# generated using pymatgen
data_Zr95Ni252
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.62949673
_cell_length_b   15.54151742
_cell_length_c   17.58946996
_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   4746.44295154
_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  0.272307  0.501125  0.133311  1
  Zr  Zr2  1  0.270896  0.509814  0.627252  1
  Zr  Zr3  1  0.272586  1.000421  0.134980  1
  Zr  Zr4  1  0.270635  0.009699  0.626280  1
  Zr  Zr5  1  0.596543  0.444155  0.113801  1
  Zr  Zr6  1  0.605144  0.462654  0.615847  1
  Zr  Zr7  1  0.598609  0.944990  0.113181  1
  Zr  Zr8  1  0.605266  0.962621  0.615832  1
  Zr  Zr9  1  0.936030  0.470959  0.124563  1
  Zr  Zr10  1  0.938036  0.495973  0.616580  1
  Zr  Zr11  1  0.937519  0.972549  0.125058  1
  Zr  Zr12  1  0.938227  0.995854  0.616983  1
  Zr  Zr13  1  0.066370  0.032435  0.375043  1
  Zr  Zr14  1  0.061951  0.006768  0.881213  1
  Zr  Zr15  1  0.065104  0.531483  0.374336  1
  Zr  Zr16  1  0.061859  0.507282  0.881151  1
  Zr  Zr17  1  0.401223  0.058113  0.383318  1
  Zr  Zr18  1  0.395446  0.039567  0.882389  1
  Zr  Zr19  1  0.400055  0.554671  0.383218  1
  Zr  Zr20  1  0.395629  0.539661  0.883045  1
  Zr  Zr21  1  0.728566  0.002243  0.365602  1
  Zr  Zr22  1  0.730293  0.992010  0.872171  1
  Zr  Zr23  1  0.727493  0.501754  0.365586  1
  Zr  Zr24  1  0.729466  0.491755  0.872139  1
  Zr  Zr25  1  0.276657  0.229125  0.800746  1
  Zr  Zr26  1  0.285498  0.760176  0.300424  1
  Zr  Zr27  1  0.277855  0.729700  0.800569  1
  Zr  Zr28  1  0.614230  0.206652  0.281024  1
  Zr  Zr29  1  0.617757  0.197661  0.780704  1
  Zr  Zr30  1  0.615454  0.705957  0.280665  1
  Zr  Zr31  1  0.617647  0.697633  0.780422  1
  Zr  Zr32  1  0.949761  0.237170  0.287548  1
  Zr  Zr33  1  0.949368  0.204617  0.792950  1
  Zr  Zr34  1  0.948777  0.736896  0.287978  1
  Zr  Zr35  1  0.949389  0.704546  0.792614  1
  Zr  Zr36  1  0.056418  0.266632  0.212003  1
  Zr  Zr37  1  0.050262  0.298281  0.705886  1
  Zr  Zr38  1  0.052073  0.767603  0.210745  1
  Zr  Zr39  1  0.050415  0.798155  0.706165  1
  Zr  Zr40  1  0.366656  0.289088  0.228009  1
  Zr  Zr41  1  0.383396  0.303412  0.720248  1
  Zr  Zr42  1  0.384646  0.796741  0.217261  1
  Zr  Zr43  1  0.383386  0.803587  0.717797  1
  Zr  Zr44  1  0.714918  0.240849  0.199921  1
  Zr  Zr45  1  0.723634  0.273560  0.698608  1
  Zr  Zr46  1  0.715850  0.741441  0.199749  1
  Zr  Zr47  1  0.723601  0.773815  0.698487  1
  Zr  Zr48  1  0.098625  0.272920  0.025326  1
  Zr  Zr49  1  0.098043  0.297502  0.519189  1
  Zr  Zr50  1  0.098353  0.772980  0.024144  1
  Zr  Zr51  1  0.098613  0.797445  0.518796  1
  Zr  Zr52  1  0.428051  0.300812  0.021691  1
  Zr  Zr53  1  0.434399  0.314670  0.527132  1
  Zr  Zr54  1  0.428437  0.800953  0.020939  1
