# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62976351
_cell_length_b   24.12696352
_cell_length_c   50.97261438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.37097792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   9300.13701226
_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  0.670128  0.628712  0.294386  1
  Zr  Zr2  1  0.546790  0.971878  0.258032  1
  Zr  Zr3  1  0.696678  0.277381  0.338791  1
  Zr  Zr4  1  0.793386  0.773102  0.351810  1
  Zr  Zr5  1  0.669406  0.115085  0.315042  1
  Zr  Zr6  1  0.650852  0.461672  0.272132  1
  Zr  Zr7  1  0.095142  0.868689  0.262446  1
  Zr  Zr8  1  0.134255  0.156114  0.349804  1
  Zr  Zr9  1  0.104281  0.503728  0.305829  1
  Zr  Zr10  1  0.202567  0.580552  0.262297  1
  Zr  Zr11  1  0.252940  0.886333  0.343943  1
  Zr  Zr12  1  0.232187  0.235664  0.304373  1
  Zr  Zr13  1  0.328365  0.679034  0.352660  1
  Zr  Zr14  1  0.202104  0.020061  0.313431  1
  Zr  Zr15  1  0.177982  0.367698  0.272394  1
  Zr  Zr16  1  0.137210  0.721161  0.294790  1
  Zr  Zr17  1  1.004589  0.061379  0.258062  1
  Zr  Zr18  1  0.164626  0.370976  0.338458  1
  Zr  Zr19  1  0.873987  0.587010  0.352746  1
  Zr  Zr20  1  0.738735  0.933707  0.312144  1
  Zr  Zr21  1  0.717854  0.275737  0.271941  1
  Zr  Zr22  1  0.601992  0.810143  0.292494  1
  Zr  Zr23  1  0.460146  0.152176  0.258280  1
  Zr  Zr24  1  0.621860  0.461525  0.338697  1
  Zr  Zr25  1  0.853198  0.586997  0.419568  1
  Zr  Zr26  1  0.728506  0.927948  0.380268  1
  Zr  Zr27  1  0.883327  0.238121  0.463268  1
  Zr  Zr28  1  0.981477  0.733108  0.478128  1
  Zr  Zr29  1  0.857889  0.074735  0.439585  1
  Zr  Zr30  1  0.829071  0.423591  0.396384  1
  Zr  Zr31  1  0.269880  0.813848  0.388511  1
  Zr  Zr32  1  0.321609  0.115696  0.473890  1
  Zr  Zr33  1  0.291651  0.465837  0.430763  1
  Zr  Zr34  1  0.389207  0.545688  0.385133  1
  Zr  Zr35  1  0.440628  0.847018  0.469711  1
  Zr  Zr36  1  0.419988  0.195905  0.428854  1
  Zr  Zr37  1  0.515708  0.639368  0.478224  1
  Zr  Zr38  1  0.390021  0.980795  0.438687  1
  Zr  Zr39  1  0.361097  0.329858  0.396759  1
  Zr  Zr40  1  0.321310  0.680610  0.419964  1
  Zr  Zr41  1  0.195014  0.022170  0.380893  1
  Zr  Zr42  1  0.350853  0.331895  0.462980  1
  Zr  Zr43  1  0.060692  0.548033  0.477827  1
  Zr  Zr44  1  0.925293  0.893157  0.438314  1
  Zr  Zr45  1  0.903621  0.238841  0.396475  1
  Zr  Zr46  1  0.784647  0.768342  0.420015  1
  Zr  Zr47  1  0.649944  0.113257  0.381715  1
  Zr  Zr48  1  0.807489  0.423405  0.463240  1
  Zr  Zr49  1  0.040535  0.547057  0.544692  1
  Zr  Zr50  1  0.916946  0.888684  0.506149  1
  Zr  Zr51  1  0.069352  0.198201  0.587892  1
  Zr  Zr52  1  0.169917  0.693844  0.604008  1
  Zr  Zr53  1  0.045225  0.034795  0.564708  1
  Zr  Zr54  1  0.015096  0.383671  0.521008  1
