# generated using pymatgen
data_Zr95Ni252
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.62966924
_cell_length_b   15.54359265
_cell_length_c   17.58939619
_cell_angle_alpha   93.70174697
_cell_angle_beta   111.73606814
_cell_angle_gamma   104.67480356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr95Ni252
_chemical_formula_sum   'Zr95 Ni252'
_cell_volume   4747.0985448
_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  0.260791  0.444696  0.111433  1
  Zr  Zr2  1  0.270084  0.459807  0.613867  1
  Zr  Zr3  1  0.266616  0.950259  0.114411  1
  Zr  Zr4  1  0.269644  0.959663  0.614065  1
  Zr  Zr5  1  0.606860  0.479961  0.124964  1
  Zr  Zr6  1  0.602558  0.480439  0.618535  1
  Zr  Zr7  1  0.606870  0.979574  0.125279  1
  Zr  Zr8  1  0.602346  0.980581  0.618459  1
  Zr  Zr9  1  0.938424  0.508284  0.126785  1
  Zr  Zr10  1  0.939867  0.498431  0.634953  1
  Zr  Zr11  1  0.937663  0.010110  0.126355  1
  Zr  Zr12  1  0.940082  0.999009  0.635378  1
  Zr  Zr13  1  0.064216  0.042640  0.384825  1
  Zr  Zr14  1  0.067630  0.053655  0.885552  1
  Zr  Zr15  1  0.064415  0.542738  0.384821  1
  Zr  Zr16  1  0.067467  0.552308  0.884661  1
  Zr  Zr17  1  0.394256  0.003284  0.364257  1
  Zr  Zr18  1  0.396474  0.992873  0.872504  1
  Zr  Zr19  1  0.393827  0.503613  0.363695  1
  Zr  Zr20  1  0.396390  0.492319  0.872843  1
  Zr  Zr21  1  0.731668  0.021947  0.380739  1
  Zr  Zr22  1  0.726917  0.022170  0.874012  1
  Zr  Zr23  1  0.731241  0.522320  0.379976  1
  Zr  Zr24  1  0.727422  0.522728  0.873870  1
  Zr  Zr25  1  0.280358  0.212170  0.278423  1
  Zr  Zr26  1  0.286688  0.193602  0.783508  1
  Zr  Zr27  1  0.280357  0.712023  0.278687  1
  Zr  Zr28  1  0.287598  0.693499  0.782967  1
  Zr  Zr29  1  0.618794  0.223571  0.290571  1
  Zr  Zr30  1  0.611127  0.211246  0.790372  1
  Zr  Zr31  1  0.618684  0.724045  0.290243  1
  Zr  Zr32  1  0.610727  0.711107  0.790186  1
  Zr  Zr33  1  0.944118  0.228155  0.300728  1
  Zr  Zr34  1  0.949373  0.257787  0.796763  1
  Zr  Zr35  1  0.945097  0.728298  0.300116  1
  Zr  Zr36  1  0.950165  0.758456  0.800564  1
  Zr  Zr37  1  0.046745  0.308522  0.217444  1
  Zr  Zr38  1  0.054115  0.290764  0.720500  1
  Zr  Zr39  1  0.046175  0.808615  0.214638  1
  Zr  Zr40  1  0.052766  0.790048  0.719816  1
  Zr  Zr41  1  0.385184  0.244008  0.201542  1
  Zr  Zr42  1  0.388868  0.273874  0.698792  1
  Zr  Zr43  1  0.383875  0.742405  0.200350  1
  Zr  Zr44  1  0.389264  0.774081  0.698401  1
  Zr  Zr45  1  0.722541  0.290728  0.208423  1
  Zr  Zr46  1  0.716322  0.279599  0.709515  1
  Zr  Zr47  1  0.723154  0.790659  0.208701  1
  Zr  Zr48  1  0.715153  0.778964  0.708483  1
  Zr  Zr49  1  0.098918  0.299005  0.526334  1
  Zr  Zr50  1  0.095864  0.814666  0.020342  1
  Zr  Zr51  1  0.098987  0.799189  0.526330  1