  Zr  Zr55  1  0.432885  0.813941  0.525184  1
  Zr  Zr56  1  0.763003  0.251784  0.015470  1
  Zr  Zr57  1  0.764103  0.269710  0.511857  1
  Zr  Zr58  1  0.762957  0.751668  0.015368  1
  Zr  Zr59  1  0.764426  0.769600  0.512025  1
  Zr  Zr60  1  0.238372  0.249912  0.486433  1
  Zr  Zr61  1  0.235354  0.232987  0.985501  1
  Zr  Zr62  1  0.238544  0.749601  0.483065  1
  Zr  Zr63  1  0.235972  0.733089  0.985534  1
  Zr  Zr64  1  0.570853  0.201342  0.477064  1
  Zr  Zr65  1  0.567164  0.185972  0.974066  1
  Zr  Zr66  1  0.571706  0.701586  0.476791  1
  Zr  Zr67  1  0.567165  0.686768  0.972676  1
  Zr  Zr68  1  0.902003  0.230008  0.474031  1
  Zr  Zr69  1  0.903803  0.205607  0.981458  1
  Zr  Zr70  1  0.901970  0.730032  0.473886  1
  Zr  Zr71  1  0.902184  0.705617  0.979809  1
  Zr  Zr72  1  0.128373  0.040418  0.156097  1
  Zr  Zr73  1  0.123492  0.064855  0.650215  1
  Zr  Zr74  1  0.125399  0.539162  0.154695  1
  Zr  Zr75  1  0.123434  0.565382  0.650310  1
  Zr  Zr76  1  0.457428  0.072079  0.156242  1
  Zr  Zr77  1  0.457417  0.076627  0.659266  1
  Zr  Zr78  1  0.456555  0.569112  0.156568  1
  Zr  Zr79  1  0.457439  0.576953  0.659454  1
  Zr  Zr80  1  0.789922  0.013078  0.146638  1
  Zr  Zr81  1  0.793734  0.040282  0.643807  1
  Zr  Zr82  1  0.788255  0.512139  0.146703  1
  Zr  Zr83  1  0.793527  0.540078  0.643922  1
  Zr  Zr84  1  0.212907  0.487412  0.350803  1
  Zr  Zr85  1  0.206577  0.463210  0.854039  1
  Zr  Zr86  1  0.213273  0.991264  0.350090  1
  Zr  Zr87  1  0.206956  0.962604  0.854406  1
  Zr  Zr88  1  0.541569  0.430968  0.341545  1
  Zr  Zr89  1  0.543217  0.423791  0.840124  1
  Zr  Zr90  1  0.543768  0.932370  0.342114  1
  Zr  Zr91  1  0.543813  0.924354  0.839459  1
  Zr  Zr92  1  0.873753  0.464509  0.343196  1
  Zr  Zr93  1  0.876637  0.437769  0.848690  1
  Zr  Zr94  1  0.874979  0.965156  0.343392  1
  Zr  Zr95  1  0.877439  0.938373  0.849838  1
  Ni  Ni96  1  0.001271  0.988699  0.005688  1
  Ni  Ni97  1  0.001350  0.016090  0.494794  1
  Ni  Ni98  1  0.999260  0.487066  0.003542  1
  Ni  Ni99  1  0.001048  0.516083  0.494269  1
  Ni  Ni100  1  0.332747  0.019061  0.009062  1
  Ni  Ni101  1  0.336583  0.036524  0.506739  1
  Ni  Ni102  1  0.332665  0.517557  0.007811  1
  Ni  Ni103  1  0.336353  0.532124  0.505657  1
  Ni  Ni104  1  0.664626  0.965944  0.992387  1
  Ni  Ni105  1  0.668056  0.984996  0.490843  1
  Ni  Ni106  1  0.663559  0.465189  0.992972  1
  Ni  Ni107  1  0.667492  0.484776  0.490564  1
  Ni  Ni108  1  0.020627  0.361528  0.081720  1
  Ni  Ni109  1  0.019740  0.388187  0.574857  1
  Ni  Ni110  1  0.021179  0.861499  0.081568  1
  Ni  Ni111  1  0.019974  0.887673  0.575176  1
  Ni  Ni112  1  0.350363  0.386216  0.086460  1
  Ni  Ni113  1  0.354219  0.402413  0.586386  1
