# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.78470025
_cell_length_b   12.55047803
_cell_length_c   56.25663073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.78743250
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10851.1790751
_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  0.638757  0.333971  0.386857  1
  Zr  Zr2  1  0.138757  0.333971  0.386857  1
  Zr  Zr3  1  0.723570  0.682415  0.315094  1
  Zr  Zr4  1  0.223570  0.682415  0.315094  1
  Zr  Zr5  1  0.237431  0.109729  0.330003  1
  Zr  Zr6  1  0.737431  0.109729  0.330003  1
  Zr  Zr7  1  0.154781  0.765712  0.400014  1
  Zr  Zr8  1  0.654781  0.765712  0.400014  1
  Zr  Zr9  1  0.365058  0.959375  0.393139  1
  Zr  Zr10  1  0.865058  0.959375  0.393139  1
  Zr  Zr11  1  0.445961  0.306383  0.319430  1
  Zr  Zr12  1  0.945961  0.306383  0.319430  1
  Zr  Zr13  1  0.515381  0.482155  0.323852  1
  Zr  Zr14  1  0.015381  0.482155  0.323852  1
  Zr  Zr15  1  0.427617  0.140115  0.392190  1
  Zr  Zr16  1  0.927617  0.140115  0.392190  1
  Zr  Zr17  1  0.486595  0.777158  0.339877  1
  Zr  Zr18  1  0.986595  0.777158  0.339877  1
  Zr  Zr19  1  0.404113  0.430766  0.410194  1
  Zr  Zr20  1  0.904113  0.430766  0.410194  1
  Zr  Zr21  1  0.387965  0.669436  0.376509  1
  Zr  Zr22  1  0.887965  0.669436  0.376509  1
  Zr  Zr23  1  0.465733  0.023095  0.306257  1
  Zr  Zr24  1  0.965733  0.023095  0.306257  1
  Zr  Zr25  1  0.155084  0.103402  0.422897  1
  Zr  Zr26  1  0.655084  0.103402  0.422897  1
  Zr  Zr27  1  0.239121  0.450848  0.351876  1
  Zr  Zr28  1  0.739121  0.450848  0.351876  1
  Zr  Zr29  1  0.712606  0.353572  0.294569  1
  Zr  Zr30  1  0.212606  0.353572  0.294569  1
  Zr  Zr31  1  0.636054  0.995879  0.362851  1
  Zr  Zr32  1  0.136054  0.995879  0.362851  1
  Zr  Zr33  1  0.470574  0.638234  0.528022  1
  Zr  Zr34  1  0.970574  0.638234  0.528022  1
  Zr  Zr35  1  0.554797  0.986120  0.456996  1
  Zr  Zr36  1  0.054797  0.986120  0.456996  1
  Zr  Zr37  1  0.070830  0.417868  0.471235  1
  Zr  Zr38  1  0.570830  0.417868  0.471235  1
  Zr  Zr39  1  0.986606  0.069982  0.542262  1
  Zr  Zr40  1  0.486606  0.069982  0.542262  1
  Zr  Zr41  1  0.199013  0.262979  0.535602  1
  Zr  Zr42  1  0.699013  0.262979  0.535602  1
  Zr  Zr43  1  0.283011  0.611160  0.464782  1
  Zr  Zr44  1  0.783011  0.611160  0.464782  1
  Zr  Zr45  1  0.342390  0.793124  0.463656  1
  Zr  Zr46  1  0.842390  0.793124  0.463656  1
  Zr  Zr47  1  0.258392  0.444942  0.534475  1
  Zr  Zr48  1  0.758392  0.444942  0.534475  1
  Zr  Zr49  1  0.320200  0.083590  0.481118  1
  Zr  Zr50  1  0.820200  0.083590  0.481118  1
  Zr  Zr51  1  0.235780  0.735556  0.552054  1
  Zr  Zr52  1  0.735780  0.735556  0.552054  1
  Zr  Zr53  1  0.221203  0.972512  0.518139  1
  Zr  Zr54  1  0.721203  0.972512  0.518139  1