  Zr  Zr52  1  0.431961  0.255294  0.016151  1
  Zr  Zr53  1  0.427577  0.268668  0.509443  1
  Zr  Zr54  1  0.432237  0.754848  0.016587  1
  Zr  Zr55  1  0.427256  0.768569  0.509084  1
  Zr  Zr56  1  0.763560  0.286675  0.019671  1
  Zr  Zr57  1  0.765739  0.283507  0.523809  1
  Zr  Zr58  1  0.763809  0.786641  0.019283  1
  Zr  Zr59  1  0.765402  0.783516  0.523616  1
  Zr  Zr60  1  0.234875  0.203056  0.472503  1
  Zr  Zr61  1  0.236709  0.187087  0.978241  1
  Zr  Zr62  1  0.234941  0.703155  0.472421  1
  Zr  Zr63  1  0.237876  0.687857  0.978276  1
  Zr  Zr64  1  0.568610  0.219282  0.475463  1
  Zr  Zr65  1  0.570232  0.215364  0.979541  1
  Zr  Zr66  1  0.568218  0.719071  0.474999  1
  Zr  Zr67  1  0.570297  0.715335  0.979574  1
  Zr  Zr68  1  0.906760  0.233798  0.489895  1
  Zr  Zr69  1  0.901273  0.246397  0.983059  1
  Zr  Zr70  1  0.906484  0.733877  0.489424  1
  Zr  Zr71  1  0.902520  0.747057  0.982683  1
  Zr  Zr72  1  0.122464  0.084513  0.155889  1
  Zr  Zr73  1  0.125881  0.063247  0.661263  1
  Zr  Zr74  1  0.122673  0.583667  0.156078  1
  Zr  Zr75  1  0.125863  0.562945  0.660871  1
  Zr  Zr76  1  0.459733  0.016005  0.148588  1
  Zr  Zr77  1  0.454436  0.037671  0.639777  1
  Zr  Zr78  1  0.458439  0.515619  0.147836  1
  Zr  Zr79  1  0.454702  0.537418  0.639516  1
  Zr  Zr80  1  0.792385  0.056287  0.150151  1
  Zr  Zr81  1  0.790874  0.045526  0.655502  1
  Zr  Zr82  1  0.792642  0.556457  0.149996  1
  Zr  Zr83  1  0.790630  0.545573  0.654547  1
  Zr  Zr84  1  0.207847  0.438965  0.338005  1
  Zr  Zr85  1  0.211855  0.419393  0.842155  1
  Zr  Zr86  1  0.207866  0.939446  0.337880  1
  Zr  Zr87  1  0.211562  0.918661  0.842256  1
  Zr  Zr88  1  0.542600  0.457247  0.343215  1
  Zr  Zr89  1  0.541671  0.445589  0.848856  1
  Zr  Zr90  1  0.543107  0.957192  0.344014  1
  Zr  Zr91  1  0.541435  0.945633  0.848946  1
  Zr  Zr92  1  0.879623  0.464941  0.358969  1
  Zr  Zr93  1  0.875191  0.484845  0.851280  1
  Zr  Zr94  1  0.879529  0.964624  0.359376  1
  Zr  Zr95  1  0.874566  0.986533  0.850821  1
  Ni  Ni96  1  0.000718  0.038242  0.003807  1
  Ni  Ni97  1  0.002681  0.016874  0.511612  1
  Ni  Ni98  1  0.001241  0.530397  0.003603  1
  Ni  Ni99  1  0.002620  0.517117  0.511641  1
  Ni  Ni100  1  0.334002  0.967939  0.995608  1
  Ni  Ni101  1  0.331230  0.985434  0.487277  1
  Ni  Ni102  1  0.332385  0.466388  0.995708  1
  Ni  Ni103  1  0.331407  0.485134  0.487204  1
  Ni  Ni104  1  0.666870  1.000829  -0.000437  1
  Ni  Ni105  1  0.667114  0.001479  0.499743  1
  Ni  Ni106  1  0.667177  0.501329  0.999476  1
  Ni  Ni107  1  0.666815  0.501545  0.498969  1
  Ni  Ni108  1  0.018845  0.400249  0.083325  1
  Ni  Ni109  1  0.021221  0.387934  0.588327  1
  Ni  Ni110  1  0.018291  0.905714  0.082732  1
  Ni  Ni111  1  0.021089  0.887809  0.588285  1
