# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63197850
_cell_length_b   15.54341360
_cell_length_c   17.59125599
_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   4748.10429511
_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  0.269648  0.459563  0.114424  1
  Zr  Zr2  1  0.266935  0.449840  0.614580  1
  Zr  Zr3  1  0.269114  0.959482  0.113805  1
  Zr  Zr4  1  0.265923  0.950803  0.612168  1
  Zr  Zr5  1  0.602536  0.480473  0.118462  1
  Zr  Zr6  1  0.606821  0.479811  0.624997  1
  Zr  Zr7  1  0.602384  0.980206  0.118505  1
  Zr  Zr8  1  0.606589  0.979422  0.624850  1
  Zr  Zr9  1  0.939858  0.498308  0.134748  1
  Zr  Zr10  1  0.937730  0.508346  0.626986  1
  Zr  Zr11  1  0.940146  0.998102  0.134958  1
  Zr  Zr12  1  0.937724  0.008892  0.626592  1
  Zr  Zr13  1  0.066117  0.051818  0.382318  1
  Zr  Zr14  1  0.064401  0.042705  0.884392  1
  Zr  Zr15  1  0.066603  0.550661  0.384393  1
  Zr  Zr16  1  0.064300  0.542715  0.884955  1
  Zr  Zr17  1  0.395208  0.993000  0.372099  1
  Zr  Zr18  1  0.393862  0.003631  0.864035  1
  Zr  Zr19  1  0.396212  0.492854  0.372385  1
  Zr  Zr20  1  0.394066  0.503809  0.864154  1
  Zr  Zr21  1  0.726931  0.021954  0.373805  1
  Zr  Zr22  1  0.730996  0.021848  0.879818  1
  Zr  Zr23  1  0.727072  0.522298  0.373901  1
  Zr  Zr24  1  0.731335  0.521888  0.880216  1
  Zr  Zr25  1  0.287747  0.194142  0.281856  1
  Zr  Zr26  1  0.280578  0.211630  0.779132  1
  Zr  Zr27  1  0.286820  0.694228  0.283607  1
  Zr  Zr28  1  0.280805  0.711881  0.779254  1
  Zr  Zr29  1  0.611179  0.211092  0.290577  1
  Zr  Zr30  1  0.618678  0.223464  0.790293  1
  Zr  Zr31  1  0.611354  0.711306  0.290268  1
  Zr  Zr32  1  0.618381  0.723321  0.790213  1
  Zr  Zr33  1  0.948737  0.257397  0.297559  1
  Zr  Zr34  1  0.944455  0.228526  0.800068  1
  Zr  Zr35  1  0.949817  0.756809  0.298915  1
  Zr  Zr36  1  0.944532  0.728362  0.800369  1
  Zr  Zr37  1  0.052615  0.290787  0.219229  1
  Zr  Zr38  1  0.046922  0.307692  0.716164  1
  Zr  Zr39  1  0.054057  0.791067  0.221025  1
  Zr  Zr40  1  0.046488  0.808120  0.716135  1
  Zr  Zr41  1  0.389976  0.273806  0.198258  1
  Zr  Zr42  1  0.384146  0.243607  0.700497  1
  Zr  Zr43  1  0.389152  0.773378  0.198994  1
  Zr  Zr44  1  0.384003  0.744614  0.699909  1
  Zr  Zr45  1  0.715044  0.279010  0.208357  1
  Zr  Zr46  1  0.722564  0.290412  0.708232  1
  Zr  Zr47  1  0.715747  0.779205  0.208572  1
  Zr  Zr48  1  0.722737  0.790325  0.708453  1
  Zr  Zr49  1  0.098830  0.299214  0.026064  1
  Zr  Zr50  1  0.096334  0.314235  0.520690  1
  Zr  Zr51  1  0.099105  0.799436  0.027037  1
  Zr  Zr52  1  0.094942  0.812121  0.521767  1
  Zr  Zr53  1  0.427475  0.268339  0.009563  1
  Zr  Zr54  1  0.432012  0.255208  0.516190  1
  Zr  Zr55  1  0.427401  0.768486  0.009557  1
