# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.33321027
_cell_length_b   10.03179660
_cell_length_c   51.42511207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.58336111
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   9337.03089204
_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  0.294291  0.958752  0.365973  1
  Zr  Zr2  1  0.983981  0.270842  0.278634  1
  Zr  Zr3  1  0.640075  0.133202  0.315180  1
  Zr  Zr4  1  0.608874  0.767378  0.277499  1
  Zr  Zr5  1  0.260597  0.637961  0.311783  1
  Zr  Zr6  1  0.920154  0.513363  0.347202  1
  Zr  Zr7  1  0.525967  0.656513  0.352427  1
  Zr  Zr8  1  0.209407  0.969614  0.264841  1
  Zr  Zr9  1  0.878725  0.839384  0.297898  1
  Zr  Zr10  1  0.366065  0.068932  0.290048  1
  Zr  Zr11  1  0.032500  0.948020  0.325677  1
  Zr  Zr12  1  0.687056  0.810668  0.360181  1
  Zr  Zr13  1  0.534438  0.342492  0.315043  1
  Zr  Zr14  1  0.189815  0.224170  0.350572  1
  Zr  Zr15  1  0.881575  0.529498  0.263623  1
  Zr  Zr16  1  0.367965  0.373141  0.326132  1
  Zr  Zr17  1  0.025097  0.250835  0.362338  1
  Zr  Zr18  1  0.715833  0.566472  0.275339  1
  Zr  Zr19  1  0.459122  0.918529  0.356260  1
  Zr  Zr20  1  0.155479  0.250632  0.267949  1
  Zr  Zr21  1  0.809906  0.111359  0.302967  1
  Zr  Zr22  1  0.435417  0.791149  0.284917  1
  Zr  Zr23  1  0.093275  0.663928  0.320895  1
  Zr  Zr24  1  0.754284  0.552992  0.355910  1
  Zr  Zr25  1  0.262817  0.525116  0.491005  1
  Zr  Zr26  1  0.953540  0.835613  0.401614  1
  Zr  Zr27  1  0.607869  0.703426  0.438463  1
  Zr  Zr28  1  0.574483  0.334081  0.399196  1
  Zr  Zr29  1  0.229524  0.203601  0.436077  1
  Zr  Zr30  1  0.888288  0.082107  0.471126  1
  Zr  Zr31  1  0.495367  0.226016  0.477302  1
  Zr  Zr32  1  0.182900  0.526102  0.386893  1
  Zr  Zr33  1  0.846674  0.410302  0.422777  1
  Zr  Zr34  1  0.335770  0.628558  0.414538  1
  Zr  Zr35  1  0.999711  0.512220  0.450316  1
  Zr  Zr36  1  0.655224  0.380089  0.484714  1
  Zr  Zr37  1  0.501496  0.908863  0.439498  1
  Zr  Zr38  1  0.158124  0.789398  0.475315  1
  Zr  Zr39  1  0.847823  0.100387  0.386564  1
  Zr  Zr40  1  0.334841  0.938420  0.450962  1
  Zr  Zr41  1  0.993071  0.817478  0.487092  1
  Zr  Zr42  1  0.680810  0.129186  0.398092  1
  Zr  Zr43  1  0.429017  0.487496  0.481399  1
  Zr  Zr44  1  0.120905  0.806573  0.391669  1
  Zr  Zr45  1  0.777614  0.682285  0.427400  1
  Zr  Zr46  1  0.404869  0.355986  0.410012  1
  Zr  Zr47  1  0.062266  0.233373  0.445977  1
  Zr  Zr48  1  0.721862  0.119356  0.480710  1
  Zr  Zr49  1  0.230929  0.094113  0.615396  1
  Zr  Zr50  1  0.921588  0.403339  0.526368  1
  Zr  Zr51  1  0.576192  0.271802  0.562908  1
  Zr  Zr52  1  0.542939  0.902977  0.523761  1
  Zr  Zr53  1  0.197701  0.771261  0.560878  1
  Zr  Zr54  1  0.856733  0.650039  0.595601  1
