# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.82025884
_cell_length_b   11.35162869
_cell_length_c   51.95798280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   127.67697349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10652.8316242
_cell_formula_units_Z   12
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  0.076597  0.755091  0.358574  1
  Zr  Zr2  1  0.768364  0.602500  0.315893  1
  Zr  Zr3  1  0.456157  0.551881  0.294945  1
  Zr  Zr4  1  0.306526  0.142897  0.325118  1
  Zr  Zr5  1  0.925680  0.338050  0.390945  1
  Zr  Zr6  1  0.616926  0.188502  0.349153  1
  Zr  Zr7  1  0.078809  0.353255  0.338988  1
  Zr  Zr8  1  0.759329  0.196805  0.294963  1
  Zr  Zr9  1  0.382305  0.500682  0.379736  1
  Zr  Zr10  1  0.303833  0.548402  0.345877  1
  Zr  Zr11  1  0.993296  0.382635  0.304135  1
  Zr  Zr12  1  0.620837  0.593074  0.368483  1
  Zr  Zr13  1  0.287632  0.756323  0.297619  1
  Zr  Zr14  1  0.909467  0.957567  0.361638  1
  Zr  Zr15  1  0.609025  0.825250  0.318659  1
  Zr  Zr16  1  0.094080  0.135791  0.387392  1
  Zr  Zr17  1  0.784217  0.981112  0.344302  1
  Zr  Zr18  1  0.466658  0.915537  0.320093  1
  Zr  Zr19  1  0.210032  0.748285  0.374169  1
  Zr  Zr20  1  0.902436  0.594453  0.331638  1
  Zr  Zr21  1  0.596591  0.448911  0.288504  1
  Zr  Zr22  1  0.170319  0.150160  0.310205  1
  Zr  Zr23  1  0.793390  0.347535  0.375708  1
  Zr  Zr24  1  0.474571  0.290042  0.351100  1
  Zr  Zr25  1  0.007718  0.104446  0.466532  1
  Zr  Zr26  1  0.698005  0.948949  0.423924  1
  Zr  Zr27  1  0.386383  0.905290  0.400951  1
  Zr  Zr28  1  0.236243  0.494981  0.433583  1
  Zr  Zr29  1  0.857383  0.688709  0.499022  1
  Zr  Zr30  1  0.548001  0.538192  0.456698  1
  Zr  Zr31  1  0.009699  0.706819  0.444908  1
  Zr  Zr32  1  0.701168  0.554011  0.402737  1
  Zr  Zr33  1  0.314429  0.854724  0.487799  1
  Zr  Zr34  1  0.232345  0.891762  0.454627  1
  Zr  Zr35  1  0.924678  0.739547  0.411939  1
  Zr  Zr36  1  0.551118  0.939420  0.478227  1
  Zr  Zr37  1  0.218286  0.110737  0.404294  1
  Zr  Zr38  1  0.839719  0.307029  0.469558  1
  Zr  Zr39  1  0.536084  0.169814  0.427014  1
  Zr  Zr40  1  0.025532  0.486438  0.496230  1
  Zr  Zr41  1  0.716212  0.333361  0.453525  1
  Zr  Zr42  1  0.398025  0.274348  0.430172  1
  Zr  Zr43  1  0.141370  0.097359  0.482302  1
  Zr  Zr44  1  0.832723  0.944970  0.439340  1
  Zr  Zr45  1  0.528828  0.799873  0.396594  1
  Zr  Zr46  1  0.101348  0.498566  0.418332  1
  Zr  Zr47  1  0.723817  0.696406  0.483528  1
  Zr  Zr48  1  0.404999  0.642000  0.460848  1
  Zr  Zr49  1  0.939294  0.454595  0.574750  1
  Zr  Zr50  1  0.629300  0.299104  0.532630  1
  Zr  Zr51  1  0.317431  0.255475  0.509235  1
  Zr  Zr52  1  0.167064  0.844968  0.541961  1
  Zr  Zr53  1  0.788425  0.037200  0.606994  1