  Ni  Ni112  1  0.352515  0.343327  0.072315  1
  Ni  Ni113  1  0.351074  0.360660  0.567630  1
  Ni  Ni114  1  0.353840  0.844290  0.072778  1
  Ni  Ni115  1  0.350779  0.860930  0.567387  1
  Ni  Ni116  1  0.687500  0.375954  0.078835  1
  Ni  Ni117  1  0.686836  0.373694  0.578423  1
  Ni  Ni118  1  0.687360  0.875412  0.078878  1
  Ni  Ni119  1  0.686485  0.873471  0.578246  1
  Ni  Ni120  1  0.312757  0.114623  0.410560  1
  Ni  Ni121  1  0.316087  0.098430  0.916027  1
  Ni  Ni122  1  0.312976  0.614783  0.410805  1
  Ni  Ni123  1  0.315843  0.598205  0.915947  1
  Ni  Ni124  1  0.647491  0.129043  0.420917  1
  Ni  Ni125  1  0.646422  0.126211  0.920205  1
  Ni  Ni126  1  0.647066  0.629370  0.420341  1
  Ni  Ni127  1  0.646698  0.626507  0.920120  1
  Ni  Ni128  1  0.983145  0.141325  0.431450  1
  Ni  Ni129  1  0.979039  0.160889  0.926183  1
  Ni  Ni130  1  0.983086  0.641568  0.431343  1
  Ni  Ni131  1  0.980846  0.655376  0.926963  1
  Ni  Ni132  1  0.059226  0.473116  0.239566  1
  Ni  Ni133  1  0.063421  0.455011  0.744833  1
  Ni  Ni134  1  0.058418  0.973030  0.240110  1
  Ni  Ni135  1  0.063610  0.954716  0.744421  1
  Ni  Ni136  1  0.389559  0.409784  0.227058  1
  Ni  Ni137  1  0.399866  0.443389  0.729316  1
  Ni  Ni138  1  0.391519  0.909591  0.228285  1
  Ni  Ni139  1  0.399241  0.942888  0.729189  1
  Ni  Ni140  1  0.738449  0.460502  0.240699  1
  Ni  Ni141  1  0.723698  0.444737  0.735221  1
  Ni  Ni142  1  0.738442  0.960288  0.240899  1
  Ni  Ni143  1  0.722642  0.943920  0.734933  1
  Ni  Ni144  1  0.270660  0.047242  0.254548  1
  Ni  Ni145  1  0.275653  0.029104  0.758974  1
  Ni  Ni146  1  0.269261  0.546354  0.253683  1
  Ni  Ni147  1  0.276558  0.529389  0.758724  1
  Ni  Ni148  1  0.611363  0.058605  0.264306  1
  Ni  Ni149  1  0.595352  0.041345  0.758300  1
  Ni  Ni150  1  0.610673  0.558858  0.263663  1
  Ni  Ni151  1  0.595722  0.541683  0.758290  1
  Ni  Ni152  1  0.934222  0.058891  0.269997  1
  Ni  Ni153  1  0.942626  0.092282  0.771603  1
  Ni  Ni154  1  0.934739  0.559452  0.269512  1
  Ni  Ni155  1  0.941772  0.592000  0.770180  1
  Ni  Ni156  1  0.250805  0.275141  0.121481  1
  Ni  Ni157  1  0.245666  0.279170  0.615242  1
  Ni  Ni158  1  0.247922  0.776383  0.118617  1
  Ni  Ni159  1  0.245914  0.779308  0.615386  1
  Ni  Ni160  1  0.579931  0.300806  0.124433  1
  Ni  Ni161  1  0.578647  0.305551  0.620798  1
  Ni  Ni162  1  0.580080  0.800642  0.124917  1
  Ni  Ni163  1  0.578066  0.805624  0.620229  1
  Ni  Ni164  1  0.912455  0.332740  0.127160  1
  Ni  Ni165  1  0.915162  0.323690  0.635854  1
  Ni  Ni166  1  0.912206  0.833877  0.126742  1
  Ni  Ni167  1  0.914479  0.823815  0.635115  1
  Ni  Ni168  1  0.088213  0.223059  0.383442  1
  Ni  Ni169  1  0.084794  0.228613  0.882807  1
  Ni  Ni170  1  0.088092  0.723013  0.383551  1