  Zr  Zr55  1  0.464810  0.795843  0.602141  1
  Zr  Zr56  1  0.151384  0.095008  0.512098  1
  Zr  Zr57  1  0.815324  0.978815  0.547335  1
  Zr  Zr58  1  0.304072  0.196140  0.539364  1
  Zr  Zr59  1  0.968255  0.080721  0.575157  1
  Zr  Zr60  1  0.624752  0.950805  0.609830  1
  Zr  Zr61  1  0.469955  0.477184  0.564100  1
  Zr  Zr62  1  0.126215  0.357472  0.600345  1
  Zr  Zr63  1  0.816125  0.668510  0.511064  1
  Zr  Zr64  1  0.303115  0.506785  0.575685  1
  Zr  Zr65  1  0.961569  0.385246  0.611958  1
  Zr  Zr66  1  0.649248  0.697899  0.522578  1
  Zr  Zr67  1  0.397265  0.055740  0.606025  1
  Zr  Zr68  1  0.089006  0.374121  0.516438  1
  Zr  Zr69  1  0.745708  0.250111  0.551926  1
  Zr  Zr70  1  0.373264  0.924084  0.534789  1
  Zr  Zr71  1  0.030713  0.801492  0.570724  1
  Zr  Zr72  1  0.690117  0.687648  0.605259  1
  Zr  Zr73  1  0.191596  0.662780  0.735600  1
  Zr  Zr74  1  0.890131  0.971169  0.650643  1
  Zr  Zr75  1  0.544676  0.839242  0.687811  1
  Zr  Zr76  1  0.511217  0.470543  0.647999  1
  Zr  Zr77  1  0.164865  0.337178  0.686391  1
  Zr  Zr78  1  0.825215  0.213887  0.718545  1
  Zr  Zr79  1  0.433214  0.362973  0.724360  1
  Zr  Zr80  1  0.119493  0.661189  0.636781  1
  Zr  Zr81  1  0.783067  0.544522  0.671466  1
  Zr  Zr82  1  0.273160  0.769096  0.665028  1
  Zr  Zr83  1  0.935245  0.648954  0.700041  1
  Zr  Zr84  1  0.594693  0.507173  0.731612  1
  Zr  Zr85  1  0.437588  0.044990  0.688760  1
  Zr  Zr86  1  0.092502  0.913001  0.724742  1
  Zr  Zr87  1  0.784180  0.234609  0.635523  1
  Zr  Zr88  1  0.273205  0.075205  0.699934  1
  Zr  Zr89  1  0.926416  0.948841  0.734729  1
  Zr  Zr90  1  0.617835  0.263257  0.647134  1
  Zr  Zr91  1  0.359933  0.613549  0.729229  1
  Zr  Zr92  1  0.057138  0.941898  0.641327  1
  Zr  Zr93  1  0.713981  0.816869  0.676906  1
  Zr  Zr94  1  0.341661  0.495451  0.659478  1
  Zr  Zr95  1  0.996988  0.365990  0.695664  1
  Zr  Zr96  1  0.659796  0.255997  0.727850  1
  Ni  Ni97  1  0.474648  0.597249  0.256792  1
  Ni  Ni98  1  0.121328  0.457551  0.290557  1
  Ni  Ni99  1  0.780211  0.327891  0.328681  1
  Ni  Ni100  1  0.410471  0.144083  0.336556  1
  Ni  Ni101  1  0.070203  0.023045  0.373109  1
  Ni  Ni102  1  0.758445  0.329829  0.282856  1
  Ni  Ni103  1  0.488420  0.576133  0.302988  1
  Ni  Ni104  1  0.144307  0.451935  0.338551  1
  Ni  Ni105  1  0.835175  0.745711  0.251309  1
  Ni  Ni106  1  0.354812  0.875121  0.322939  1
  Ni  Ni107  1  0.014921  0.754159  0.359563  1
  Ni  Ni108  1  0.700196  0.062309  0.271085  1
  Ni  Ni109  1  0.544690  0.845260  0.316790  1
  Ni  Ni110  1  0.199562  0.719926  0.353307  1
  Ni  Ni111  1  0.893049  0.020231  0.262993  1
  Ni  Ni112  1  0.627425  0.277049  0.275158  1
  Ni  Ni113  1  0.277815  0.111237  0.325682  1