  Zr  Zr54  1  0.479725  0.889741  0.565320  1
  Zr  Zr55  1  0.941006  0.054938  0.553185  1
  Zr  Zr56  1  0.633018  0.902506  0.511333  1
  Zr  Zr57  1  0.244168  0.200403  0.596885  1
  Zr  Zr58  1  0.163166  0.240275  0.563377  1
  Zr  Zr59  1  0.855552  0.087134  0.520568  1
  Zr  Zr60  1  0.482696  0.288343  0.587011  1
  Zr  Zr61  1  0.149002  0.460546  0.512341  1
  Zr  Zr62  1  0.771155  0.656960  0.577883  1
  Zr  Zr63  1  0.467681  0.520194  0.535450  1
  Zr  Zr64  1  0.956830  0.836581  0.604143  1
  Zr  Zr65  1  0.647449  0.683768  0.561841  1
  Zr  Zr66  1  0.329715  0.625053  0.539028  1
  Zr  Zr67  1  0.072937  0.448198  0.590459  1
  Zr  Zr68  1  0.764090  0.294617  0.547533  1
  Zr  Zr69  1  0.460410  0.151784  0.505201  1
  Zr  Zr70  1  0.032774  0.848845  0.526306  1
  Zr  Zr71  1  0.654789  0.045938  0.591595  1
  Zr  Zr72  1  0.336000  0.992485  0.569327  1
  Zr  Zr73  1  0.868657  0.806400  0.682619  1
  Zr  Zr74  1  0.559186  0.648396  0.641418  1
  Zr  Zr75  1  0.250236  0.606912  0.617404  1
  Zr  Zr76  1  0.098798  0.197019  0.650484  1
  Zr  Zr77  1  0.717093  0.381711  0.711537  1
  Zr  Zr78  1  0.407411  0.236699  0.673115  1
  Zr  Zr79  1  0.873429  0.405182  0.660706  1
  Zr  Zr80  1  0.561144  0.246199  0.622036  1
  Zr  Zr81  1  0.189331  0.585857  0.704550  1
  Zr  Zr82  1  0.096470  0.599224  0.669544  1
  Zr  Zr83  1  0.787856  0.439535  0.627681  1
  Zr  Zr84  1  0.418428  0.628767  0.697238  1
  Zr  Zr85  1  0.081069  0.813932  0.621632  1
  Zr  Zr86  1  0.703746  0.012123  0.685895  1
  Zr  Zr87  1  0.399081  0.876110  0.644831  1
  Zr  Zr88  1  0.888925  0.191524  0.710699  1
  Zr  Zr89  1  0.579311  0.041243  0.668814  1
  Zr  Zr90  1  0.257302  0.969106  0.647386  1
  Zr  Zr91  1  0.002197  0.796747  0.698756  1
  Zr  Zr92  1  0.695518  0.641797  0.656097  1
  Zr  Zr93  1  0.389557  0.499396  0.613484  1
  Zr  Zr94  1  0.965546  0.199547  0.634348  1
  Zr  Zr95  1  0.580875  0.402841  0.700570  1
  Zr  Zr96  1  0.266582  0.342705  0.677151  1
  Ni  Ni97  1  0.344335  0.023433  0.362620  1
  Ni  Ni98  1  0.037931  0.872725  0.318524  1
  Ni  Ni99  1  0.726079  0.712094  0.275928  1
  Ni  Ni100  1  0.363416  0.644885  0.297642  1
  Ni  Ni101  1  0.988595  0.852828  0.363838  1
  Ni  Ni102  1  0.683057  0.702027  0.320001  1
  Ni  Ni103  1  0.015297  0.240754  0.384629  1
  Ni  Ni104  1  0.706224  0.091771  0.341871  1
  Ni  Ni105  1  0.390668  0.038289  0.317309  1
  Ni  Ni106  1  0.315491  0.391307  0.314167  1
  Ni  Ni107  1  0.939049  0.590457  0.380053  1
  Ni  Ni108  1  0.629640  0.438331  0.336238  1
  Ni  Ni109  1  0.063730  0.505095  0.369624  1
  Ni  Ni110  1  0.757109  0.356517  0.327891  1
  Ni  Ni111  1  0.447967  0.303825  0.301705  1
  Ni  Ni112  1  0.142844  0.526331  0.293349  1
  Ni  Ni113  1  0.766591  0.728750  0.356585  1