  Zr  Zr56  1  0.431609  0.755364  0.516031  1
  Zr  Zr57  1  0.765018  0.283139  0.023094  1
  Zr  Zr58  1  0.763720  0.286303  0.519444  1
  Zr  Zr59  1  0.765280  0.783361  0.023260  1
  Zr  Zr60  1  0.763809  0.786613  0.519388  1
  Zr  Zr61  1  0.235800  0.181507  0.477455  1
  Zr  Zr62  1  0.235106  0.203073  0.972793  1
  Zr  Zr63  1  0.237669  0.687088  0.478151  1
  Zr  Zr64  1  0.235057  0.703091  0.973249  1
  Zr  Zr65  1  0.570894  0.215646  0.479493  1
  Zr  Zr66  1  0.568446  0.218960  0.975362  1
  Zr  Zr67  1  0.569971  0.715099  0.479450  1
  Zr  Zr68  1  0.568598  0.718948  0.975494  1
  Zr  Zr69  1  0.901627  0.245817  0.482631  1
  Zr  Zr70  1  0.906415  0.233637  0.989266  1
  Zr  Zr71  1  0.901756  0.746369  0.482665  1
  Zr  Zr72  1  0.906452  0.733729  0.989355  1
  Zr  Zr73  1  0.125378  0.062863  0.159248  1
  Zr  Zr74  1  0.122757  0.081453  0.654322  1
  Zr  Zr75  1  0.125861  0.563010  0.160850  1
  Zr  Zr76  1  0.122424  0.582289  0.656707  1
  Zr  Zr77  1  0.454168  0.036647  0.140276  1
  Zr  Zr78  1  0.458398  0.016753  0.647339  1
  Zr  Zr79  1  0.454595  0.537266  0.140098  1
  Zr  Zr80  1  0.459182  0.516216  0.648291  1
  Zr  Zr81  1  0.790551  0.045237  0.154572  1
  Zr  Zr82  1  0.792211  0.055816  0.650056  1
  Zr  Zr83  1  0.790713  0.545201  0.154793  1
  Zr  Zr84  1  0.792333  0.556105  0.650021  1
  Zr  Zr85  1  0.211402  0.419312  0.342730  1
  Zr  Zr86  1  0.208217  0.439096  0.838514  1
  Zr  Zr87  1  0.211550  0.924545  0.348387  1
  Zr  Zr88  1  0.207888  0.938739  0.838218  1
  Zr  Zr89  1  0.541617  0.445941  0.348760  1
  Zr  Zr90  1  0.543071  0.457067  0.843816  1
  Zr  Zr91  1  0.541121  0.945530  0.348617  1
  Zr  Zr92  1  0.542697  0.956932  0.843580  1
  Zr  Zr93  1  0.874290  0.484695  0.350846  1
  Zr  Zr94  1  0.879318  0.464855  0.858992  1
  Zr  Zr95  1  0.875009  0.984932  0.350658  1
  Zr  Zr96  1  0.879414  0.964906  0.858554  1
  Ni  Ni97  1  0.002265  0.016868  0.010865  1
  Ni  Ni98  1  0.001567  0.033895  0.503095  1
  Ni  Ni99  1  0.002505  0.516969  0.011364  1
  Ni  Ni100  1  1.000067  0.533348  0.504060  1
  Ni  Ni101  1  0.331241  0.984857  0.987560  1
  Ni  Ni102  1  0.333408  0.969224  0.495401  1
  Ni  Ni103  1  0.331448  0.485378  0.987805  1
  Ni  Ni104  1  0.333488  0.466105  0.495088  1
  Ni  Ni105  1  0.666685  0.001059  0.999106  1
  Ni  Ni106  1  0.666697  1.000432  0.499273  1
  Ni  Ni107  1  0.666914  0.501245  0.999271  1
  Ni  Ni108  1  0.666961  0.501123  0.499460  1
  Ni  Ni109  1  0.020868  0.387906  0.088042  1
  Ni  Ni110  1  0.017899  0.402237  0.583149  1
  Ni  Ni111  1  0.021049  0.887840  0.088218  1
  Ni  Ni112  1  0.019215  0.904043  0.582580  1
  Ni  Ni113  1  0.350982  0.360909  0.067861  1
  Ni  Ni114  1  0.353026  0.342024  0.572334  1
