Ni  Ni132  1  0.983086  0.641443  0.931631  1
  Ni  Ni133  1  0.063289  0.454959  0.244417  1
  Ni  Ni134  1  0.058451  0.473210  0.740124  1
  Ni  Ni135  1  0.067955  0.958636  0.248532  1
  Ni  Ni136  1  0.058589  0.973277  0.740211  1
  Ni  Ni137  1  0.398998  0.442424  0.229038  1
  Ni  Ni138  1  0.391541  0.409763  0.728035  1
  Ni  Ni139  1  0.398619  0.943375  0.229292  1
  Ni  Ni140  1  0.391840  0.910179  0.728393  1
  Ni  Ni141  1  0.723036  0.444451  0.234801  1
  Ni  Ni142  1  0.738237  0.459790  0.740675  1
  Ni  Ni143  1  0.723416  0.944162  0.235281  1
  Ni  Ni144  1  0.739029  0.959942  0.741409  1
  Ni  Ni145  1  0.282679  0.028250  0.257794  1
  Ni  Ni146  1  0.270374  0.047176  0.754113  1
  Ni  Ni147  1  0.275681  0.528220  0.259083  1
  Ni  Ni148  1  0.270415  0.547187  0.754585  1
  Ni  Ni149  1  0.595930  0.041116  0.258691  1
  Ni  Ni150  1  0.611066  0.058353  0.764027  1
  Ni  Ni151  1  0.595618  0.541020  0.258271  1
  Ni  Ni152  1  0.610603  0.558453  0.763737  1
  Ni  Ni153  1  0.941674  0.090316  0.271003  1
  Ni  Ni154  1  0.935141  0.059354  0.770462  1
  Ni  Ni155  1  0.942014  0.591012  0.270538  1
  Ni  Ni156  1  0.934585  0.559471  0.769741  1
  Ni  Ni157  1  0.245618  0.278651  0.115223  1
  Ni  Ni158  1  0.247099  0.275600  0.617382  1
  Ni  Ni159  1  0.245900  0.779841  0.115711  1
  Ni  Ni160  1  0.247714  0.775675  0.618546  1
  Ni  Ni161  1  0.577911  0.305538  0.119909  1
  Ni  Ni162  1  0.579391  0.300341  0.624036  1
  Ni  Ni163  1  0.578284  0.805274  0.120591  1
  Ni  Ni164  1  0.580167  0.800387  0.624800  1
  Ni  Ni165  1  0.914471  0.323115  0.134829  1
  Ni  Ni166  1  0.911876  0.332949  0.627107  1
  Ni  Ni167  1  0.914887  0.823075  0.135202  1
  Ni  Ni168  1  0.912230  0.832977  0.627672  1
  Ni  Ni169  1  0.085300  0.226150  0.380615  1
  Ni  Ni170  1  0.088000  0.222970  0.883376  1
  Ni  Ni171  1  0.086179  0.724763  0.380814  1
  Ni  Ni172  1  0.088006  0.723089  0.883778  1
  Ni  Ni173  1  0.420494  0.166852  0.370964  1
  Ni  Ni174  1  0.419311  0.178537  0.863462  1
  Ni  Ni175  1  0.421793  0.667542  0.371998  1
  Ni  Ni176  1  0.419600  0.678516  0.864020  1
  Ni  Ni177  1  0.753153  0.201012  0.373974  1
  Ni  Ni178  1  0.755620  0.196834  0.878267  1
  Ni  Ni179  1  0.753772  0.700960  0.374477  1
  Ni  Ni180  1  0.755767  0.696779  0.878386  1
  Ni  Ni181  1  0.245610  0.116034  0.120455  1
  Ni  Ni182  1  0.241918  0.108612  0.615791  1
  Ni  Ni183  1  0.245118  0.616511  0.119235  1
  Ni  Ni184  1  0.242338  0.608584  0.616783  1
  Ni  Ni185  1  0.576864  0.141599  0.124367  1