  Zr  Zr55  1  0.305624  0.320546  0.447203  1
  Zr  Zr56  1  0.805624  0.320546  0.447203  1
  Zr  Zr57  1  0.986721  0.407417  0.564590  1
  Zr  Zr58  1  0.486721  0.407417  0.564590  1
  Zr  Zr59  1  0.070599  0.756213  0.493593  1
  Zr  Zr60  1  0.570599  0.756213  0.493593  1
  Zr  Zr61  1  0.554683  0.648685  0.434667  1
  Zr  Zr62  1  0.054683  0.648685  0.434667  1
  Zr  Zr63  1  0.470804  0.299889  0.505664  1
  Zr  Zr64  1  0.970804  0.299889  0.505664  1
  Zr  Zr65  1  0.303972  0.946373  0.669254  1
  Zr  Zr66  1  0.803972  0.946373  0.669254  1
  Zr  Zr67  1  0.386622  0.290390  0.599244  1
  Zr  Zr68  1  0.886622  0.290390  0.599244  1
  Zr  Zr69  1  0.902646  0.722131  0.612401  1
  Zr  Zr70  1  0.402646  0.722131  0.612401  1
  Zr  Zr71  1  0.817833  0.373687  0.684164  1
  Zr  Zr72  1  0.317833  0.373687  0.684164  1
  Zr  Zr73  1  0.026023  0.573947  0.675406  1
  Zr  Zr74  1  0.526023  0.573947  0.675406  1
  Zr  Zr75  1  0.113786  0.915987  0.607067  1
  Zr  Zr76  1  0.613786  0.915987  0.607067  1
  Zr  Zr77  1  0.176345  0.096727  0.606118  1
  Zr  Zr78  1  0.676345  0.096727  0.606118  1
  Zr  Zr79  1  0.095443  0.749719  0.679828  1
  Zr  Zr80  1  0.595443  0.749719  0.679828  1
  Zr  Zr81  1  0.153438  0.386666  0.622749  1
  Zr  Zr82  1  0.653438  0.386666  0.622749  1
  Zr  Zr83  1  0.075670  0.033007  0.693000  1
  Zr  Zr84  1  0.575670  0.033007  0.693000  1
  Zr  Zr85  1  0.054809  0.278944  0.659380  1
  Zr  Zr86  1  0.554809  0.278944  0.659380  1
  Zr  Zr87  1  0.137291  0.625337  0.589063  1
  Zr  Zr88  1  0.637291  0.625337  0.589063  1
  Zr  Zr89  1  0.828797  0.702530  0.704688  1
  Zr  Zr90  1  0.328797  0.702530  0.704688  1
  Zr  Zr91  1  0.905349  0.060223  0.636407  1
  Zr  Zr92  1  0.405349  0.060223  0.636407  1
  Zr  Zr93  1  0.386320  0.952700  0.576360  1
  Zr  Zr94  1  0.886320  0.952700  0.576360  1
  Zr  Zr95  1  0.302283  0.605255  0.647381  1
  Zr  Zr96  1  0.802283  0.605255  0.647381  1
  Ni  Ni97  1  0.229533  0.894286  0.320307  1
  Ni  Ni98  1  0.729533  0.894286  0.320307  1
  Ni  Ni99  1  0.147704  0.549846  0.393352  1
  Ni  Ni100  1  0.647704  0.549846  0.393352  1
  Ni  Ni101  1  0.559575  0.551995  0.359998  1
  Ni  Ni102  1  0.059575  0.551995  0.359998  1
  Ni  Ni103  1  0.629845  0.898786  0.288817  1
  Ni  Ni104  1  0.129845  0.898786  0.288817  1
  Ni  Ni105  1  0.315450  0.894773  0.354561  1
  Ni  Ni106  1  0.815450  0.894773  0.354561  1
  Ni  Ni107  1  0.235008  0.546712  0.426774  1
  Ni  Ni108  1  0.735008  0.546712  0.426774  1
  Ni  Ni109  1  0.665998  0.339047  0.338230  1
  Ni  Ni110  1  0.165998  0.339047  0.338230  1
  Ni  Ni111  1  0.578778  0.997594  0.408367  1
  Ni  Ni112  1  0.078778  0.997594  0.408367  1
  Ni  Ni113  1  0.211143  0.103494  0.377660  1