  Ni  Ni114  1  0.444759  0.670283  0.333616  1
  Ni  Ni115  1  0.237228  0.368344  0.392163  1
  Ni  Ni116  1  0.930618  0.218854  0.348968  1
  Ni  Ni117  1  0.618341  0.066077  0.307738  1
  Ni  Ni118  1  0.118334  0.639386  0.327280  1
  Ni  Ni119  1  0.804219  0.474218  0.285518  1
  Ni  Ni120  1  0.431618  0.800388  0.368689  1
  Ni  Ni121  1  0.340084  0.817044  0.345969  1
  Ni  Ni122  1  0.030026  0.658829  0.303855  1
  Ni  Ni123  1  0.653934  0.862260  0.369517  1
  Ni  Ni124  1  0.042247  0.077424  0.336624  1
  Ni  Ni125  1  0.732855  0.927113  0.293214  1
  Ni  Ni126  1  0.348804  0.229934  0.378980  1
  Ni  Ni127  1  0.173581  0.304975  0.346216  1
  Ni  Ni128  1  0.861773  0.151130  0.303761  1
  Ni  Ni129  1  0.479206  0.448359  0.389544  1
  Ni  Ni130  1  0.207608  0.589962  0.337773  1
  Ni  Ni131  1  0.898065  0.431064  0.296250  1
  Ni  Ni132  1  0.523795  0.644733  0.358266  1
  Ni  Ni133  1  0.154470  0.436537  0.381564  1
  Ni  Ni134  1  0.843961  0.281418  0.337596  1
  Ni  Ni135  1  0.527283  0.206438  0.315608  1
  Ni  Ni136  1  0.222924  0.449521  0.303795  1
  Ni  Ni137  1  0.849194  0.659669  0.368083  1
  Ni  Ni138  1  0.546548  0.531661  0.322954  1
  Ni  Ni139  1  0.280053  0.634191  0.386582  1
  Ni  Ni140  1  0.970522  0.479503  0.343052  1
  Ni  Ni141  1  0.659699  0.316995  0.300395  1
  Ni  Ni142  1  0.089808  0.252806  0.297712  1
  Ni  Ni143  1  0.722803  0.461887  0.363256  1
  Ni  Ni144  1  0.413555  0.417365  0.339778  1
  Ni  Ni145  1  0.159404  0.903362  0.319008  1
  Ni  Ni146  1  0.781670  0.108742  0.384276  1
  Ni  Ni147  1  0.466606  0.058916  0.359111  1
  Ni  Ni148  1  0.221965  0.985655  0.364121  1
  Ni  Ni149  1  0.916520  0.836645  0.321377  1
  Ni  Ni150  1  0.604814  0.678591  0.279985  1
  Ni  Ni151  1  0.131367  0.030237  0.353744  1
  Ni  Ni152  1  0.822553  0.881416  0.309994  1
  Ni  Ni153  1  0.441927  0.181946  0.397223  1
  Ni  Ni154  1  0.248379  0.858877  0.328997  1
  Ni  Ni155  1  0.935787  0.699267  0.286359  1
  Ni  Ni156  1  0.560833  0.912023  0.351326  1
  Ni  Ni157  1  0.258796  0.249176  0.355833  1
  Ni  Ni158  1  0.952511  0.100849  0.313896  1
  Ni  Ni159  1  0.572501  0.296958  0.379632  1
  Ni  Ni160  1  0.274403  0.374100  0.472080  1
  Ni  Ni161  1  0.966616  0.222399  0.429052  1
  Ni  Ni162  1  0.659526  0.070749  0.385774  1
  Ni  Ni163  1  0.295845  0.002096  0.406602  1
  Ni  Ni164  1  0.917827  0.203283  0.473823  1
  Ni  Ni165  1  0.613369  0.056450  0.431113  1
  Ni  Ni166  1  0.947531  0.590384  0.491870  1
  Ni  Ni167  1  0.638889  0.442029  0.450556  1
  Ni  Ni168  1  0.320829  0.388213  0.426666  1
  Ni  Ni169  1  0.247927  0.742743  0.423090  1
  Ni  Ni170  1  0.869695  0.939626  0.488245  1
  Ni  Ni171  1  0.561540  0.790871  0.445901  1
  Ni  Ni172  1  0.995626  0.853610  0.477332  1