  Zr  Zr55  1  0.457796  0.774774  0.514565  1
  Zr  Zr56  1  0.509216  0.076105  0.599143  1
  Zr  Zr57  1  0.478435  0.425887  0.555422  1
  Zr  Zr58  1  0.576814  0.506096  0.510386  1
  Zr  Zr59  1  0.628543  0.807944  0.595765  1
  Zr  Zr60  1  0.606772  0.155955  0.553513  1
  Zr  Zr61  1  0.703409  0.599622  0.603383  1
  Zr  Zr62  1  0.577114  0.941182  0.564312  1
  Zr  Zr63  1  0.547570  0.289897  0.521297  1
  Zr  Zr64  1  0.508402  0.640997  0.545589  1
  Zr  Zr65  1  0.382715  0.982424  0.506052  1
  Zr  Zr66  1  0.537327  0.291934  0.587517  1
  Zr  Zr67  1  0.248479  0.508535  0.602561  1
  Zr  Zr68  1  0.113776  0.853450  0.564261  1
  Zr  Zr69  1  0.090934  0.198388  0.521036  1
  Zr  Zr70  1  0.973131  0.728635  0.545963  1
  Zr  Zr71  1  0.837731  0.073759  0.506449  1
  Zr  Zr72  1  0.994803  0.382951  0.587801  1
  Zr  Zr73  1  0.229017  0.506707  0.669234  1
  Zr  Zr74  1  0.105037  0.848690  0.632466  1
  Zr  Zr75  1  0.247571  0.160120  0.712144  1
  Zr  Zr76  1  0.351633  0.649914  0.726244  1
  Zr  Zr77  1  0.228295  0.993080  0.689891  1
  Zr  Zr78  1  0.201745  0.344411  0.645485  1
  Zr  Zr79  1  0.645483  0.735459  0.640333  1
  Zr  Zr80  1  0.695856  0.041240  0.721979  1
  Zr  Zr81  1  0.666236  0.386128  0.679903  1
  Zr  Zr82  1  0.764169  0.465678  0.634472  1
  Zr  Zr83  1  0.803282  0.753103  0.721830  1
  Zr  Zr84  1  0.794142  0.118064  0.678447  1
  Zr  Zr85  1  0.893834  0.560413  0.726214  1
  Zr  Zr86  1  0.761214  0.900631  0.689486  1
  Zr  Zr87  1  0.733797  0.250816  0.645818  1
  Zr  Zr88  1  0.696319  0.601731  0.670845  1
  Zr  Zr89  1  0.570058  0.942758  0.631616  1
  Zr  Zr90  1  0.720441  0.254094  0.711882  1
  Zr  Zr91  1  0.438277  0.469617  0.725996  1
  Zr  Zr92  1  0.296431  0.811650  0.691782  1
  Zr  Zr93  1  0.276563  0.160267  0.645579  1
  Zr  Zr94  1  0.159688  0.688085  0.672132  1
  Zr  Zr95  1  0.024437  0.034782  0.631530  1
  Zr  Zr96  1  0.180569  0.346055  0.712335  1
  Ni  Ni97  1  0.640450  0.721157  0.260454  1
  Ni  Ni98  1  0.695650  0.021457  0.347924  1
  Ni  Ni99  1  0.670987  0.369782  0.304511  1
  Ni  Ni100  1  0.380112  0.667033  0.261190  1
  Ni  Ni101  1  0.445731  0.968282  0.346600  1
  Ni  Ni102  1  0.423783  0.316881  0.304502  1
  Ni  Ni103  1  0.909481  0.776003  0.262038  1
  Ni  Ni104  1  0.946356  0.074795  0.348573  1
  Ni  Ni105  1  0.919144  0.422675  0.304822  1
  Ni  Ni106  1  0.537519  0.564313  0.262042  1
  Ni  Ni107  1  0.589611  0.868025  0.340435  1
  Ni  Ni108  1  0.565635  0.212800  0.301024  1
  Ni  Ni109  1  0.754694  0.877609  0.264374  1
  Ni  Ni110  1  0.800894  0.178648  0.352219  1
  Ni  Ni111  1  0.764115  0.526817  0.308243  1
  Ni  Ni112  1  0.334995  0.625217  0.304504  1
  Ni  Ni113  1  0.214997  0.968020  0.265292  1