  Ni  Ni115  1  0.350671  0.860495  0.068007  1
  Ni  Ni116  1  0.353328  0.845048  0.572388  1
  Ni  Ni117  1  0.686454  0.373376  0.078076  1
  Ni  Ni118  1  0.687530  0.375755  0.578765  1
  Ni  Ni119  1  0.686513  0.873417  0.078116  1
  Ni  Ni120  1  0.687365  0.875276  0.578735  1
  Ni  Ni121  1  0.316941  0.101595  0.414680  1
  Ni  Ni122  1  0.313009  0.114189  0.910730  1
  Ni  Ni123  1  0.315820  0.597770  0.416075  1
  Ni  Ni124  1  0.312946  0.614469  0.910969  1
  Ni  Ni125  1  0.646332  0.125801  0.420007  1
  Ni  Ni126  1  0.646925  0.128780  0.920287  1
  Ni  Ni127  1  0.646410  0.626439  0.420079  1
  Ni  Ni128  1  0.647290  0.628912  0.920558  1
  Ni  Ni129  1  0.980124  0.157296  0.425864  1
  Ni  Ni130  1  0.982813  0.141385  0.930745  1
  Ni  Ni131  1  0.979847  0.656395  0.426434  1
  Ni  Ni132  1  0.982866  0.641337  0.931267  1
  Ni  Ni133  1  0.063743  0.455285  0.244689  1
  Ni  Ni134  1  0.058993  0.472417  0.740467  1
  Ni  Ni135  1  0.063793  0.955362  0.244450  1
  Ni  Ni136  1  0.059360  0.973037  0.739527  1
  Ni  Ni137  1  0.399121  0.442271  0.229361  1
  Ni  Ni138  1  0.391518  0.410104  0.728235  1
  Ni  Ni139  1  0.397446  0.941413  0.229365  1
  Ni  Ni140  1  0.390960  0.911254  0.727739  1
  Ni  Ni141  1  0.723013  0.444248  0.234935  1
  Ni  Ni142  1  0.738211  0.460089  0.740613  1
  Ni  Ni143  1  0.723313  0.944218  0.235026  1
  Ni  Ni144  1  0.738035  0.959730  0.740498  1
  Ni  Ni145  1  0.274689  0.028854  0.258816  1
  Ni  Ni146  1  0.270179  0.046327  0.754465  1
  Ni  Ni147  1  0.274959  0.529412  0.259025  1
  Ni  Ni148  1  0.270225  0.546839  0.754570  1
  Ni  Ni149  1  0.595595  0.041570  0.258220  1
  Ni  Ni150  1  0.610002  0.058021  0.763403  1
  Ni  Ni151  1  0.595822  0.541711  0.258241  1
  Ni  Ni152  1  0.610824  0.558354  0.763851  1
  Ni  Ni153  1  0.941746  0.091049  0.269947  1
  Ni  Ni154  1  0.934985  0.059958  0.769306  1
  Ni  Ni155  1  0.941865  0.590237  0.270454  1
  Ni  Ni156  1  0.934577  0.559626  0.769629  1
  Ni  Ni157  1  0.245962  0.279389  0.115886  1
  Ni  Ni158  1  0.247285  0.276063  0.617565  1
  Ni  Ni159  1  0.246151  0.779604  0.116814  1
  Ni  Ni160  1  0.247042  0.777107  0.618066  1
  Ni  Ni161  1  0.578107  0.305325  0.120372  1
  Ni  Ni162  1  0.579924  0.300833  0.624340  1
  Ni  Ni163  1  0.578279  0.805310  0.120564  1
  Ni  Ni164  1  0.579764  0.800514  0.624519  1
  Ni  Ni165  1  0.913829  0.323225  0.134265  1
  Ni  Ni166  1  0.912134  0.332266  0.627423  1
  Ni  Ni167  1  0.914502  0.822883  0.134790  1
  Ni  Ni168  1  0.912669  0.833195  0.626989  1
  Ni  Ni169  1  0.086042  0.224902  0.380351  1
  Ni  Ni170  1  0.087768  0.222910  0.882934  1
  Ni  Ni171  1  0.086028  0.724677  0.381029  1
  Ni  Ni172  1  0.087734  0.722753  0.883862  1