  Ni  Ni173  1  0.686600  0.702203  0.434676  1
  Ni  Ni174  1  0.373946  0.653988  0.411478  1
  Ni  Ni175  1  0.072595  0.876970  0.399578  1
  Ni  Ni176  1  0.697345  0.075893  0.465313  1
  Ni  Ni177  1  0.377418  0.023277  0.441637  1
  Ni  Ni178  1  0.168023  0.718364  0.500619  1
  Ni  Ni179  1  0.861776  0.568045  0.457773  1
  Ni  Ni180  1  0.556630  0.420665  0.415549  1
  Ni  Ni181  1  0.051933  0.995531  0.435356  1
  Ni  Ni182  1  0.744391  0.844663  0.392825  1
  Ni  Ni183  1  0.361318  0.147923  0.477670  1
  Ni  Ni184  1  0.269443  0.165758  0.454942  1
  Ni  Ni185  1  0.962764  0.015715  0.412350  1
  Ni  Ni186  1  0.585746  0.211347  0.477745  1
  Ni  Ni187  1  0.970651  0.428929  0.445827  1
  Ni  Ni188  1  0.664637  0.279864  0.402876  1
  Ni  Ni189  1  0.279542  0.582508  0.488287  1
  Ni  Ni190  1  0.102433  0.654034  0.454662  1
  Ni  Ni191  1  0.795502  0.504243  0.411834  1
  Ni  Ni192  1  0.409618  0.799013  0.498605  1
  Ni  Ni193  1  0.138478  0.941389  0.445691  1
  Ni  Ni194  1  0.830554  0.788761  0.403199  1
  Ni  Ni195  1  0.455755  0.995166  0.467323  1
  Ni  Ni196  1  0.085064  0.786026  0.489048  1
  Ni  Ni197  1  0.776906  0.634172  0.446478  1
  Ni  Ni198  1  0.457571  0.564344  0.425666  1
  Ni  Ni199  1  0.156919  0.809526  0.411367  1
  Ni  Ni200  1  0.780158  0.007499  0.476571  1
  Ni  Ni201  1  0.477318  0.878637  0.432056  1
  Ni  Ni202  1  0.210575  0.983591  0.494766  1
  Ni  Ni203  1  0.901706  0.831114  0.451860  1
  Ni  Ni204  1  0.588236  0.670557  0.409177  1
  Ni  Ni205  1  0.031940  0.611684  0.405973  1
  Ni  Ni206  1  0.654514  0.810473  0.471244  1
  Ni  Ni207  1  0.346447  0.772691  0.448193  1
  Ni  Ni208  1  0.090538  0.262825  0.426875  1
  Ni  Ni209  1  0.713281  0.459487  0.492923  1
  Ni  Ni210  1  0.396464  0.410733  0.468589  1
  Ni  Ni211  1  0.151791  0.334242  0.472956  1
  Ni  Ni212  1  0.843151  0.180589  0.430539  1
  Ni  Ni213  1  0.537437  0.032335  0.389441  1
  Ni  Ni214  1  0.061364  0.380901  0.463317  1
  Ni  Ni215  1  0.754623  0.230350  0.420686  1
  Ni  Ni216  1  0.373011  0.532880  0.506230  1
  Ni  Ni217  1  0.179562  0.214245  0.436927  1
  Ni  Ni218  1  0.872062  0.062321  0.394303  1
  Ni  Ni219  1  0.492335  0.261112  0.459774  1
  Ni  Ni220  1  0.189365  0.599520  0.464759  1
  Ni  Ni221  1  0.882405  0.449541  0.422182  1
  Ni  Ni222  1  0.504232  0.646155  0.488182  1
  Ni  Ni223  1  0.206299  0.723775  0.579792  1
  Ni  Ni224  1  0.898617  0.572110  0.536687  1
  Ni  Ni225  1  0.590709  0.419195  0.494184  1
  Ni  Ni226  1  0.226243  0.352113  0.515553  1
  Ni  Ni227  1  0.849725  0.553014  0.581524  1
  Ni  Ni228  1  0.544335  0.405918  0.539764  1
  Ni  Ni229  1  0.878255  0.940031  0.600274  1
  Ni  Ni230  1  0.569869  0.792000  0.559384  1