  Ni  Ni171  1  0.086244  0.726326  0.880235  1
  Ni  Ni172  1  0.419442  0.178483  0.364007  1
  Ni  Ni173  1  0.421607  0.168818  0.871541  1
  Ni  Ni174  1  0.418907  0.678091  0.362879  1
  Ni  Ni175  1  0.421701  0.668250  0.871901  1
  Ni  Ni176  1  0.755804  0.196926  0.378621  1
  Ni  Ni177  1  0.754069  0.201346  0.874733  1
  Ni  Ni178  1  0.755707  0.697017  0.378392  1
  Ni  Ni179  1  0.754095  0.701778  0.874145  1
  Ni  Ni180  1  0.241075  0.109559  0.115769  1
  Ni  Ni181  1  0.245178  0.116461  0.619512  1
  Ni  Ni182  1  0.241478  0.606652  0.115754  1
  Ni  Ni183  1  0.245233  0.616378  0.619289  1
  Ni  Ni184  1  0.581742  0.139033  0.129445  1
  Ni  Ni185  1  0.576979  0.141970  0.624547  1
  Ni  Ni186  1  0.581711  0.639179  0.129169  1
  Ni  Ni187  1  0.576947  0.641684  0.624286  1
  Ni  Ni188  1  0.911633  0.171255  0.131897  1
  Ni  Ni189  1  0.913122  0.160028  0.635843  1
  Ni  Ni190  1  0.911809  0.670212  0.131308  1
  Ni  Ni191  1  0.912625  0.660176  0.635196  1
  Ni  Ni192  1  0.015201  0.182619  0.084282  1
  Ni  Ni193  1  0.020274  0.164935  0.588746  1
  Ni  Ni194  1  0.015769  0.677756  0.082687  1
  Ni  Ni195  1  0.020016  0.664938  0.588596  1
  Ni  Ni196  1  0.349129  0.116184  0.070148  1
  Ni  Ni197  1  0.347555  0.134956  0.567506  1
  Ni  Ni198  1  0.349000  0.613839  0.069679  1
  Ni  Ni199  1  0.347631  0.634669  0.567395  1
  Ni  Ni200  1  0.684212  0.151302  0.077708  1
  Ni  Ni201  1  0.682147  0.149531  0.576866  1
  Ni  Ni202  1  0.684517  0.651638  0.077611  1
  Ni  Ni203  1  0.681941  0.649298  0.576392  1
  Ni  Ni204  1  0.313689  0.337024  0.409961  1
  Ni  Ni205  1  0.317173  0.321492  0.915969  1
  Ni  Ni206  1  0.313712  0.837534  0.410112  1
  Ni  Ni207  1  0.318433  0.821883  0.915732  1
  Ni  Ni208  1  0.652248  0.353668  0.422553  1
  Ni  Ni209  1  0.649847  0.350641  0.921252  1
  Ni  Ni210  1  0.652036  0.853612  0.422527  1
  Ni  Ni211  1  0.649392  0.850239  0.921159  1
  Ni  Ni212  1  0.986415  0.367763  0.431401  1
  Ni  Ni213  1  0.985824  0.381761  0.929638  1
  Ni  Ni214  1  0.986417  0.867486  0.431358  1
  Ni  Ni215  1  0.984579  0.890147  0.929601  1
  Ni  Ni216  1  0.175332  0.261520  0.316968  1
  Ni  Ni217  1  0.181587  0.240207  0.828515  1
  Ni  Ni218  1  0.175312  0.761422  0.317976  1
  Ni  Ni219  1  0.183029  0.739689  0.826742  1
  Ni  Ni220  1  0.515675  0.282631  0.321576  1
  Ni  Ni221  1  0.510329  0.266286  0.823812  1
  Ni  Ni222  1  0.515203  0.783139  0.320782  1
  Ni  Ni223  1  0.509880  0.765767  0.823669  1
  Ni  Ni224  1  0.845977  0.288076  0.332929  1
  Ni  Ni225  1  0.847649  0.309232  0.829647  1
  Ni  Ni226  1  0.846344  0.787620  0.332543  1
  Ni  Ni227  1  0.846364  0.810184  0.828046  1
  Ni  Ni228  1  0.150206  0.265192  0.170193  1
  Ni  Ni229  1  0.158807  0.241103  0.681607  1