  Ni  Ni114  1  0.937775  0.987686  0.361978  1
  Ni  Ni115  1  0.277411  0.484954  0.351263  1
  Ni  Ni116  1  0.968140  0.795278  0.262941  1
  Ni  Ni117  1  0.621933  0.620684  0.315381  1
  Ni  Ni118  1  0.600782  0.977807  0.357011  1
  Ni  Ni119  1  0.286913  0.239274  0.282336  1
  Ni  Ni120  1  0.945585  0.105142  0.317632  1
  Ni  Ni121  1  0.428429  0.350151  0.278300  1
  Ni  Ni122  1  0.084487  0.228368  0.313628  1
  Ni  Ni123  1  0.740229  0.094821  0.351650  1
  Ni  Ni124  1  0.474532  0.374086  0.361758  1
  Ni  Ni125  1  0.165090  0.693572  0.272732  1
  Ni  Ni126  1  0.823393  0.563000  0.308204  1
  Ni  Ni127  1  0.394048  0.524559  0.373150  1
  Ni  Ni128  1  0.085503  0.838604  0.285487  1
  Ni  Ni129  1  0.750106  0.729516  0.317264  1
  Ni  Ni130  1  0.497974  0.174624  0.270690  1
  Ni  Ni131  1  0.162808  0.077705  0.303403  1
  Ni  Ni132  1  0.821393  0.946912  0.339795  1
  Ni  Ni133  1  0.398121  0.658803  0.330128  1
  Ni  Ni134  1  0.058303  0.539969  0.366987  1
  Ni  Ni135  1  0.757294  0.866336  0.275669  1
  Ni  Ni136  1  0.491362  0.043912  0.311027  1
  Ni  Ni137  1  0.156138  0.933672  0.345728  1
  Ni  Ni138  1  0.843829  0.232573  0.258984  1
  Ni  Ni139  1  0.328102  0.722507  0.367497  1
  Ni  Ni140  1  0.026624  0.037727  0.280010  1
  Ni  Ni141  1  0.682151  0.909221  0.315482  1
  Ni  Ni142  1  0.564524  0.994072  0.273874  1
  Ni  Ni143  1  0.224885  0.873193  0.309425  1
  Ni  Ni144  1  0.887371  0.750746  0.345180  1
  Ni  Ni145  1  0.353363  0.515459  0.285855  1
  Ni  Ni146  1  0.009256  0.395311  0.322549  1
  Ni  Ni147  1  0.671025  0.285009  0.359351  1
  Ni  Ni148  1  0.543744  0.185728  0.354143  1
  Ni  Ni149  1  0.242545  0.530594  0.265685  1
  Ni  Ni150  1  0.895765  0.389171  0.300659  1
  Ni  Ni151  1  0.331111  0.234675  0.369450  1
  Ni  Ni152  1  0.020338  0.556505  0.277985  1
  Ni  Ni153  1  0.679655  0.423761  0.316035  1
  Ni  Ni154  1  0.566250  0.473902  0.271742  1
  Ni  Ni155  1  0.226437  0.367878  0.307274  1
  Ni  Ni156  1  0.884350  0.237169  0.343073  1
  Ni  Ni157  1  0.301368  0.807021  0.272820  1
  Ni  Ni158  1  0.961554  0.677935  0.306837  1
  Ni  Ni159  1  0.612710  0.487886  0.356869  1
  Ni  Ni160  1  0.434280  0.142391  0.383264  1
  Ni  Ni161  1  0.091524  0.019324  0.419072  1
  Ni  Ni162  1  0.747723  0.894914  0.453911  1
  Ni  Ni163  1  0.378876  0.710634  0.461899  1
  Ni  Ni164  1  0.038352  0.590793  0.497487  1
  Ni  Ni165  1  0.726015  0.898287  0.407886  1
  Ni  Ni166  1  0.456470  0.140049  0.429399  1
  Ni  Ni167  1  0.112847  0.016175  0.464988  1
  Ni  Ni168  1  0.803796  0.327857  0.375402  1
  Ni  Ni169  1  0.322790  0.440254  0.449205  1
  Ni  Ni170  1  0.981770  0.320932  0.484533  1
  Ni  Ni171  1  0.667353  0.623258  0.396153  1
  Ni  Ni172  1  0.515322  0.415096  0.441541  1