  Ni  Ni231  1  0.252162  0.737273  0.534642  1
  Ni  Ni232  1  0.178966  0.092793  0.531432  1
  Ni  Ni233  1  0.800631  0.288279  0.596067  1
  Ni  Ni234  1  0.492427  0.140819  0.554534  1
  Ni  Ni235  1  0.927559  0.203246  0.585305  1
  Ni  Ni236  1  0.617333  0.051955  0.543022  1
  Ni  Ni237  1  0.303674  0.002796  0.520012  1
  Ni  Ni238  1  0.003636  0.225365  0.507750  1
  Ni  Ni239  1  0.627990  0.425910  0.574149  1
  Ni  Ni240  1  0.308515  0.372668  0.550271  1
  Ni  Ni241  1  0.099408  0.068730  0.609372  1
  Ni  Ni242  1  0.792640  0.916360  0.565984  1
  Ni  Ni243  1  0.488011  0.771031  0.524383  1
  Ni  Ni244  1  0.983012  0.344457  0.543450  1
  Ni  Ni245  1  0.676004  0.194740  0.501239  1
  Ni  Ni246  1  0.292177  0.497162  0.585859  1
  Ni  Ni247  1  0.200671  0.514749  0.563074  1
  Ni  Ni248  1  0.894555  0.365077  0.520048  1
  Ni  Ni249  1  0.516736  0.560022  0.586051  1
  Ni  Ni250  1  0.902351  0.778637  0.553662  1
  Ni  Ni251  1  0.595977  0.627880  0.511078  1
  Ni  Ni252  1  0.210883  0.931591  0.596092  1
  Ni  Ni253  1  0.034123  0.003458  0.562767  1
  Ni  Ni254  1  0.726667  0.852482  0.520121  1
  Ni  Ni255  1  0.341108  0.148073  0.607151  1
  Ni  Ni256  1  0.069832  0.291445  0.553724  1
  Ni  Ni257  1  0.762785  0.139412  0.511167  1
  Ni  Ni258  1  0.386798  0.344623  0.575944  1
  Ni  Ni259  1  0.016825  0.136072  0.596894  1
  Ni  Ni260  1  0.708414  0.984410  0.554736  1
  Ni  Ni261  1  0.388518  0.915633  0.534165  1
  Ni  Ni262  1  0.088300  0.159325  0.519464  1
  Ni  Ni263  1  0.711489  0.358552  0.584362  1
  Ni  Ni264  1  0.408113  0.229015  0.540419  1
  Ni  Ni265  1  0.142301  0.334612  0.603076  1
  Ni  Ni266  1  0.833563  0.181270  0.560072  1
  Ni  Ni267  1  0.518902  0.021170  0.517738  1
  Ni  Ni268  1  0.963580  0.961545  0.513639  1
  Ni  Ni269  1  0.585814  0.163462  0.580364  1
  Ni  Ni270  1  0.277248  0.122953  0.556667  1
  Ni  Ni271  1  0.022047  0.612998  0.535282  1
  Ni  Ni272  1  0.643856  0.808961  0.601435  1
  Ni  Ni273  1  0.327898  0.761254  0.576943  1
  Ni  Ni274  1  0.083067  0.684985  0.581608  1
  Ni  Ni275  1  0.774997  0.530584  0.538790  1
  Ni  Ni276  1  0.469011  0.382879  0.497405  1
  Ni  Ni277  1  0.992727  0.730616  0.571314  1
  Ni  Ni278  1  0.685706  0.579613  0.529121  1
  Ni  Ni279  1  0.304466  0.883132  0.614484  1
  Ni  Ni280  1  0.110770  0.564019  0.545190  1
  Ni  Ni281  1  0.803953  0.412737  0.502442  1
  Ni  Ni282  1  0.423806  0.611547  0.568390  1
  Ni  Ni283  1  0.120381  0.948949  0.573181  1
  Ni  Ni284  1  0.813456  0.798214  0.530255  1
  Ni  Ni285  1  0.434724  0.995196  0.596931  1
  Ni  Ni286  1  0.134398  0.075768  0.692045  1
  Ni  Ni287  1  0.829416  0.923375  0.645435  1
  Ni  Ni288  1  0.520920  0.765178  0.603248  1
  Ni  Ni289  1  0.158546  0.701830  0.622792  1