  Ni  Ni173  1  0.422387  0.169555  0.371743  1
  Ni  Ni174  1  0.419465  0.178566  0.863837  1
  Ni  Ni175  1  0.421381  0.668878  0.371555  1
  Ni  Ni176  1  0.419456  0.678932  0.864046  1
  Ni  Ni177  1  0.753767  0.200950  0.374346  1
  Ni  Ni178  1  0.755552  0.196684  0.878212  1
  Ni  Ni179  1  0.753965  0.701246  0.374311  1
  Ni  Ni180  1  0.755658  0.696908  0.878273  1
  Ni  Ni181  1  0.245048  0.116575  0.118547  1
  Ni  Ni182  1  0.243977  0.111462  0.620041  1
  Ni  Ni183  1  0.245125  0.616445  0.119634  1
  Ni  Ni184  1  0.242430  0.609113  0.616891  1
  Ni  Ni185  1  0.576719  0.141123  0.124539  1
  Ni  Ni186  1  0.581481  0.138998  0.628974  1
  Ni  Ni187  1  0.577072  0.641553  0.124555  1
  Ni  Ni188  1  0.581508  0.638983  0.629189  1
  Ni  Ni189  1  0.912363  0.159483  0.134583  1
  Ni  Ni190  1  0.911504  0.169766  0.631504  1
  Ni  Ni191  1  0.912853  0.659538  0.135423  1
  Ni  Ni192  1  0.911414  0.669878  0.631789  1
  Ni  Ni193  1  0.019852  0.164890  0.088087  1
  Ni  Ni194  1  0.015651  0.179497  0.583014  1
  Ni  Ni195  1  0.019796  0.664936  0.088619  1
  Ni  Ni196  1  0.015399  0.679092  0.583697  1
  Ni  Ni197  1  0.347666  0.134267  0.067476  1
  Ni  Ni198  1  0.350157  0.116739  0.569982  1
  Ni  Ni199  1  0.347645  0.634702  0.067848  1
  Ni  Ni200  1  0.349444  0.614287  0.569678  1
  Ni  Ni201  1  0.681543  0.148880  0.076234  1
  Ni  Ni202  1  0.684110  0.150876  0.577431  1
  Ni  Ni203  1  0.682063  0.649156  0.076475  1
  Ni  Ni204  1  0.684258  0.651531  0.577583  1
  Ni  Ni205  1  0.317405  0.319126  0.415683  1
  Ni  Ni206  1  0.314054  0.337477  0.910743  1
  Ni  Ni207  1  0.317705  0.823458  0.415978  1
  Ni  Ni208  1  0.313802  0.837096  0.910470  1
  Ni  Ni209  1  0.649773  0.350735  0.421276  1
  Ni  Ni210  1  0.651833  0.353365  0.922244  1
  Ni  Ni211  1  0.649591  0.850203  0.421207  1
  Ni  Ni212  1  0.651804  0.853189  0.922209  1
  Ni  Ni213  1  0.984117  0.385681  0.428904  1
  Ni  Ni214  1  0.986279  0.367605  0.931256  1
  Ni  Ni215  1  0.985533  0.886706  0.429301  1
  Ni  Ni216  1  0.986370  0.867470  0.931365  1
  Ni  Ni217  1  0.182661  0.240451  0.327060  1
  Ni  Ni218  1  0.175874  0.261071  0.818618  1
  Ni  Ni219  1  0.182518  0.742656  0.326879  1
  Ni  Ni220  1  0.175478  0.760579  0.819122  1
  Ni  Ni221  1  0.510371  0.266362  0.323806  1
  Ni  Ni222  1  0.515046  0.282717  0.820750  1
  Ni  Ni223  1  0.510357  0.766129  0.324004  1
  Ni  Ni224  1  0.514777  0.782369  0.820755  1
  Ni  Ni225  1  0.845832  0.308573  0.327981  1
  Ni  Ni226  1  0.845938  0.287906  0.832512  1
  Ni  Ni227  1  0.846588  0.808933  0.328301  1
  Ni  Ni228  1  0.846131  0.787984  0.832625  1
  Ni  Ni229  1  0.158072  0.240471  0.180900  1
  Ni  Ni230  1  0.151191  0.261233  0.672204  1