  Ni  Ni186  1  0.581316  0.138635  0.628950  1
  Ni  Ni187  1  0.576919  0.641544  0.124516  1
  Ni  Ni188  1  0.581618  0.638878  0.629231  1
  Ni  Ni189  1  0.912897  0.159119  0.135658  1
  Ni  Ni190  1  0.911506  0.170256  0.631669  1
  Ni  Ni191  1  0.913044  0.659919  0.135502  1
  Ni  Ni192  1  0.911448  0.670279  0.631889  1
  Ni  Ni193  1  0.020412  0.165052  0.089270  1
  Ni  Ni194  1  0.015448  0.180018  0.583208  1
  Ni  Ni195  1  0.020211  0.665266  0.089113  1
  Ni  Ni196  1  0.015409  0.680106  0.583628  1
  Ni  Ni197  1  0.347467  0.135050  0.067193  1
  Ni  Ni198  1  0.348953  0.114567  0.568778  1
  Ni  Ni199  1  0.347688  0.634628  0.067656  1
  Ni  Ni200  1  0.349494  0.614532  0.569762  1
  Ni  Ni201  1  0.681842  0.149149  0.076353  1
  Ni  Ni202  1  0.684315  0.150869  0.577849  1
  Ni  Ni203  1  0.681951  0.648987  0.076458  1
  Ni  Ni204  1  0.684175  0.650980  0.577705  1
  Ni  Ni205  1  0.317337  0.320347  0.414974  1
  Ni  Ni206  1  0.313792  0.337511  0.910121  1
  Ni  Ni207  1  0.318019  0.821694  0.415593  1
  Ni  Ni208  1  0.314042  0.837346  0.910294  1
  Ni  Ni209  1  0.649250  0.349894  0.421032  1
  Ni  Ni210  1  0.651591  0.353311  0.921838  1
  Ni  Ni211  1  0.649624  0.849961  0.421388  1
  Ni  Ni212  1  0.652252  0.853434  0.922618  1
  Ni  Ni213  1  0.983860  0.386221  0.428879  1
  Ni  Ni214  1  0.986464  0.367476  0.931612  1
  Ni  Ni215  1  0.984230  0.886474  0.429109  1
  Ni  Ni216  1  0.986980  0.868350  0.932680  1
  Ni  Ni217  1  0.182045  0.237444  0.326535  1
  Ni  Ni218  1  0.175468  0.261550  0.817752  1
  Ni  Ni219  1  0.182899  0.741797  0.326691  1
  Ni  Ni220  1  0.175598  0.761054  0.818533  1
  Ni  Ni221  1  0.509397  0.265121  0.323572  1
  Ni  Ni222  1  0.514446  0.282447  0.819962  1
  Ni  Ni223  1  0.510095  0.765267  0.323832  1
  Ni  Ni224  1  0.515217  0.782548  0.820992  1
  Ni  Ni225  1  0.845788  0.308773  0.327801  1
  Ni  Ni226  1  0.846167  0.287912  0.832763  1
  Ni  Ni227  1  0.846273  0.808950  0.328187  1
  Ni  Ni228  1  0.846715  0.788346  0.833490  1
  Ni  Ni229  1  0.158520  0.240844  0.180717  1
  Ni  Ni230  1  0.150748  0.262507  0.671700  1
  Ni  Ni231  1  0.158460  0.740253  0.180926  1
  Ni  Ni232  1  0.150891  0.762467  0.672249  1
  Ni  Ni233  1  0.487461  0.214987  0.165588  1
  Ni  Ni234  1  0.487124  0.192091  0.670082  1
  Ni  Ni235  1  0.487728  0.714344  0.166419  1
  Ni  Ni236  1  0.487605  0.691906  0.670921  1
  Ni  Ni237  1  0.818512  0.219850  0.177511  1
  Ni  Ni238  1  0.823712  0.235506  0.675195  1
  Ni  Ni239  1  0.818817  0.719643  0.177832  1