  Ni  Ni173  1  0.169184  0.286225  0.477867  1
  Ni  Ni174  1  0.859789  0.598803  0.388515  1
  Ni  Ni175  1  0.592599  0.845171  0.398006  1
  Ni  Ni176  1  0.246463  0.674895  0.451035  1
  Ni  Ni177  1  0.905488  0.553762  0.486510  1
  Ni  Ni178  1  0.245583  0.052761  0.475909  1
  Ni  Ni179  1  0.936476  0.363645  0.386806  1
  Ni  Ni180  1  0.590094  0.191369  0.439754  1
  Ni  Ni181  1  0.570148  0.550040  0.481074  1
  Ni  Ni182  1  0.253747  0.792899  0.406761  1
  Ni  Ni183  1  0.912874  0.672491  0.442676  1
  Ni  Ni184  1  0.392363  0.909592  0.403989  1
  Ni  Ni185  1  0.051690  0.786952  0.439644  1
  Ni  Ni186  1  0.708089  0.663321  0.476122  1
  Ni  Ni187  1  0.442705  0.942939  0.486007  1
  Ni  Ni188  1  0.131272  0.251665  0.398258  1
  Ni  Ni189  1  0.789830  0.128699  0.433405  1
  Ni  Ni190  1  0.362323  0.090864  0.497855  1
  Ni  Ni191  1  0.052752  0.404447  0.409248  1
  Ni  Ni192  1  0.718306  0.292580  0.442939  1
  Ni  Ni193  1  0.464634  0.747625  0.394443  1
  Ni  Ni194  1  0.130627  0.635109  0.428405  1
  Ni  Ni195  1  0.788615  0.515375  0.464345  1
  Ni  Ni196  1  0.367221  0.226322  0.455973  1
  Ni  Ni197  1  0.026448  0.108189  0.491609  1
  Ni  Ni198  1  0.723210  0.428118  0.401998  1
  Ni  Ni199  1  0.459268  0.610427  0.435297  1
  Ni  Ni200  1  0.124807  0.499377  0.470680  1
  Ni  Ni201  1  0.816183  0.813232  0.381705  1
  Ni  Ni202  1  0.296854  0.289112  0.492797  1
  Ni  Ni203  1  0.988389  0.602099  0.403409  1
  Ni  Ni204  1  0.650598  0.475261  0.440581  1
  Ni  Ni205  1  0.532175  0.563306  0.396830  1
  Ni  Ni206  1  0.194584  0.437633  0.434050  1
  Ni  Ni207  1  0.854213  0.318018  0.469374  1
  Ni  Ni208  1  0.319341  0.082362  0.412285  1
  Ni  Ni209  1  0.976098  0.957271  0.447989  1
  Ni  Ni210  1  0.638705  0.851811  0.483805  1
  Ni  Ni211  1  0.512143  0.754785  0.478324  1
  Ni  Ni212  1  0.206858  0.082636  0.389752  1
  Ni  Ni213  1  0.863306  0.956311  0.425171  1
  Ni  Ni214  1  0.299461  0.801903  0.494300  1
  Ni  Ni215  1  0.988351  0.111580  0.405567  1
  Ni  Ni216  1  0.647211  0.992241  0.440866  1
  Ni  Ni217  1  0.534684  0.044084  0.396666  1
  Ni  Ni218  1  0.194627  0.927589  0.432219  1
  Ni  Ni219  1  0.851557  0.804918  0.467824  1
  Ni  Ni220  1  0.270048  0.366281  0.395144  1
  Ni  Ni221  1  0.928957  0.246288  0.430651  1
  Ni  Ni222  1  0.580577  0.056157  0.481058  1
  Ni  Ni223  1  0.403195  0.711599  0.508258  1
  Ni  Ni224  1  0.059713  0.587633  0.543500  1
  Ni  Ni225  1  0.716119  0.463961  0.578254  1
  Ni  Ni226  1  0.346976  0.279478  0.586506  1
  Ni  Ni227  1  0.006803  0.158169  0.622847  1
  Ni  Ni228  1  0.694232  0.466752  0.532389  1
  Ni  Ni229  1  0.425091  0.708471  0.554343  1
  Ni  Ni230  1  0.081019  0.584444  0.589544  1
  Ni  Ni231  1  0.772064  0.896041  0.500175  1