  Ni  Ni230  1  0.150752  0.763542  0.171742  1
  Ni  Ni231  1  0.158377  0.740951  0.680645  1
  Ni  Ni232  1  0.487774  0.192420  0.170930  1
  Ni  Ni233  1  0.487702  0.214637  0.666272  1
  Ni  Ni234  1  0.487335  0.691423  0.170982  1
  Ni  Ni235  1  0.487785  0.714578  0.665965  1
  Ni  Ni236  1  0.823402  0.236033  0.175361  1
  Ni  Ni237  1  0.819106  0.220003  0.678661  1
  Ni  Ni238  1  0.824102  0.736041  0.174963  1
  Ni  Ni239  1  0.819302  0.720071  0.678443  1
  Ni  Ni240  1  0.174811  0.097603  0.320461  1
  Ni  Ni241  1  0.180562  0.075816  0.825402  1
  Ni  Ni242  1  0.175036  0.596994  0.320528  1
  Ni  Ni243  1  0.180589  0.576272  0.824634  1
  Ni  Ni244  1  0.509484  0.114153  0.316361  1
  Ni  Ni245  1  0.504969  0.097308  0.821905  1
  Ni  Ni246  1  0.508331  0.614360  0.314824  1
  Ni  Ni247  1  0.505141  0.597011  0.822376  1
  Ni  Ni248  1  0.841931  0.116919  0.333902  1
  Ni  Ni249  1  0.839938  0.140873  0.821321  1
  Ni  Ni250  1  0.842062  0.617172  0.333323  1
  Ni  Ni251  1  0.840193  0.639671  0.821531  1
  Ni  Ni252  1  0.152483  0.426472  0.174832  1
  Ni  Ni253  1  0.159662  0.405408  0.677143  1
  Ni  Ni254  1  0.153290  0.926569  0.173921  1
  Ni  Ni255  1  0.158975  0.905017  0.677762  1
  Ni  Ni256  1  0.493898  0.361890  0.177451  1
  Ni  Ni257  1  0.492157  0.385036  0.665755  1
  Ni  Ni258  1  0.493453  0.860672  0.177991  1
  Ni  Ni259  1  0.491837  0.885315  0.665169  1
  Ni  Ni260  1  0.828867  0.404859  0.177496  1
  Ni  Ni261  1  0.825154  0.388841  0.682636  1
  Ni  Ni262  1  0.828907  0.904810  0.176825  1
  Ni  Ni263  1  0.824720  0.888460  0.683006  1
  Ni  Ni264  1  0.049646  0.142979  0.240579  1
  Ni  Ni265  1  0.060448  0.131401  0.746011  1
  Ni  Ni266  1  0.050087  0.643372  0.240531  1
  Ni  Ni267  1  0.060110  0.631324  0.744428  1
  Ni  Ni268  1  0.381665  0.085375  0.221589  1
  Ni  Ni269  1  0.385523  0.111092  0.722424  1
  Ni  Ni270  1  0.378924  0.582343  0.219550  1
  Ni  Ni271  1  0.386329  0.611535  0.722468  1
  Ni  Ni272  1  0.724843  0.130313  0.232177  1
  Ni  Ni273  1  0.709582  0.117066  0.729151  1
  Ni  Ni274  1  0.724694  0.630113  0.231915  1
  Ni  Ni275  1  0.710387  0.617504  0.729157  1
  Ni  Ni276  1  0.272979  0.371599  0.254286  1
  Ni  Ni277  1  0.284697  0.359298  0.757798  1
  Ni  Ni278  1  0.273623  0.871482  0.254118  1
  Ni  Ni279  1  0.283963  0.858889  0.758436  1
  Ni  Ni280  1  0.623565  0.385121  0.269623  1
  Ni  Ni281  1  0.609911  0.372190  0.767138  1
  Ni  Ni282  1  0.623602  0.885573  0.269775  1
  Ni  Ni283  1  0.608937  0.871691  0.766818  1
  Ni  Ni284  1  0.949117  0.391477  0.276153  1
  Ni  Ni285  1  0.953027  0.415641  0.778995  1
  Ni  Ni286  1  0.948234  0.891022  0.276318  1
  Ni  Ni287  1  0.952752  0.916520  0.777732  1
  Ni  Ni288  1  0.211183  0.029978  0.469614  1