  Ni  Ni240  1  0.823637  0.735370  0.675422  1
  Ni  Ni241  1  0.174899  0.097302  0.820965  1
  Ni  Ni242  1  0.180381  0.575941  0.325080  1
  Ni  Ni243  1  0.175084  0.597190  0.821228  1
  Ni  Ni244  1  0.504966  0.095918  0.323268  1
  Ni  Ni245  1  0.509117  0.113884  0.815792  1
  Ni  Ni246  1  0.504927  0.596417  0.322028  1
  Ni  Ni247  1  0.509287  0.614028  0.815945  1
  Ni  Ni248  1  0.839686  0.139179  0.321561  1
  Ni  Ni249  1  0.842385  0.116921  0.834187  1
  Ni  Ni250  1  0.839796  0.639568  0.321383  1
  Ni  Ni251  1  0.841917  0.617013  0.833414  1
  Ni  Ni252  1  0.159173  0.404786  0.177764  1
  Ni  Ni253  1  0.153133  0.426238  0.673965  1
  Ni  Ni254  1  0.161481  0.904241  0.176963  1
  Ni  Ni255  1  0.153189  0.926099  0.674110  1
  Ni  Ni256  1  0.491549  0.384712  0.165765  1
  Ni  Ni257  1  0.493317  0.361136  0.677075  1
  Ni  Ni258  1  0.492016  0.884928  0.165834  1
  Ni  Ni259  1  0.493941  0.861512  0.677660  1
  Ni  Ni260  1  0.824467  0.388235  0.182405  1
  Ni  Ni261  1  0.828790  0.404376  0.677101  1
  Ni  Ni262  1  0.825497  0.888376  0.183169  1
  Ni  Ni263  1  0.829277  0.904422  0.677760  1
  Ni  Ni264  1  0.057571  0.132037  0.243492  1
  Ni  Ni265  1  0.050115  0.143249  0.740340  1
  Ni  Ni266  1  0.060502  0.631371  0.244834  1
  Ni  Ni267  1  0.050048  0.643089  0.740736  1
  Ni  Ni268  1  0.388383  0.112864  0.222293  1
  Ni  Ni269  1  0.381300  0.085692  0.720909  1
  Ni  Ni270  1  0.385622  0.610722  0.222504  1
  Ni  Ni271  1  0.381355  0.585442  0.721392  1
  Ni  Ni272  1  0.710224  0.117454  0.229049  1
  Ni  Ni273  1  0.724976  0.129819  0.732244  1
  Ni  Ni274  1  0.710233  0.617203  0.229170  1
  Ni  Ni275  1  0.724356  0.629460  0.731955  1
  Ni  Ni276  1  0.283816  0.357388  0.258516  1
  Ni  Ni277  1  0.273421  0.371129  0.753827  1
  Ni  Ni278  1  0.283928  0.857608  0.259577  1
  Ni  Ni279  1  0.273648  0.871286  0.754127  1
  Ni  Ni280  1  0.609428  0.371416  0.266725  1
  Ni  Ni281  1  0.623315  0.384983  0.769188  1
  Ni  Ni282  1  0.609517  0.871477  0.267098  1
  Ni  Ni283  1  0.623900  0.885146  0.769824  1
  Ni  Ni284  1  0.952138  0.415231  0.277410  1
  Ni  Ni285  1  0.948432  0.391189  0.776595  1
  Ni  Ni286  1  0.954089  0.916135  0.277950  1
  Ni  Ni287  1  0.948959  0.891529  0.777333  1
  Ni  Ni288  1  0.212984  0.011934  0.472420  1
  Ni  Ni289  1  0.211211  0.030019  0.969920  1
  Ni  Ni290  1  0.212779  0.513432  0.470186  1
  Ni  Ni291  1  0.211268  0.530020  0.969618  1
  Ni  Ni292  1  0.548034  0.043655  0.483180  1
  Ni  Ni293  1  0.545948  0.047303  0.979411  1