  Ni  Ni290  1  0.781174  0.901105  0.689847  1
  Ni  Ni291  1  0.474279  0.758594  0.649348  1
  Ni  Ni292  1  0.810227  0.288745  0.705469  1
  Ni  Ni293  1  0.495059  0.143900  0.671954  1
  Ni  Ni294  1  0.181569  0.090422  0.645799  1
  Ni  Ni295  1  0.112420  0.445859  0.639607  1
  Ni  Ni296  1  0.727906  0.629506  0.704173  1
  Ni  Ni297  1  0.418648  0.487142  0.661662  1
  Ni  Ni298  1  0.859129  0.553277  0.694108  1
  Ni  Ni299  1  0.546403  0.401946  0.653091  1
  Ni  Ni300  1  0.235815  0.355161  0.628392  1
  Ni  Ni301  1  0.935641  0.576683  0.615827  1
  Ni  Ni302  1  0.558880  0.782202  0.681960  1
  Ni  Ni303  1  0.241454  0.724369  0.658540  1
  Ni  Ni304  1  0.033946  0.427617  0.715181  1
  Ni  Ni305  1  0.725264  0.267218  0.672039  1
  Ni  Ni306  1  0.418519  0.120996  0.633386  1
  Ni  Ni307  1  0.914002  0.695295  0.652093  1
  Ni  Ni308  1  0.605896  0.542282  0.609817  1
  Ni  Ni309  1  0.223668  0.854155  0.695622  1
  Ni  Ni310  1  0.130393  0.873043  0.673638  1
  Ni  Ni311  1  0.825349  0.716507  0.628536  1
  Ni  Ni312  1  0.453072  0.900497  0.692736  1
  Ni  Ni313  1  0.833502  0.130037  0.662439  1
  Ni  Ni314  1  0.527124  0.974608  0.618673  1
  Ni  Ni315  1  0.147363  0.299233  0.705186  1
  Ni  Ni316  1  0.965990  0.356015  0.670740  1
  Ni  Ni317  1  0.658360  0.205237  0.627715  1
  Ni  Ni318  1  0.279209  0.502512  0.716414  1
  Ni  Ni319  1  1.001511  0.646512  0.662604  1
  Ni  Ni320  1  0.692146  0.485105  0.619652  1
  Ni  Ni321  1  0.321220  0.694166  0.684785  1
  Ni  Ni322  1  0.951333  0.496704  0.704393  1
  Ni  Ni323  1  0.638500  0.335268  0.665403  1
  Ni  Ni324  1  0.317913  0.256547  0.643339  1
  Ni  Ni325  1  0.019150  0.509928  0.627204  1
  Ni  Ni326  1  0.642963  0.710483  0.691166  1
  Ni  Ni327  1  0.341071  0.584102  0.649935  1
  Ni  Ni328  1  0.085580  0.698462  0.711247  1
  Ni  Ni329  1  0.767245  0.533162  0.667362  1
  Ni  Ni330  1  0.450691  0.373290  0.625951  1
  Ni  Ni331  1  0.894797  0.309497  0.621188  1
  Ni  Ni332  1  0.510262  0.516443  0.689123  1
  Ni  Ni333  1  0.208663  0.475782  0.665822  1
  Ni  Ni334  1  0.952749  0.962354  0.643829  1
  Ni  Ni335  1  0.570410  0.162590  0.708818  1
  Ni  Ni336  1  0.257445  0.108487  0.687422  1
  Ni  Ni337  1  0.015225  0.049431  0.690110  1
  Ni  Ni338  1  0.705338  0.879612  0.647740  1
  Ni  Ni339  1  0.399974  0.733199  0.606142  1
  Ni  Ni340  1  0.925202  0.087375  0.678915  1
  Ni  Ni341  1  0.617241  0.930841  0.637978  1
  Ni  Ni342  1  0.240918  0.248516  0.723148  1
  Ni  Ni343  1  0.041677  0.918594  0.655506  1
  Ni  Ni344  1  0.733976  0.760848  0.610990  1
  Ni  Ni345  1  0.351055  0.950213  0.681985  1
  Ni  Ni346  1  0.058100  0.314769  0.681822  1
  Ni  Ni347  1  0.745048  0.147488  0.638177  1
  Ni  Ni348  1  0.368705  0.351660  0.705829  1