  Ni  Ni232  1  0.291234  0.008033  0.573914  1
  Ni  Ni233  1  0.950460  0.888529  0.609074  1
  Ni  Ni234  1  0.635229  0.191430  0.520531  1
  Ni  Ni235  1  0.483535  0.983366  0.566180  1
  Ni  Ni236  1  0.137116  0.853746  0.602914  1
  Ni  Ni237  1  0.828539  0.167065  0.512812  1
  Ni  Ni238  1  0.560584  0.414799  0.522329  1
  Ni  Ni239  1  0.214391  0.243632  0.575671  1
  Ni  Ni240  1  0.874122  0.121844  0.610975  1
  Ni  Ni241  1  0.213637  0.619713  0.600746  1
  Ni  Ni242  1  0.904830  0.932946  0.510981  1
  Ni  Ni243  1  0.558675  0.760319  0.564433  1
  Ni  Ni244  1  0.538446  0.118699  0.605607  1
  Ni  Ni245  1  0.222155  0.361166  0.531629  1
  Ni  Ni246  1  0.881306  0.240707  0.567329  1
  Ni  Ni247  1  0.361165  0.478042  0.528847  1
  Ni  Ni248  1  0.019935  0.355466  0.564347  1
  Ni  Ni249  1  0.676529  0.232341  0.600338  1
  Ni  Ni250  1  0.411077  0.512773  0.610558  1
  Ni  Ni251  1  0.099571  0.820021  0.522774  1
  Ni  Ni252  1  0.758248  0.697397  0.557862  1
  Ni  Ni253  1  0.330107  0.659822  0.622529  1
  Ni  Ni254  1  0.020788  0.972594  0.533805  1
  Ni  Ni255  1  0.686749  0.861032  0.567582  1
  Ni  Ni256  1  0.432430  0.314072  0.519150  1
  Ni  Ni257  1  0.098510  0.203159  0.553256  1
  Ni  Ni258  1  0.757199  0.083523  0.588803  1
  Ni  Ni259  1  0.335647  0.794326  0.580776  1
  Ni  Ni260  1  0.995087  0.675787  0.616494  1
  Ni  Ni261  1  0.691594  0.996466  0.526690  1
  Ni  Ni262  1  0.427654  0.178712  0.560074  1
  Ni  Ni263  1  0.092903  0.067291  0.595557  1
  Ni  Ni264  1  0.783694  0.380282  0.506131  1
  Ni  Ni265  1  0.264858  0.856518  0.617398  1
  Ni  Ni266  1  0.956710  0.169877  0.528250  1
  Ni  Ni267  1  0.618634  0.042988  0.565307  1
  Ni  Ni268  1  0.500045  0.131046  0.521496  1
  Ni  Ni269  1  0.162863  0.005199  0.558972  1
  Ni  Ni270  1  0.822711  0.886000  0.593936  1
  Ni  Ni271  1  0.287809  0.650715  0.537120  1
  Ni  Ni272  1  0.944445  0.525366  0.572709  1
  Ni  Ni273  1  0.606972  0.419481  0.608205  1
  Ni  Ni274  1  0.480326  0.323354  0.602857  1
  Ni  Ni275  1  0.175100  0.649687  0.514454  1
  Ni  Ni276  1  0.831496  0.524217  0.549632  1
  Ni  Ni277  1  0.267116  0.371321  0.619000  1
  Ni  Ni278  1  0.956627  0.679178  0.530198  1
  Ni  Ni279  1  0.615576  0.561054  0.565327  1
  Ni  Ni280  1  0.503701  0.614251  0.521344  1
  Ni  Ni281  1  0.162783  0.495476  0.557018  1
  Ni  Ni282  1  0.819869  0.372866  0.592254  1
  Ni  Ni283  1  0.238183  0.933893  0.519744  1
  Ni  Ni284  1  0.897427  0.814973  0.555002  1
  Ni  Ni285  1  0.549038  0.624659  0.605541  1
  Ni  Ni286  1  0.371113  0.281976  0.632621  1
  Ni  Ni287  1  0.028156  0.152654  0.669817  1
  Ni  Ni288  1  0.687083  0.027897  0.706137  1
  Ni  Ni289  1  0.314804  0.844850  0.715490  1