  Ni  Ni231  1  0.157755  0.740859  0.180860  1
  Ni  Ni232  1  0.151044  0.761251  0.672965  1
  Ni  Ni233  1  0.488025  0.213837  0.166244  1
  Ni  Ni234  1  0.487833  0.192789  0.670934  1
  Ni  Ni235  1  0.487831  0.714272  0.166444  1
  Ni  Ni236  1  0.487403  0.692579  0.670788  1
  Ni  Ni237  1  0.818379  0.219641  0.177427  1
  Ni  Ni238  1  0.823314  0.235242  0.674969  1
  Ni  Ni239  1  0.819104  0.719801  0.178078  1
  Ni  Ni240  1  0.823779  0.735868  0.674967  1
  Ni  Ni241  1  0.180252  0.079516  0.319768  1
  Ni  Ni242  1  0.175326  0.097075  0.820670  1
  Ni  Ni243  1  0.180440  0.577098  0.325288  1
  Ni  Ni244  1  0.175168  0.596993  0.821570  1
  Ni  Ni245  1  0.504620  0.096909  0.321693  1
  Ni  Ni246  1  0.508779  0.114051  0.815555  1
  Ni  Ni247  1  0.504925  0.597348  0.321803  1
  Ni  Ni248  1  0.509055  0.613941  0.816108  1
  Ni  Ni249  1  0.839720  0.139092  0.321271  1
  Ni  Ni250  1  0.841629  0.117005  0.832976  1
  Ni  Ni251  1  0.839889  0.639266  0.321366  1
  Ni  Ni252  1  0.841863  0.617069  0.833425  1
  Ni  Ni253  1  0.158768  0.404729  0.177824  1
  Ni  Ni254  1  0.153396  0.425187  0.674004  1
  Ni  Ni255  1  0.158584  0.905539  0.180813  1
  Ni  Ni256  1  0.153893  0.925142  0.672920  1
  Ni  Ni257  1  0.492210  0.385170  0.165351  1
  Ni  Ni258  1  0.493561  0.361687  0.677429  1
  Ni  Ni259  1  0.491914  0.884780  0.165629  1
  Ni  Ni260  1  0.493608  0.862391  0.677393  1
  Ni  Ni261  1  0.824476  0.388244  0.182489  1
  Ni  Ni262  1  0.828943  0.404390  0.677186  1
  Ni  Ni263  1  0.825016  0.888411  0.182522  1
  Ni  Ni264  1  0.829044  0.904517  0.676978  1
  Ni  Ni265  1  0.059866  0.131669  0.243808  1
  Ni  Ni266  1  0.051027  0.142656  0.740005  1
  Ni  Ni267  1  0.060408  0.631156  0.244925  1
  Ni  Ni268  1  0.050276  0.642780  0.740775  1
  Ni  Ni269  1  0.384915  0.110349  0.222348  1
  Ni  Ni270  1  0.380457  0.085147  0.720657  1
  Ni  Ni271  1  0.385293  0.610437  0.222497  1
  Ni  Ni272  1  0.381181  0.586396  0.721327  1
  Ni  Ni273  1  0.710179  0.117357  0.229038  1
  Ni  Ni274  1  0.724078  0.129693  0.731746  1
  Ni  Ni275  1  0.710424  0.617410  0.229115  1
  Ni  Ni276  1  0.724599  0.629968  0.731886  1
  Ni  Ni277  1  0.283494  0.359019  0.258765  1
  Ni  Ni278  1  0.273551  0.370950  0.754266  1
  Ni  Ni279  1  0.281194  0.859207  0.260123  1
  Ni  Ni280  1  0.273508  0.871546  0.753618  1
  Ni  Ni281  1  0.609315  0.371733  0.266890  1
  Ni  Ni282  1  0.623431  0.385015  0.769488  1
  Ni  Ni283  1  0.609346  0.871875  0.266975  1
  Ni  Ni284  1  0.623212  0.884801  0.769510  1
  Ni  Ni285  1  0.952165  0.415481  0.277132  1
  Ni  Ni286  1  0.948660  0.391613  0.776569  1
  Ni  Ni287  1  0.952746  0.914572  0.277611  1
  Ni  Ni288  1  0.948893  0.891563  0.776327  1
  Ni  Ni289  1  0.211302  0.029879  0.969368  1