  Ni  Ni114  1  0.359188  0.278086  0.349682  1
  Ni  Ni115  1  0.127854  0.777359  0.341566  1
  Ni  Ni116  1  0.009907  0.114366  0.303778  1
  Ni  Ni117  1  0.992896  0.463248  0.260260  1
  Ni  Ni118  1  0.010774  0.618005  0.304356  1
  Ni  Ni119  1  0.886578  0.967138  0.265302  1
  Ni  Ni120  1  0.035598  0.267512  0.348313  1
  Ni  Ni121  1  0.939904  0.665684  0.261614  1
  Ni  Ni122  1  0.991324  0.970101  0.347196  1
  Ni  Ni123  1  0.961489  0.316125  0.304736  1
  Ni  Ni124  1  0.327832  0.774208  0.260265  1
  Ni  Ni125  1  0.402745  0.075054  0.347883  1
  Ni  Ni126  1  0.376605  0.422671  0.304496  1
  Ni  Ni127  1  0.269239  0.823680  0.301915  1
  Ni  Ni128  1  0.117076  0.164593  0.267245  1
  Ni  Ni129  1  0.283581  0.473323  0.348549  1
  Ni  Ni130  1  0.212382  0.576656  0.342126  1
  Ni  Ni131  1  0.067654  0.922490  0.303301  1
  Ni  Ni132  1  0.052518  0.268776  0.261773  1
  Ni  Ni133  1  0.937791  0.826332  0.304706  1
  Ni  Ni134  1  0.794759  0.158370  0.269404  1
  Ni  Ni135  1  0.952376  0.469946  0.350241  1
  Ni  Ni136  1  0.542530  0.579752  0.340798  1
  Ni  Ni137  1  0.404209  0.918512  0.300032  1
  Ni  Ni138  1  0.387365  0.266804  0.261092  1
  Ni  Ni139  1  0.875812  0.559521  0.266254  1
  Ni  Ni140  1  0.939532  0.869573  0.347653  1
  Ni  Ni141  1  0.910603  0.211470  0.307031  1
  Ni  Ni142  1  0.420546  0.873519  0.257301  1
  Ni  Ni143  1  0.454349  0.180296  0.346312  1
  Ni  Ni144  1  0.424216  0.526686  0.303228  1
  Ni  Ni145  1  0.812820  0.720256  0.303586  1
  Ni  Ni146  1  0.676945  0.062410  0.267755  1
  Ni  Ni147  1  0.840379  0.368740  0.348436  1
  Ni  Ni148  1  0.655874  0.679889  0.342096  1
  Ni  Ni149  1  0.523450  0.024258  0.304225  1
  Ni  Ni150  1  0.504855  0.369262  0.261924  1
  Ni  Ni151  1  0.464685  0.721102  0.303201  1
  Ni  Ni152  1  0.330807  0.063293  0.267235  1
  Ni  Ni153  1  0.493494  0.371252  0.348348  1
  Ni  Ni154  1  1.000632  0.679424  0.342526  1
  Ni  Ni155  1  0.869986  0.023741  0.304345  1
  Ni  Ni156  1  0.849361  0.367958  0.262169  1
  Ni  Ni157  1  0.451934  0.780062  0.342057  1
  Ni  Ni158  1  0.329493  0.125006  0.304773  1
  Ni  Ni159  1  0.316646  0.471632  0.262216  1
  Ni  Ni160  1  0.827353  0.679946  0.385571  1
  Ni  Ni161  1  0.883593  0.981530  0.472940  1
  Ni  Ni162  1  0.855731  0.331008  0.429874  1
  Ni  Ni163  1  0.577819  0.626730  0.385638  1
  Ni  Ni164  1  0.633140  0.928935  0.471985  1
  Ni  Ni165  1  0.607842  0.278386  0.429522  1
  Ni  Ni166  1  0.077160  0.732451  0.386341  1
  Ni  Ni167  1  0.133279  0.034722  0.473217  1
  Ni  Ni168  1  0.103944  0.383525  0.430206  1
  Ni  Ni169  1  0.722862  0.522639  0.382743  1
  Ni  Ni170  1  0.776186  0.828230  0.467041  1
  Ni  Ni171  1  0.753124  0.173974  0.426200  1
  Ni  Ni172  1  0.933639  0.832974  0.391389  1