  Ni  Ni290  1  0.974006  0.731582  0.747667  1
  Ni  Ni291  1  0.662922  0.030584  0.658693  1
  Ni  Ni292  1  0.393651  0.276972  0.678522  1
  Ni  Ni293  1  0.049970  0.148567  0.716491  1
  Ni  Ni294  1  0.740317  0.463953  0.624371  1
  Ni  Ni295  1  0.258312  0.580130  0.697939  1
  Ni  Ni296  1  0.921296  0.462719  0.734479  1
  Ni  Ni297  1  0.603245  0.758557  0.645064  1
  Ni  Ni298  1  0.450850  0.553112  0.690788  1
  Ni  Ni299  1  0.098216  0.409675  0.729003  1
  Ni  Ni300  1  0.796703  0.734770  0.637275  1
  Ni  Ni301  1  0.529117  0.982658  0.647058  1
  Ni  Ni302  1  0.182494  0.817762  0.699707  1
  Ni  Ni303  1  0.843119  0.687878  0.735329  1
  Ni  Ni304  1  0.182160  0.175344  0.725364  1
  Ni  Ni305  1  0.873148  0.500047  0.635268  1
  Ni  Ni306  1  0.528093  0.325341  0.689009  1
  Ni  Ni307  1  0.507639  0.683686  0.729729  1
  Ni  Ni308  1  0.189691  0.929865  0.655365  1
  Ni  Ni309  1  0.848637  0.807677  0.691314  1
  Ni  Ni310  1  0.329412  0.048134  0.652558  1
  Ni  Ni311  1  0.987179  0.920136  0.690198  1
  Ni  Ni312  1  0.644410  0.791625  0.725486  1
  Ni  Ni313  1  0.379710  0.082014  0.735849  1
  Ni  Ni314  1  0.067480  0.385672  0.648180  1
  Ni  Ni315  1  0.726650  0.258678  0.683110  1
  Ni  Ni316  1  0.304047  0.249241  0.744949  1
  Ni  Ni317  1  0.988735  0.539387  0.658985  1
  Ni  Ni318  1  0.656056  0.426345  0.691588  1
  Ni  Ni319  1  0.400628  0.881466  0.643764  1
  Ni  Ni320  1  0.065702  0.769597  0.677975  1
  Ni  Ni321  1  0.725659  0.647608  0.713397  1
  Ni  Ni322  1  0.302323  0.362649  0.703680  1
  Ni  Ni323  1  0.960194  0.239152  0.739977  1
  Ni  Ni324  1  0.659829  0.564008  0.651092  1
  Ni  Ni325  1  0.395919  0.749138  0.685922  1
  Ni  Ni326  1  0.056392  0.627210  0.720363  1
  Ni  Ni327  1  0.752044  0.947822  0.630731  1
  Ni  Ni328  1  0.226996  0.423415  0.738088  1
  Ni  Ni329  1  0.924954  0.737146  0.652760  1
  Ni  Ni330  1  0.585776  0.608790  0.689811  1
  Ni  Ni331  1  0.467998  0.699702  0.646350  1
  Ni  Ni332  1  0.128961  0.571226  0.684438  1
  Ni  Ni333  1  0.789994  0.452380  0.716649  1
  Ni  Ni334  1  0.255062  0.217943  0.661415  1
  Ni  Ni335  1  0.912179  0.089375  0.697477  1
  Ni  Ni336  1  0.576728  0.979483  0.732925  1
  Ni  Ni337  1  0.447653  0.891830  0.727689  1
  Ni  Ni338  1  0.142440  0.215911  0.639644  1
  Ni  Ni339  1  0.798657  0.084995  0.674898  1
  Ni  Ni340  1  0.235606  0.961346  0.743456  1
  Ni  Ni341  1  0.924328  0.244645  0.655177  1
  Ni  Ni342  1  0.584869  0.124608  0.690651  1
  Ni  Ni343  1  0.471925  0.182272  0.645709  1
  Ni  Ni344  1  0.130572  0.058527  0.682818  1
  Ni  Ni345  1  0.788320  0.929656  0.719743  1
  Ni  Ni346  1  0.206429  0.502713  0.645106  1
  Ni  Ni347  1  0.865497  0.381895  0.679395  1
  Ni  Ni348  1  0.519554  0.189505  0.729977  1