  Ni  Ni290  1  0.212844  0.513581  0.470449  1
  Ni  Ni291  1  0.211297  0.529854  0.969872  1
  Ni  Ni292  1  0.547604  0.043975  0.482475  1
  Ni  Ni293  1  0.545549  0.047104  0.979042  1
  Ni  Ni294  1  0.547898  0.544030  0.482847  1
  Ni  Ni295  1  0.545791  0.547344  0.979206  1
  Ni  Ni296  1  0.879732  0.074198  0.487485  1
  Ni  Ni297  1  0.882699  0.062260  0.991169  1
  Ni  Ni298  1  0.879346  0.574288  0.487963  1
  Ni  Ni299  1  0.882856  0.562411  0.991632  1
  Ni  Ni300  1  0.122680  0.472430  0.029348  1
  Ni  Ni301  1  0.120833  0.487252  0.528776  1
  Ni  Ni302  1  0.122465  0.972390  0.028455  1
  Ni  Ni303  1  0.126015  0.988792  0.525431  1
  Ni  Ni304  1  0.451017  0.439744  0.007425  1
  Ni  Ni305  1  0.454134  0.426481  0.511285  1
  Ni  Ni306  1  0.450794  0.939612  0.007265  1
  Ni  Ni307  1  0.453904  0.927395  0.510864  1
  Ni  Ni308  1  0.788007  0.454862  0.019531  1
  Ni  Ni309  1  0.785923  0.457652  0.516044  1
  Ni  Ni310  1  0.787953  0.955039  0.019335  1
  Ni  Ni311  1  0.786068  0.957528  0.516038  1
  Ni  Ni312  1  0.212931  0.339607  0.470179  1
  Ni  Ni313  1  0.211458  0.358469  0.966685  1
  Ni  Ni314  1  0.212138  0.838841  0.470641  1
  Ni  Ni315  1  0.211290  0.858408  0.966686  1
  Ni  Ni316  1  0.550006  0.371135  0.479301  1
  Ni  Ni317  1  0.547795  0.375275  0.973754  1
  Ni  Ni318  1  0.549741  0.870778  0.479444  1
  Ni  Ni319  1  0.547690  0.875116  0.973668  1
  Ni  Ni320  1  0.880643  0.402772  0.480083  1
  Ni  Ni321  1  0.883706  0.388585  0.988095  1
  Ni  Ni322  1  0.881605  0.903642  0.479914  1
  Ni  Ni323  1  0.883684  0.888542  0.987964  1
  Ni  Ni324  1  0.122300  0.143939  0.031880  1
  Ni  Ni325  1  0.120767  0.160809  0.528435  1
  Ni  Ni326  1  0.122451  0.643865  0.032708  1
  Ni  Ni327  1  0.121105  0.659335  0.529210  1
  Ni  Ni328  1  0.450035  0.113249  0.010712  1
  Ni  Ni329  1  0.453093  0.098813  0.518617  1
  Ni  Ni330  1  0.450124  0.613640  0.010809  1
  Ni  Ni331  1  0.452870  0.597768  0.519178  1
  Ni  Ni332  1  0.785678  0.127023  0.024577  1
  Ni  Ni333  1  0.783891  0.130305  0.519400  1
  Ni  Ni334  1  0.786172  0.627164  0.025053  1
  Ni  Ni335  1  0.783907  0.630928  0.519379  1
  Ni  Ni336  1  0.091551  0.391799  0.382178  1
  Ni  Ni337  1  0.088823  0.385903  0.879613  1
  Ni  Ni338  1  0.091697  0.891814  0.382696  1
  Ni  Ni339  1  0.088783  0.885597  0.879675  1
  Ni  Ni340  1  0.422248  0.331940  0.367297  1
  Ni  Ni341  1  0.421181  0.342295  0.863790  1
  Ni  Ni342  1  0.422075  0.831876  0.367428  1
  Ni  Ni343  1  0.421008  0.842588  0.863421  1
  Ni  Ni344  1  0.752158  0.362719  0.369634  1
  Ni  Ni345  1  0.756816  0.360691  0.874219  1
  Ni  Ni346  1  0.752600  0.862895  0.369837  1
  Ni  Ni347  1  0.756774  0.860907  0.874012  1