  Ni  Ni289  1  0.213189  0.013642  0.970186  1
  Ni  Ni290  1  0.211370  0.529964  0.469652  1
  Ni  Ni291  1  0.213201  0.516226  0.969311  1
  Ni  Ni292  1  0.545941  0.047741  0.479410  1
  Ni  Ni293  1  0.547982  0.044137  0.983070  1
  Ni  Ni294  1  0.545642  0.547333  0.478915  1
  Ni  Ni295  1  0.547968  0.544254  0.982743  1
  Ni  Ni296  1  0.883162  0.062544  0.491881  1
  Ni  Ni297  1  0.879507  0.075916  0.987806  1
  Ni  Ni298  1  0.882961  0.562532  0.491723  1
  Ni  Ni299  1  0.880277  0.573882  0.988056  1
  Ni  Ni300  1  0.120841  0.481404  0.028423  1
  Ni  Ni301  1  0.122810  0.472350  0.529353  1
  Ni  Ni302  1  0.120647  0.989585  0.028343  1
  Ni  Ni303  1  0.122715  0.972400  0.529357  1
  Ni  Ni304  1  0.454465  0.426768  0.011385  1
  Ni  Ni305  1  0.450906  0.439803  0.506989  1
  Ni  Ni306  1  0.454529  0.926893  0.011399  1
  Ni  Ni307  1  0.450919  0.939855  0.507195  1
  Ni  Ni308  1  0.786002  0.458033  0.016027  1
  Ni  Ni309  1  0.788049  0.455233  0.519420  1
  Ni  Ni310  1  0.785516  0.957352  0.016153  1
  Ni  Ni311  1  0.788281  0.955167  0.520136  1
  Ni  Ni312  1  0.211576  0.358467  0.466497  1
  Ni  Ni313  1  0.210058  0.341162  0.970223  1
  Ni  Ni314  1  0.211410  0.858745  0.466231  1
  Ni  Ni315  1  0.212903  0.841753  0.969818  1
  Ni  Ni316  1  0.548234  0.375563  0.473943  1
  Ni  Ni317  1  0.550148  0.371226  0.979341  1
  Ni  Ni318  1  0.547790  0.875602  0.473753  1
  Ni  Ni319  1  0.550013  0.870988  0.979669  1
  Ni  Ni320  1  0.883912  0.388606  0.488311  1
  Ni  Ni321  1  0.882048  0.402585  0.980570  1
  Ni  Ni322  1  0.884011  0.888861  0.488770  1
  Ni  Ni323  1  0.881023  0.904894  0.979787  1
  Ni  Ni324  1  0.119557  0.170904  0.029057  1
  Ni  Ni325  1  0.122517  0.143581  0.532787  1
  Ni  Ni326  1  0.121566  0.658897  0.029243  1
  Ni  Ni327  1  0.122521  0.643681  0.532604  1
  Ni  Ni328  1  0.453133  0.098319  0.019457  1
  Ni  Ni329  1  0.450023  0.113772  0.510581  1
  Ni  Ni330  1  0.452997  0.597678  0.019263  1
  Ni  Ni331  1  0.449950  0.613615  0.510146  1
  Ni  Ni332  1  0.784059  0.130884  0.019717  1
  Ni  Ni333  1  0.786377  0.127190  0.525583  1
  Ni  Ni334  1  0.784338  0.631163  0.019103  1
  Ni  Ni335  1  0.785951  0.627383  0.524814  1
  Ni  Ni336  1  0.088940  0.385831  0.379885  1
  Ni  Ni337  1  0.092233  0.393474  0.882403  1
  Ni  Ni338  1  0.088656  0.885689  0.379295  1
  Ni  Ni339  1  0.091523  0.893358  0.882087  1
  Ni  Ni340  1  0.421801  0.342519  0.364114  1
  Ni  Ni341  1  0.422095  0.331236  0.867628  1
  Ni  Ni342  1  0.421070  0.841742  0.363504  1
  Ni  Ni343  1  0.422463  0.831310  0.867526  1
  Ni  Ni344  1  0.757009  0.361169  0.374314  1
  Ni  Ni345  1  0.753127  0.363180  0.870389  1
  Ni  Ni346  1  0.757127  0.860716  0.374619  1
  Ni  Ni347  1  0.752123  0.863047  0.869587  1