  Ni  Ni173  1  0.987854  0.138814  0.476526  1
  Ni  Ni174  1  0.958363  0.487946  0.433322  1
  Ni  Ni175  1  0.515782  0.587046  0.430669  1
  Ni  Ni176  1  0.394258  0.924054  0.390616  1
  Ni  Ni177  1  0.546293  0.238321  0.474135  1
  Ni  Ni178  1  0.315443  0.737172  0.467887  1
  Ni  Ni179  1  0.194888  0.074487  0.428487  1
  Ni  Ni180  1  0.166249  0.423279  0.385428  1
  Ni  Ni181  1  0.192231  0.577694  0.429665  1
  Ni  Ni182  1  0.071130  0.921307  0.390042  1
  Ni  Ni183  1  0.223236  0.227640  0.472933  1
  Ni  Ni184  1  0.119358  0.626088  0.385983  1
  Ni  Ni185  1  0.179203  0.930217  0.472409  1
  Ni  Ni186  1  0.148999  0.276896  0.429817  1
  Ni  Ni187  1  0.532025  0.731378  0.385876  1
  Ni  Ni188  1  0.591804  0.035283  0.472897  1
  Ni  Ni189  1  0.562566  0.385054  0.429922  1
  Ni  Ni190  1  0.455788  0.782093  0.428962  1
  Ni  Ni191  1  0.313243  0.124118  0.391978  1
  Ni  Ni192  1  0.469183  0.434381  0.473680  1
  Ni  Ni193  1  0.398185  0.537421  0.467486  1
  Ni  Ni194  1  0.254400  0.879148  0.429420  1
  Ni  Ni195  1  0.241909  0.227607  0.386140  1
  Ni  Ni196  1  0.117841  0.782079  0.431725  1
  Ni  Ni197  1  0.981630  0.121306  0.393522  1
  Ni  Ni198  1  0.139066  0.431038  0.474978  1
  Ni  Ni199  1  0.728815  0.540368  0.465976  1
  Ni  Ni200  1  0.592398  0.879051  0.426532  1
  Ni  Ni201  1  0.572466  0.230721  0.384827  1
  Ni  Ni202  1  0.069539  0.521098  0.388629  1
  Ni  Ni203  1  0.127280  0.829820  0.473211  1
  Ni  Ni204  1  0.099216  0.172120  0.431928  1
  Ni  Ni205  1  0.582429  0.831862  0.384659  1
  Ni  Ni206  1  0.641525  0.140257  0.470745  1
  Ni  Ni207  1  0.612462  0.489666  0.427429  1
  Ni  Ni208  1  0.998116  0.678344  0.429755  1
  Ni  Ni209  1  0.867854  0.020595  0.391352  1
  Ni  Ni210  1  0.026573  0.329686  0.473289  1
  Ni  Ni211  1  0.842995  0.640482  0.467656  1
  Ni  Ni212  1  0.712728  0.983329  0.428889  1
  Ni  Ni213  1  0.684981  0.332354  0.386349  1
  Ni  Ni214  1  0.650979  0.679587  0.429563  1
  Ni  Ni215  1  0.521438  0.021381  0.390758  1
  Ni  Ni216  1  0.679842  0.332119  0.473208  1
  Ni  Ni217  1  0.188975  0.639772  0.468191  1
  Ni  Ni218  1  0.060127  0.981948  0.429119  1
  Ni  Ni219  1  0.031957  0.329706  0.386510  1
  Ni  Ni220  1  0.639334  0.739851  0.468577  1
  Ni  Ni221  1  0.518462  0.083717  0.429477  1
  Ni  Ni222  1  0.488531  0.433839  0.386635  1
  Ni  Ni223  1  0.014831  0.640262  0.511336  1
  Ni  Ni224  1  0.071070  0.941846  0.598705  1
  Ni  Ni225  1  0.042692  0.290784  0.554402  1
  Ni  Ni226  1  0.765145  0.587071  0.511060  1
  Ni  Ni227  1  0.821263  0.889341  0.597935  1
  Ni  Ni228  1  0.794479  0.238267  0.554070  1
  Ni  Ni229  1  0.265284  0.692857  0.512291  1
  Ni  Ni230  1  0.320604  0.995062  0.598638  1
  Ni  Ni231  1  0.290581  0.343406  0.554755  1