  Ni  Ni114  1  0.711143  0.103494  0.377660  1
  Ni  Ni115  1  0.292289  0.452039  0.308781  1
  Ni  Ni116  1  0.792289  0.452039  0.308781  1
  Ni  Ni117  1  0.554509  0.783869  0.298988  1
  Ni  Ni118  1  0.054509  0.783869  0.298988  1
  Ni  Ni119  1  0.482324  0.429588  0.368208  1
  Ni  Ni120  1  0.982324  0.429588  0.368208  1
  Ni  Ni121  1  0.310188  0.670832  0.418973  1
  Ni  Ni122  1  0.810188  0.670832  0.418973  1
  Ni  Ni123  1  0.393679  0.017008  0.346910  1
  Ni  Ni124  1  0.893679  0.017008  0.346910  1
  Ni  Ni125  1  0.268898  0.185648  0.413543  1
  Ni  Ni126  1  0.768898  0.185648  0.413543  1
  Ni  Ni127  1  0.353620  0.530788  0.342332  1
  Ni  Ni128  1  0.853620  0.530788  0.342332  1
  Ni  Ni129  1  0.368132  0.707475  0.328010  1
  Ni  Ni130  1  0.868132  0.707475  0.328010  1
  Ni  Ni131  1  0.286908  0.362398  0.398933  1
  Ni  Ni132  1  0.786908  0.362398  0.398933  1
  Ni  Ni133  1  0.508428  0.735914  0.387724  1
  Ni  Ni134  1  0.008428  0.735914  0.387724  1
  Ni  Ni135  1  0.590535  0.082451  0.315618  1
  Ni  Ni136  1  0.090535  0.082451  0.315618  1
  Ni  Ni137  1  0.401130  0.769546  0.420105  1
  Ni  Ni138  1  0.901130  0.769546  0.420105  1
  Ni  Ni139  1  0.483492  0.118590  0.347773  1
  Ni  Ni140  1  0.983492  0.118590  0.347773  1
  Ni  Ni141  1  0.474174  0.670237  0.297123  1
  Ni  Ni142  1  0.974174  0.670237  0.297123  1
  Ni  Ni143  1  0.394036  0.328971  0.365008  1
  Ni  Ni144  1  0.894036  0.328971  0.365008  1
  Ni  Ni145  1  0.253445  0.880007  0.397049  1
  Ni  Ni146  1  0.753445  0.880007  0.397049  1
  Ni  Ni147  1  0.334092  0.229466  0.326777  1
  Ni  Ni148  1  0.834092  0.229466  0.326777  1
  Ni  Ni149  1  0.623809  0.572694  0.318863  1
  Ni  Ni150  1  0.123809  0.572694  0.318863  1
  Ni  Ni151  1  0.539186  0.220293  0.389360  1
  Ni  Ni152  1  0.039186  0.220293  0.389360  1
  Ni  Ni153  1  0.384921  0.547560  0.297377  1
  Ni  Ni154  1  0.884921  0.547560  0.297377  1
  Ni  Ni155  1  0.294719  0.209949  0.367534  1
  Ni  Ni156  1  0.794719  0.209949  0.367534  1
  Ni  Ni157  1  0.498832  0.887320  0.419174  1
  Ni  Ni158  1  -0.001168  0.887320  0.419174  1
  Ni  Ni159  1  0.576210  0.236985  0.347749  1
  Ni  Ni160  1  0.076210  0.236985  0.347749  1
  Ni  Ni161  1  0.239972  0.759969  0.356993  1
  Ni  Ni162  1  0.739972  0.759969  0.356993  1
  Ni  Ni163  1  0.304584  0.117861  0.291067  1
  Ni  Ni164  1  0.804584  0.117861  0.291067  1
  Ni  Ni165  1  0.636733  0.688035  0.357118  1
  Ni  Ni166  1  0.136733  0.688035  0.357118  1
  Ni  Ni167  1  0.552496  0.339868  0.428504  1
  Ni  Ni168  1  0.052496  0.339868  0.428504  1
  Ni  Ni169  1  0.511843  0.535803  0.404536  1
  Ni  Ni170  1  0.011843  0.535803  0.404536  1
  Ni  Ni171  1  0.592669  0.884191  0.332563  1
  Ni  Ni172  1  0.092669  0.884191  0.332563  1