  Ni  Ni114  1  0.351209  0.889402  0.084857  1
  Ni  Ni115  1  0.353796  0.903071  0.584663  1
  Ni  Ni116  1  0.682390  0.340591  0.070697  1
  Ni  Ni117  1  0.687700  0.362604  0.570508  1
  Ni  Ni118  1  0.683752  0.841676  0.070204  1
  Ni  Ni119  1  0.688021  0.862836  0.570504  1
  Ni  Ni120  1  0.318222  0.162796  0.431191  1
  Ni  Ni121  1  0.312494  0.139464  0.927909  1
  Ni  Ni122  1  0.317450  0.657349  0.428183  1
  Ni  Ni123  1  0.312628  0.639659  0.927965  1
  Ni  Ni124  1  0.649380  0.114166  0.413749  1
  Ni  Ni125  1  0.647132  0.098703  0.913721  1
  Ni  Ni126  1  0.649386  0.613904  0.413442  1
  Ni  Ni127  1  0.646820  0.598255  0.913829  1
  Ni  Ni128  1  0.979673  0.142070  0.417405  1
  Ni  Ni129  1  0.980690  0.115320  0.924213  1
  Ni  Ni130  1  0.979838  0.642057  0.417131  1
  Ni  Ni131  1  0.980150  0.614992  0.923456  1
  Ni  Ni132  1  0.062537  0.433507  0.237345  1
  Ni  Ni133  1  0.058563  0.465822  0.733969  1
  Ni  Ni134  1  0.063866  0.936137  0.237513  1
  Ni  Ni135  1  0.059033  0.965689  0.734266  1
  Ni  Ni136  1  0.397974  0.463692  0.242956  1
  Ni  Ni137  1  0.387945  0.464968  0.739860  1
  Ni  Ni138  1  0.400279  0.963475  0.242959  1
  Ni  Ni139  1  0.387591  0.964733  0.738953  1
  Ni  Ni140  1  0.721112  0.407191  0.227493  1
  Ni  Ni141  1  0.733584  0.441421  0.730269  1
  Ni  Ni142  1  0.723315  0.908201  0.227722  1
  Ni  Ni143  1  0.734508  0.941986  0.730463  1
  Ni  Ni144  1  0.280138  0.119438  0.273619  1
  Ni  Ni145  1  0.266584  0.061354  0.768037  1
  Ni  Ni146  1  0.276983  0.594726  0.269964  1
  Ni  Ni147  1  0.266928  0.561801  0.768338  1
  Ni  Ni148  1  0.601768  0.040118  0.255558  1
  Ni  Ni149  1  0.613217  0.036335  0.759329  1
  Ni  Ni150  1  0.600033  0.537702  0.254772  1
  Ni  Ni151  1  0.612594  0.536090  0.759418  1
  Ni  Ni152  1  0.940708  0.069716  0.262218  1
  Ni  Ni153  1  0.940828  0.037142  0.764461  1
  Ni  Ni154  1  0.938575  0.568799  0.261706  1
  Ni  Ni155  1  0.940708  0.536752  0.764126  1
  Ni  Ni156  1  0.242487  0.325968  0.127410  1
  Ni  Ni157  1  0.247791  0.334674  0.629299  1
  Ni  Ni158  1  0.245898  0.823620  0.132410  1
  Ni  Ni159  1  0.247609  0.834329  0.628258  1
  Ni  Ni160  1  0.576060  0.269658  0.118926  1
  Ni  Ni161  1  0.580934  0.283469  0.616481  1
  Ni  Ni162  1  0.579149  0.770753  0.117207  1
  Ni  Ni163  1  0.580721  0.783701  0.615438  1
  Ni  Ni164  1  0.912758  0.297163  0.127346  1
  Ni  Ni165  1  0.912891  0.319018  0.618100  1
  Ni  Ni166  1  0.912383  0.797505  0.126606  1
  Ni  Ni167  1  0.913010  0.818857  0.618199  1
  Ni  Ni168  1  0.089529  0.206243  0.373192  1
  Ni  Ni169  1  0.086333  0.184390  0.879366  1
  Ni  Ni170  1  0.088415  0.706113  0.371983  1
  Ni  Ni171  1  0.087091  0.684222  0.880173  1
  Ni  Ni172  1  0.417388  0.232772  0.380550  1