  Ni  Ni232  1  0.910569  0.482978  0.507750  1
  Ni  Ni233  1  0.964785  0.788818  0.592887  1
  Ni  Ni234  1  0.940060  0.133846  0.550954  1
  Ni  Ni235  1  0.122237  0.793562  0.517235  1
  Ni  Ni236  1  0.175561  0.099153  0.601533  1
  Ni  Ni237  1  0.145299  0.447818  0.558076  1
  Ni  Ni238  1  0.703535  0.547305  0.555789  1
  Ni  Ni239  1  0.582980  0.884620  0.516390  1
  Ni  Ni240  1  0.732175  0.198513  0.598848  1
  Ni  Ni241  1  0.504165  0.697738  0.593660  1
  Ni  Ni242  1  0.382641  0.034746  0.553607  1
  Ni  Ni243  1  0.352131  0.383471  0.510141  1
  Ni  Ni244  1  0.379961  0.538075  0.554800  1
  Ni  Ni245  1  0.259089  0.881941  0.515699  1
  Ni  Ni246  1  0.409892  0.187953  0.597641  1
  Ni  Ni247  1  0.306619  0.586509  0.511379  1
  Ni  Ni248  1  0.366398  0.890414  0.598400  1
  Ni  Ni249  1  0.335858  0.236738  0.554354  1
  Ni  Ni250  1  0.719220  0.691575  0.511867  1
  Ni  Ni251  1  0.779065  0.995704  0.598294  1
  Ni  Ni252  1  0.749425  0.344896  0.554459  1
  Ni  Ni253  1  0.644023  0.742644  0.554856  1
  Ni  Ni254  1  0.500238  0.084371  0.516790  1
  Ni  Ni255  1  0.656514  0.394185  0.598136  1
  Ni  Ni256  1  0.585180  0.497675  0.592299  1
  Ni  Ni257  1  0.442635  0.839699  0.555314  1
  Ni  Ni258  1  0.429240  0.187411  0.510597  1
  Ni  Ni259  1  0.306026  0.742741  0.557744  1
  Ni  Ni260  1  0.169608  0.081424  0.518300  1
  Ni  Ni261  1  0.325957  0.391071  0.599449  1
  Ni  Ni262  1  0.916793  0.500486  0.590754  1
  Ni  Ni263  1  0.780582  0.839713  0.552551  1
  Ni  Ni264  1  0.759357  0.190754  0.509298  1
  Ni  Ni265  1  0.256898  0.481535  0.513532  1
  Ni  Ni266  1  0.315994  0.789930  0.599617  1
  Ni  Ni267  1  0.285961  0.132126  0.556847  1
  Ni  Ni268  1  0.771143  0.791972  0.511065  1
  Ni  Ni269  1  0.828885  0.100694  0.595647  1
  Ni  Ni270  1  0.799208  0.449672  0.552348  1
  Ni  Ni271  1  0.185695  0.638463  0.555387  1
  Ni  Ni272  1  0.055428  0.981311  0.516620  1
  Ni  Ni273  1  0.213443  0.289438  0.597927  1
  Ni  Ni274  1  0.030569  0.601197  0.592924  1
  Ni  Ni275  1  0.900307  0.943448  0.554521  1
  Ni  Ni276  1  0.871850  0.292106  0.510987  1
  Ni  Ni277  1  0.838296  0.639844  0.555157  1
  Ni  Ni278  1  0.709448  0.982020  0.516085  1
  Ni  Ni279  1  0.866466  0.292086  0.597766  1
  Ni  Ni280  1  0.376985  0.600411  0.593518  1
  Ni  Ni281  1  0.247444  0.942205  0.554713  1
  Ni  Ni282  1  0.218581  0.289673  0.511069  1
  Ni  Ni283  1  0.827293  0.700485  0.594234  1
  Ni  Ni284  1  0.706193  0.044098  0.554611  1
  Ni  Ni285  1  0.675188  0.394152  0.511343  1
  Ni  Ni286  1  0.202774  0.600335  0.636352  1
  Ni  Ni287  1  0.257973  0.900635  0.723822  1
  Ni  Ni288  1  0.227437  0.252010  0.679765  1
  Ni  Ni289  1  0.952067  0.546997  0.635703  1