  Ni  Ni173  1  0.368950  0.901888  0.309810  1
  Ni  Ni174  1  0.868950  0.901888  0.309810  1
  Ni  Ni175  1  0.282150  0.564132  0.381920  1
  Ni  Ni176  1  0.782150  0.564132  0.381920  1
  Ni  Ni177  1  0.608931  0.261549  0.303115  1
  Ni  Ni178  1  0.108931  0.261549  0.303115  1
  Ni  Ni179  1  0.523658  0.914229  0.372739  1
  Ni  Ni180  1  0.023658  0.914229  0.372739  1
  Ni  Ni181  1  0.062615  0.202032  0.464186  1
  Ni  Ni182  1  0.562615  0.202032  0.464186  1
  Ni  Ni183  1  0.978788  0.854070  0.535071  1
  Ni  Ni184  1  0.478788  0.854070  0.535071  1
  Ni  Ni185  1  0.390753  0.857161  0.501514  1
  Ni  Ni186  1  0.890753  0.857161  0.501514  1
  Ni  Ni187  1  0.475008  0.204495  0.430504  1
  Ni  Ni188  1  0.975008  0.204495  0.430504  1
  Ni  Ni189  1  0.150650  0.198942  0.497743  1
  Ni  Ni190  1  0.650650  0.198942  0.497743  1
  Ni  Ni191  1  0.066395  0.851607  0.568754  1
  Ni  Ni192  1  0.566395  0.851607  0.568754  1
  Ni  Ni193  1  0.493616  0.650365  0.479515  1
  Ni  Ni194  1  -0.006384  0.650365  0.479515  1
  Ni  Ni195  1  0.409406  0.301992  0.550657  1
  Ni  Ni196  1  0.909406  0.301992  0.550657  1
  Ni  Ni197  1  0.047788  0.405737  0.519743  1
  Ni  Ni198  1  0.547788  0.405737  0.519743  1
  Ni  Ni199  1  0.131997  0.754110  0.448600  1
  Ni  Ni200  1  0.631997  0.754110  0.448600  1
  Ni  Ni201  1  0.399287  0.081372  0.438340  1
  Ni  Ni202  1  0.899287  0.081372  0.438340  1
  Ni  Ni203  1  0.314954  0.733217  0.509430  1
  Ni  Ni204  1  0.814954  0.733217  0.509430  1
  Ni  Ni205  1  0.142116  0.974731  0.560917  1
  Ni  Ni206  1  0.642116  0.974731  0.560917  1
  Ni  Ni207  1  0.226450  0.322885  0.489827  1
  Ni  Ni208  1  0.726450  0.322885  0.489827  1
  Ni  Ni209  1  0.100299  0.490526  0.555343  1
  Ni  Ni210  1  0.600299  0.490526  0.555343  1
  Ni  Ni211  1  0.183999  0.838838  0.484449  1
  Ni  Ni212  1  0.683999  0.838838  0.484449  1
  Ni  Ni213  1  0.201687  0.015608  0.470047  1
  Ni  Ni214  1  0.701687  0.015608  0.470047  1
  Ni  Ni215  1  0.117490  0.667704  0.540965  1
  Ni  Ni216  1  0.617490  0.667704  0.540965  1
  Ni  Ni217  1  0.339716  0.040494  0.529210  1
  Ni  Ni218  1  0.839716  0.040494  0.529210  1
  Ni  Ni219  1  0.423913  0.388398  0.458293  1
  Ni  Ni220  1  0.923913  0.388398  0.458293  1
  Ni  Ni221  1  0.233156  0.072633  0.561895  1
  Ni  Ni222  1  0.733156  0.072633  0.561895  1
  Ni  Ni223  1  0.317958  0.420562  0.490991  1
  Ni  Ni224  1  0.817958  0.420562  0.490991  1
  Ni  Ni225  1  0.308247  0.983469  0.437363  1
  Ni  Ni226  1  0.808247  0.983469  0.437363  1
  Ni  Ni227  1  0.223446  0.635540  0.508267  1
  Ni  Ni228  1  0.723446  0.635540  0.508267  1
  Ni  Ni229  1  0.086717  0.183224  0.539396  1
  Ni  Ni230  1  0.586717  0.183224  0.539396  1
  Ni  Ni231  1  0.171126  0.531401  0.468429  1