  Ni  Ni173  1  0.419185  0.217902  0.883240  1
  Ni  Ni174  1  0.422126  0.731389  0.381463  1
  Ni  Ni175  1  0.419693  0.718443  0.882388  1
  Ni  Ni176  1  0.753766  0.177570  0.364608  1
  Ni  Ni177  1  0.753808  0.167495  0.870854  1
  Ni  Ni178  1  0.754223  0.677618  0.364889  1
  Ni  Ni179  1  0.752987  0.667020  0.870133  1
  Ni  Ni180  1  0.243288  0.159610  0.128530  1
  Ni  Ni181  1  0.245136  0.170876  0.632433  1
  Ni  Ni182  1  0.245979  0.662311  0.133905  1
  Ni  Ni183  1  0.245116  0.670852  0.631939  1
  Ni  Ni184  1  0.575188  0.104085  0.116366  1
  Ni  Ni185  1  0.579921  0.118896  0.620026  1
  Ni  Ni186  1  0.574694  0.604915  0.116591  1
  Ni  Ni187  1  0.579805  0.619485  0.619760  1
  Ni  Ni188  1  0.913192  0.134553  0.127677  1
  Ni  Ni189  1  0.912454  0.157100  0.622859  1
  Ni  Ni190  1  0.911226  0.633533  0.126893  1
  Ni  Ni191  1  0.912437  0.656914  0.622623  1
  Ni  Ni192  1  0.021675  0.138814  0.082701  1
  Ni  Ni193  1  0.017169  0.164200  0.575452  1
  Ni  Ni194  1  0.016012  0.636704  0.078262  1
  Ni  Ni195  1  0.017376  0.664530  0.575270  1
  Ni  Ni196  1  0.349150  0.169529  0.086112  1
  Ni  Ni197  1  0.352690  0.180841  0.587857  1
  Ni  Ni198  1  0.349403  0.665968  0.084126  1
  Ni  Ni199  1  0.352196  0.678744  0.585803  1
  Ni  Ni200  1  0.679949  0.112565  0.067793  1
  Ni  Ni201  1  0.685170  0.134446  0.570683  1
  Ni  Ni202  1  0.678861  0.612385  0.067825  1
  Ni  Ni203  1  0.685036  0.634230  0.570474  1
  Ni  Ni204  1  0.322463  0.381340  0.430841  1
  Ni  Ni205  1  0.315183  0.369141  0.927897  1
  Ni  Ni206  1  0.321681  0.890910  0.430582  1
  Ni  Ni207  1  0.315563  0.869517  0.928132  1
  Ni  Ni208  1  0.649291  0.335695  0.414120  1
  Ni  Ni209  1  0.648102  0.320476  0.913041  1
  Ni  Ni210  1  0.651072  0.836453  0.414161  1
  Ni  Ni211  1  0.648757  0.821054  0.912323  1
  Ni  Ni212  1  0.984730  0.366644  0.419894  1
  Ni  Ni213  1  0.983499  0.338637  0.923640  1
  Ni  Ni214  1  0.984803  0.866870  0.420375  1
  Ni  Ni215  1  0.983523  0.839495  0.923587  1
  Ni  Ni216  1  0.187254  0.312216  0.332830  1
  Ni  Ni217  1  0.173633  0.283292  0.829495  1
  Ni  Ni218  1  0.183205  0.814733  0.329295  1
  Ni  Ni219  1  0.173993  0.782914  0.829209  1
  Ni  Ni220  1  0.511400  0.253937  0.325129  1
  Ni  Ni221  1  0.511026  0.244313  0.822857  1
  Ni  Ni222  1  0.514600  0.753342  0.323831  1
  Ni  Ni223  1  0.511263  0.745303  0.821732  1
  Ni  Ni224  1  0.846682  0.289323  0.319679  1
  Ni  Ni225  1  0.844855  0.259877  0.824595  1
  Ni  Ni226  1  0.846969  0.789875  0.319746  1
  Ni  Ni227  1  0.844824  0.760004  0.823834  1
  Ni  Ni228  1  0.171128  0.220804  0.193079  1
  Ni  Ni229  1  0.155715  0.242841  0.675024  1
  Ni  Ni230  1  0.154274  0.713544  0.179611  1