  Ni  Ni294  1  0.547779  0.543714  0.482771  1
  Ni  Ni295  1  0.545752  0.547357  0.979142  1
  Ni  Ni296  1  0.879468  0.074463  0.487886  1
  Ni  Ni297  1  0.883603  0.062402  0.992604  1
  Ni  Ni298  1  0.879173  0.574601  0.487736  1
  Ni  Ni299  1  0.883020  0.562400  0.991833  1
  Ni  Ni300  1  0.122677  0.472178  0.029292  1
  Ni  Ni301  1  0.120618  0.487789  0.528573  1
  Ni  Ni302  1  0.123358  0.972930  0.031368  1
  Ni  Ni303  1  0.120210  0.987554  0.528691  1
  Ni  Ni304  1  0.450911  0.439700  0.007200  1
  Ni  Ni305  1  0.454062  0.425859  0.511051  1
  Ni  Ni306  1  0.451128  0.939697  0.007171  1
  Ni  Ni307  1  0.454561  0.926287  0.511740  1
  Ni  Ni308  1  0.787854  0.454847  0.019337  1
  Ni  Ni309  1  0.785640  0.457200  0.516029  1
  Ni  Ni310  1  0.788615  0.955084  0.020168  1
  Ni  Ni311  1  0.785994  0.957352  0.516395  1
  Ni  Ni312  1  0.212291  0.340377  0.469454  1
  Ni  Ni313  1  0.211321  0.358697  0.966081  1
  Ni  Ni314  1  0.212676  0.841116  0.468843  1
  Ni  Ni315  1  0.211661  0.858448  0.966185  1
  Ni  Ni316  1  0.549602  0.370580  0.479248  1
  Ni  Ni317  1  0.547695  0.375357  0.973386  1
  Ni  Ni318  1  0.550090  0.870698  0.479814  1
  Ni  Ni319  1  0.548130  0.875257  0.973975  1
  Ni  Ni320  1  0.880464  0.403341  0.479803  1
  Ni  Ni321  1  0.883850  0.388560  0.988371  1
  Ni  Ni322  1  0.880831  0.903475  0.480185  1
  Ni  Ni323  1  0.884707  0.888784  0.989504  1
  Ni  Ni324  1  0.123105  0.142821  0.034580  1
  Ni  Ni325  1  0.120915  0.160163  0.528682  1
  Ni  Ni326  1  0.122462  0.643731  0.032703  1
  Ni  Ni327  1  0.120929  0.660116  0.529073  1
  Ni  Ni328  1  0.450043  0.113921  0.010338  1
  Ni  Ni329  1  0.452220  0.097906  0.518160  1
  Ni  Ni330  1  0.450096  0.613528  0.010648  1
  Ni  Ni331  1  0.452986  0.597344  0.518995  1
  Ni  Ni332  1  0.786201  0.127392  0.025089  1
  Ni  Ni333  1  0.783855  0.130411  0.519717  1
  Ni  Ni334  1  0.786185  0.626998  0.025048  1
  Ni  Ni335  1  0.783750  0.630328  0.519591  1
  Ni  Ni336  1  0.091168  0.393003  0.382097  1
  Ni  Ni337  1  0.088746  0.386003  0.879646  1
  Ni  Ni338  1  0.091218  0.890862  0.383372  1
  Ni  Ni339  1  0.089191  0.886045  0.880716  1
  Ni  Ni340  1  0.421524  0.329821  0.367069  1
  Ni  Ni341  1  0.421066  0.342174  0.863330  1
  Ni  Ni342  1  0.422441  0.830193  0.367897  1
  Ni  Ni343  1  0.421466  0.842200  0.863815  1
  Ni  Ni344  1  0.751820  0.362488  0.369456  1
  Ni  Ni345  1  0.756725  0.360721  0.874058  1
  Ni  Ni346  1  0.752274  0.862531  0.369880  1
  Ni  Ni347  1  0.757486  0.860787  0.874988  1