  Ni  Ni232  1  0.671126  0.531401  0.468429  1
  Ni  Ni233  1  0.454686  0.872878  0.459861  1
  Ni  Ni234  1  0.954686  0.872878  0.459861  1
  Ni  Ni235  1  0.370278  0.524701  0.530828  1
  Ni  Ni236  1  0.870278  0.524701  0.530828  1
  Ni  Ni237  1  0.210235  0.865880  0.437903  1
  Ni  Ni238  1  0.710235  0.865880  0.437903  1
  Ni  Ni239  1  0.125615  0.517966  0.508899  1
  Ni  Ni240  1  0.625615  0.517966  0.508899  1
  Ni  Ni241  1  0.331169  0.190222  0.561354  1
  Ni  Ni242  1  0.831169  0.190222  0.561354  1
  Ni  Ni243  1  0.415788  0.538137  0.490358  1
  Ni  Ni244  1  0.915788  0.538137  0.490358  1
  Ni  Ni245  1  0.072685  0.064446  0.499944  1
  Ni  Ni246  1  0.572685  0.064446  0.499944  1
  Ni  Ni247  1  0.157231  0.412546  0.429126  1
  Ni  Ni248  1  0.657231  0.412546  0.429126  1
  Ni  Ni249  1  0.468718  0.991656  0.499313  1
  Ni  Ni250  1  0.968718  0.991656  0.499313  1
  Ni  Ni251  1  0.384172  0.643556  0.570131  1
  Ni  Ni252  1  0.884172  0.643556  0.570131  1
  Ni  Ni253  1  0.343845  0.839376  0.546275  1
  Ni  Ni254  1  0.843845  0.839376  0.546275  1
  Ni  Ni255  1  0.428007  0.187281  0.475226  1
  Ni  Ni256  1  0.928007  0.187281  0.475226  1
  Ni  Ni257  1  0.197558  0.216726  0.452983  1
  Ni  Ni258  1  0.697558  0.216726  0.452983  1
  Ni  Ni259  1  0.113397  0.868821  0.524031  1
  Ni  Ni260  1  0.613397  0.868821  0.524031  1
  Ni  Ni261  1  0.441104  0.565576  0.443915  1
  Ni  Ni262  1  0.941104  0.565576  0.443915  1
  Ni  Ni263  1  0.357404  0.217264  0.514808  1
  Ni  Ni264  1  0.857404  0.217264  0.514808  1
  Ni  Ni265  1  0.893699  0.506256  0.605905  1
  Ni  Ni266  1  0.393699  0.506256  0.605905  1
  Ni  Ni267  1  0.811870  0.161817  0.678950  1
  Ni  Ni268  1  0.311870  0.161817  0.678950  1
  Ni  Ni269  1  0.225953  0.161329  0.644697  1
  Ni  Ni270  1  0.725953  0.161329  0.644697  1
  Ni  Ni271  1  0.306395  0.509390  0.572484  1
  Ni  Ni272  1  0.806395  0.509390  0.572484  1
  Ni  Ni273  1  0.981828  0.504107  0.639260  1
  Ni  Ni274  1  0.481828  0.504107  0.639260  1
  Ni  Ni275  1  0.911558  0.157316  0.710440  1
  Ni  Ni276  1  0.411558  0.157316  0.710440  1
  Ni  Ni277  1  0.330261  0.952608  0.621598  1
  Ni  Ni278  1  0.830261  0.952608  0.621598  1
  Ni  Ni279  1  0.249114  0.604063  0.690476  1
  Ni  Ni280  1  0.749114  0.604063  0.690476  1
  Ni  Ni281  1  0.875405  0.717055  0.661028  1
  Ni  Ni282  1  0.375405  0.717055  0.661028  1
  Ni  Ni283  1  0.962626  0.058508  0.590890  1
  Ni  Ni284  1  0.462626  0.058508  0.590890  1
  Ni  Ni285  1  0.231216  0.385271  0.580285  1
  Ni  Ni286  1  0.731216  0.385271  0.580285  1
  Ni  Ni287  1  0.147724  0.039094  0.652347  1
  Ni  Ni288  1  0.647724  0.039094  0.652347  1
  Ni  Ni289  1  0.986894  0.272233  0.700270  1