  Ni  Ni231  1  0.155935  0.742899  0.675182  1
  Ni  Ni232  1  0.481180  0.251684  0.177944  1
  Ni  Ni233  1  0.489715  0.255721  0.677645  1
  Ni  Ni234  1  0.486051  0.749617  0.174077  1
  Ni  Ni235  1  0.489837  0.755892  0.676676  1
  Ni  Ni236  1  0.817677  0.187682  0.169644  1
  Ni  Ni237  1  0.826613  0.220257  0.669370  1
  Ni  Ni238  1  0.817283  0.687084  0.169202  1
  Ni  Ni239  1  0.826430  0.719850  0.668996  1
  Ni  Ni240  1  0.183499  0.150362  0.327459  1
  Ni  Ni241  1  0.170266  0.113642  0.830806  1
  Ni  Ni242  1  0.178781  0.644887  0.324099  1
  Ni  Ni243  1  0.170454  0.613993  0.830083  1
  Ni  Ni244  1  0.513017  0.090434  0.324781  1
  Ni  Ni245  1  0.509800  0.078945  0.821257  1
  Ni  Ni246  1  0.512150  0.589376  0.324473  1
  Ni  Ni247  1  0.509867  0.579347  0.820989  1
  Ni  Ni248  1  0.841760  0.120649  0.313706  1
  Ni  Ni249  1  0.841273  0.092223  0.824467  1
  Ni  Ni250  1  0.841061  0.620398  0.313552  1
  Ni  Ni251  1  0.840582  0.591896  0.823637  1
  Ni  Ni252  1  0.160178  0.386386  0.183820  1
  Ni  Ni253  1  0.159371  0.410795  0.674981  1
  Ni  Ni254  1  0.159108  0.881252  0.184192  1
  Ni  Ni255  1  0.159588  0.910254  0.674866  1
  Ni  Ni256  1  0.483700  0.408790  0.177204  1
  Ni  Ni257  1  0.490832  0.421268  0.677976  1
  Ni  Ni258  1  0.488023  0.913637  0.173709  1
  Ni  Ni259  1  0.491184  0.921734  0.677326  1
  Ni  Ni260  1  0.821156  0.356595  0.174935  1
  Ni  Ni261  1  0.829563  0.389171  0.667625  1
  Ni  Ni262  1  0.822100  0.857025  0.175057  1
  Ni  Ni263  1  0.829846  0.889212  0.668166  1
  Ni  Ni264  1  0.054302  0.107594  0.233824  1
  Ni  Ni265  1  0.051864  0.136607  0.731010  1
  Ni  Ni266  1  0.050142  0.608760  0.230524  1
  Ni  Ni267  1  0.051538  0.636599  0.730985  1
  Ni  Ni268  1  0.394362  0.135632  0.241933  1
  Ni  Ni269  1  0.386055  0.137482  0.742377  1
  Ni  Ni270  1  0.393057  0.637941  0.242175  1
  Ni  Ni271  1  0.386216  0.638026  0.742140  1
  Ni  Ni272  1  0.712065  0.081751  0.220884  1
  Ni  Ni273  1  0.723939  0.112526  0.724344  1
  Ni  Ni274  1  0.710814  0.581350  0.220918  1
  Ni  Ni275  1  0.723254  0.612406  0.723899  1
  Ni  Ni276  1  0.287627  0.397827  0.278589  1
  Ni  Ni277  1  0.276817  0.390456  0.774768  1
  Ni  Ni278  1  0.289401  0.918383  0.277108  1
  Ni  Ni279  1  0.277037  0.890258  0.774388  1
  Ni  Ni280  1  0.607217  0.365480  0.256572  1
  Ni  Ni281  1  0.614819  0.363444  0.757032  1
  Ni  Ni282  1  0.607835  0.865801  0.255935  1
  Ni  Ni283  1  0.615311  0.863619  0.756500  1
  Ni  Ni284  1  0.949931  0.395878  0.267890  1
  Ni  Ni285  1  0.947723  0.365970  0.767449  1
  Ni  Ni286  1  0.951229  0.896281  0.268037  1
  Ni  Ni287  1  0.947804  0.866111  0.767480  1
  Ni  Ni288  1  0.216314  0.079459  0.487593  1
  Ni  Ni289  1  0.213002  0.060968  0.989064  1