  Ni  Ni290  1  0.988942  0.845789  0.722238  1
  Ni  Ni291  1  0.979279  0.199117  0.679454  1
  Ni  Ni292  1  0.452693  0.653510  0.637676  1
  Ni  Ni293  1  0.518311  0.954759  0.723086  1
  Ni  Ni294  1  0.474641  0.304911  0.679774  1
  Ni  Ni295  1  0.097529  0.443144  0.632057  1
  Ni  Ni296  1  0.143729  0.744183  0.719902  1
  Ni  Ni297  1  0.134308  0.094975  0.676033  1
  Ni  Ni298  1  0.308812  0.753767  0.643841  1
  Ni  Ni299  1  0.360904  0.057479  0.722234  1
  Ni  Ni300  1  0.332788  0.408992  0.683252  1
  Ni  Ni301  1  0.888516  0.507426  0.680498  1
  Ni  Ni302  1  0.770569  0.844433  0.642710  1
  Ni  Ni303  1  0.905527  0.158544  0.724016  1
  Ni  Ni304  1  0.683426  0.653772  0.718984  1
  Ni  Ni305  1  0.563429  0.996575  0.679772  1
  Ni  Ni306  1  0.539236  0.343706  0.634594  1
  Ni  Ni307  1  0.568930  0.496786  0.679503  1
  Ni  Ni308  1  0.446489  0.841731  0.642219  1
  Ni  Ni309  1  0.581777  0.150160  0.722060  1
  Ni  Ni310  1  0.495678  0.546739  0.636393  1
  Ni  Ni311  1  0.570591  0.847584  0.724012  1
  Ni  Ni312  1  0.521819  0.199121  0.679780  1
  Ni  Ni313  1  0.907099  0.651691  0.637080  1
  Ni  Ni314  1  0.958519  0.956108  0.722662  1
  Ni  Ni315  1  0.936935  0.305668  0.679540  1
  Ni  Ni316  1  0.830769  0.699302  0.680975  1
  Ni  Ni317  1  0.686041  0.045136  0.642151  1
  Ni  Ni318  1  0.845905  0.353016  0.722503  1
  Ni  Ni319  1  0.781348  0.457199  0.717031  1
  Ni  Ni320  1  0.629185  0.798112  0.682361  1
  Ni  Ni321  1  0.614843  0.148469  0.635727  1
  Ni  Ni322  1  0.494214  0.703280  0.684244  1
  Ni  Ni323  1  0.355893  0.042040  0.643478  1
  Ni  Ni324  1  0.511059  0.354988  0.723185  1
  Ni  Ni325  1  0.103665  0.463422  0.714873  1
  Ni  Ni326  1  0.960632  0.795460  0.679570  1
  Ni  Ni327  1  0.946047  0.151846  0.634035  1
  Ni  Ni328  1  0.444074  0.441497  0.637964  1
  Ni  Ni329  1  0.477877  0.748273  0.726975  1
  Ni  Ni330  1  0.474207  0.095106  0.681048  1
  Ni  Ni331  1  0.958891  0.752219  0.636624  1
  Ni  Ni332  1  0.022611  0.062271  0.718022  1
  Ni  Ni333  1  0.987821  0.410322  0.677245  1
  Ni  Ni334  1  0.374973  0.597534  0.680052  1
  Ni  Ni335  1  0.242549  0.941903  0.642180  1
  Ni  Ni336  1  0.393568  0.252530  0.722352  1
  Ni  Ni337  1  0.221479  0.559382  0.716521  1
  Ni  Ni338  1  0.085604  0.901536  0.680690  1
  Ni  Ni339  1  0.058044  0.253052  0.635841  1
  Ni  Ni340  1  0.028437  0.598051  0.679931  1
  Ni  Ni341  1  0.897792  0.942368  0.641750  1
  Ni  Ni342  1  0.049062  0.253834  0.722107  1
  Ni  Ni343  1  0.567616  0.558499  0.717041  1
  Ni  Ni344  1  0.433738  0.900690  0.681075  1
  Ni  Ni345  1  0.404930  0.250540  0.635928  1
  Ni  Ni346  1  0.011845  0.654654  0.718975  1
  Ni  Ni347  1  0.887650  1.003787  0.679920  1
  Ni  Ni348  1  0.862825  0.354280  0.635963  1