  Ni  Ni290  1  0.486894  0.272233  0.700270  1
  Ni  Ni291  1  0.059079  0.626514  0.631050  1
  Ni  Ni292  1  0.559079  0.626514  0.631050  1
  Ni  Ni293  1  0.932472  0.794553  0.696143  1
  Ni  Ni294  1  0.432472  0.794553  0.696143  1
  Ni  Ni295  1  0.017745  0.141873  0.626519  1
  Ni  Ni296  1  0.517745  0.141873  0.626519  1
  Ni  Ni297  1  0.032976  0.320188  0.611534  1
  Ni  Ni298  1  0.532976  0.320188  0.611534  1
  Ni  Ni299  1  0.950868  0.973651  0.683640  1
  Ni  Ni300  1  0.450868  0.973651  0.683640  1
  Ni  Ni301  1  0.173271  0.348627  0.671247  1
  Ni  Ni302  1  0.673271  0.348627  0.671247  1
  Ni  Ni303  1  0.254496  0.693705  0.600325  1
  Ni  Ni304  1  0.754496  0.693705  0.600325  1
  Ni  Ni305  1  0.067230  0.385866  0.702134  1
  Ni  Ni306  1  0.567230  0.385866  0.702134  1
  Ni  Ni307  1  0.147367  0.727131  0.634250  1
  Ni  Ni308  1  0.647367  0.727131  0.634250  1
  Ni  Ni309  1  0.140273  0.286556  0.579153  1
  Ni  Ni310  1  0.640273  0.286556  0.579153  1
  Ni  Ni311  1  0.057911  0.937512  0.651484  1
  Ni  Ni312  1  0.557911  0.937512  0.651484  1
  Ni  Ni313  1  0.917594  0.483408  0.680395  1
  Ni  Ni314  1  0.417594  0.483408  0.680395  1
  Ni  Ni315  1  0.002217  0.835809  0.609898  1
  Ni  Ni316  1  0.502217  0.835809  0.609898  1
  Ni  Ni317  1  0.287958  0.176096  0.602209  1
  Ni  Ni318  1  0.787958  0.176096  0.602209  1
  Ni  Ni319  1  0.207311  0.826636  0.672480  1
  Ni  Ni320  1  0.707311  0.826636  0.672480  1
  Ni  Ni321  1  0.042572  0.168782  0.580084  1
  Ni  Ni322  1  0.542572  0.168782  0.580084  1
  Ni  Ni323  1  0.965193  0.819117  0.651509  1
  Ni  Ni324  1  0.465193  0.819117  0.651509  1
  Ni  Ni325  1  0.156482  0.508542  0.701880  1
  Ni  Ni326  1  0.656482  0.508542  0.701880  1
  Ni  Ni327  1  0.246684  0.846154  0.631724  1
  Ni  Ni328  1  0.746684  0.846154  0.631724  1
  Ni  Ni329  1  0.904671  0.368067  0.642139  1
  Ni  Ni330  1  0.404671  0.368067  0.642139  1
  Ni  Ni331  1  0.988907  0.716234  0.570753  1
  Ni  Ni332  1  0.488907  0.716234  0.570753  1
  Ni  Ni333  1  0.301431  0.296133  0.642265  1
  Ni  Ni334  1  0.801431  0.296133  0.642265  1
  Ni  Ni335  1  0.236820  0.938241  0.708191  1
  Ni  Ni336  1  0.736820  0.938241  0.708191  1
  Ni  Ni337  1  0.172453  0.154214  0.689447  1
  Ni  Ni338  1  0.672453  0.154214  0.689447  1
  Ni  Ni339  1  0.259253  0.491970  0.617337  1
  Ni  Ni340  1  0.759253  0.491970  0.617337  1
  Ni  Ni341  1  0.029560  0.520299  0.594722  1
  Ni  Ni342  1  0.529560  0.520299  0.594722  1
  Ni  Ni343  1  0.948734  0.171911  0.666694  1
  Ni  Ni344  1  0.448734  0.171911  0.666694  1
  Ni  Ni345  1  0.272505  0.870454  0.585714  1
  Ni  Ni346  1  0.772505  0.870454  0.585714  1
  Ni  Ni347  1  0.187784  0.525314  0.656926  1
  Ni  Ni348  1  0.687784  0.525314  0.656926  1