  Ni  Ni290  1  0.216360  0.577464  0.487676  1
  Ni  Ni291  1  0.212624  0.561277  0.989422  1
  Ni  Ni292  1  0.548589  0.029034  0.471482  1
  Ni  Ni293  1  0.543406  0.013150  0.968661  1
  Ni  Ni294  1  0.547727  0.529274  0.471252  1
  Ni  Ni295  1  0.542878  0.513391  0.969052  1
  Ni  Ni296  1  0.880554  0.059349  0.478764  1
  Ni  Ni297  1  0.881470  0.034978  0.983784  1
  Ni  Ni298  1  0.880306  0.559502  0.478273  1
  Ni  Ni299  1  0.879334  0.533580  0.982313  1
  Ni  Ni300  1  0.120369  0.443390  0.020606  1
  Ni  Ni301  1  0.120982  0.469248  0.517349  1
  Ni  Ni302  1  0.120996  0.944362  0.020714  1
  Ni  Ni303  1  0.121081  0.968747  0.517519  1
  Ni  Ni304  1  0.452150  0.472723  0.028411  1
  Ni  Ni305  1  0.457102  0.487044  0.529702  1
  Ni  Ni306  1  0.452318  0.974397  0.027260  1
  Ni  Ni307  1  0.457445  0.988408  0.529315  1
  Ni  Ni308  1  0.784199  0.422327  0.010552  1
  Ni  Ni309  1  0.787428  0.441262  0.508830  1
  Ni  Ni310  1  0.785289  0.922848  0.010204  1
  Ni  Ni311  1  0.787722  0.941427  0.508938  1
  Ni  Ni312  1  0.217593  0.406430  0.481548  1
  Ni  Ni313  1  0.215284  0.389528  0.985916  1
  Ni  Ni314  1  0.216851  0.907909  0.479897  1
  Ni  Ni315  1  0.215805  0.889127  0.987037  1
  Ni  Ni316  1  0.546240  0.356314  0.470441  1
  Ni  Ni317  1  0.542856  0.341472  0.967562  1
  Ni  Ni318  1  0.547277  0.856787  0.470117  1
  Ni  Ni319  1  0.543798  0.842316  0.966402  1
  Ni  Ni320  1  0.881772  0.387040  0.472643  1
  Ni  Ni321  1  0.881846  0.360531  0.979679  1
  Ni  Ni322  1  0.882228  0.887259  0.473061  1
  Ni  Ni323  1  0.882688  0.861550  0.980408  1
  Ni  Ni324  1  0.117830  0.115876  0.023603  1
  Ni  Ni325  1  0.118943  0.142049  0.519365  1
  Ni  Ni326  1  0.118224  0.615987  0.025108  1
  Ni  Ni327  1  0.119161  0.642077  0.518708  1
  Ni  Ni328  1  0.452655  0.146469  0.028368  1
  Ni  Ni329  1  0.456946  0.159116  0.532327  1
  Ni  Ni330  1  0.453336  0.645373  0.028937  1
  Ni  Ni331  1  0.456730  0.657577  0.531485  1
  Ni  Ni332  1  0.784940  0.094805  0.018244  1
  Ni  Ni333  1  0.784904  0.113881  0.511559  1
  Ni  Ni334  1  0.783530  0.594084  0.018031  1
  Ni  Ni335  1  0.784769  0.613572  0.511573  1
  Ni  Ni336  1  0.091359  0.369385  0.372293  1
  Ni  Ni337  1  0.087522  0.346453  0.875525  1
  Ni  Ni338  1  0.089754  0.869955  0.371840  1
  Ni  Ni339  1  0.088104  0.846137  0.875958  1
  Ni  Ni340  1  0.426983  0.398017  0.383768  1
  Ni  Ni341  1  0.421144  0.382715  0.881128  1
  Ni  Ni342  1  0.426140  0.897579  0.381917  1
  Ni  Ni343  1  0.421220  0.883411  0.878937  1
  Ni  Ni344  1  0.752990  0.340435  0.363693  1
  Ni  Ni345  1  0.755237  0.330735  0.866771  1
  Ni  Ni346  1  0.754423  0.841003  0.363852  1
  Ni  Ni347  1  0.756036  0.830206  0.866931  1
