# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53473931
_cell_length_b   29.62787119
_cell_length_c   54.80128390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.11696460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10608.0832119
_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  0.854725  0.804440  0.285931  1
  Zr  Zr2  1  0.715243  0.217801  0.320236  1
  Zr  Zr3  1  0.563802  0.595836  0.361912  1
  Zr  Zr4  1  0.432749  0.531963  0.297601  1
  Zr  Zr5  1  0.289875  0.912369  0.333660  1
  Zr  Zr6  1  0.138396  0.316962  0.370854  1
  Zr  Zr7  1  0.849576  0.654478  0.288044  1
  Zr  Zr8  1  0.680365  0.028895  0.321988  1
  Zr  Zr9  1  0.532590  0.439335  0.358025  1
  Zr  Zr10  1  0.439140  0.686741  0.299996  1
  Zr  Zr11  1  0.337984  0.099233  0.331604  1
  Zr  Zr12  1  0.161905  0.475898  0.372810  1
  Zr  Zr13  1  0.167102  0.759973  0.340240  1
  Zr  Zr14  1  0.034245  0.164433  0.372925  1
  Zr  Zr15  1  0.314783  0.381077  0.300799  1
  Zr  Zr16  1  0.677014  0.748752  0.357059  1
  Zr  Zr17  1  0.990104  0.966605  0.282735  1
  Zr  Zr18  1  0.834961  0.370390  0.317243  1
  Zr  Zr19  1  0.061025  0.612526  0.348969  1
  Zr  Zr20  1  0.921180  0.015323  0.377844  1
  Zr  Zr21  1  0.217753  0.229804  0.304346  1
  Zr  Zr22  1  0.786056  0.894747  0.348995  1
  Zr  Zr23  1  0.094232  0.114394  0.280354  1
  Zr  Zr24  1  0.935462  0.513266  0.307956  1
  Zr  Zr25  1  0.416377  0.997227  0.392581  1
  Zr  Zr26  1  0.271238  0.383640  0.434412  1
  Zr  Zr27  1  0.124281  0.783500  0.470552  1
  Zr  Zr28  1  0.999038  0.700990  0.412011  1
  Zr  Zr29  1  0.843919  0.101509  0.443307  1
  Zr  Zr30  1  0.699617  0.487129  0.486295  1
  Zr  Zr31  1  0.382711  0.817088  0.398208  1
  Zr  Zr32  1  0.241208  0.222433  0.431095  1
  Zr  Zr33  1  0.082661  0.603965  0.475384  1
  Zr  Zr34  1  0.034470  0.880306  0.405163  1
  Zr  Zr35  1  0.875071  0.262239  0.445601  1
  Zr  Zr36  1  0.737509  0.667600  0.483369  1
  Zr  Zr37  1  0.737434  0.948775  0.447261  1
  Zr  Zr38  1  0.569931  0.332827  0.487942  1
  Zr  Zr39  1  0.867918  0.546689  0.415576  1
  Zr  Zr40  1  0.250382  0.938079  0.464358  1
  Zr  Zr41  1  0.540398  0.152199  0.389264  1
  Zr  Zr42  1  0.382577  0.535724  0.432540  1
  Zr  Zr43  1  0.626538  0.801260  0.455386  1
  Zr  Zr44  1  0.465772  0.183509  0.492881  1
  Zr  Zr45  1  0.761481  0.399015  0.421146  1
  Zr  Zr46  1  0.353776  0.086349  0.456798  1
  Zr  Zr47  1  0.646970  0.302310  0.384371  1
  Zr  Zr48  1  0.496998  0.683404  0.426764  1
  Zr  Zr49  1  0.972831  0.169057  0.506395  1
  Zr  Zr50  1  0.825012  0.566936  0.546612  1
  Zr  Zr51  1  0.691198  0.958475  0.581573  1
  Zr  Zr52  1  0.560402  0.889159  0.519345  1
  Zr  Zr53  1  0.385301  0.270844  0.557968  1
  Zr  Zr54  1  0.276843  0.676423  0.596701  1
  Zr  Zr55  1  0.953294  0.009896  0.505620  1
  Zr  Zr56  1  0.772591  0.389438  0.547857  1
  Zr  Zr57  1  0.672149  0.795206  0.582871  1
  Zr  Zr58  1  0.584003  0.048044  0.519338  1
  Zr  Zr59  1  0.427270  0.451389  0.557945  1
  Zr  Zr60  1  0.305663  0.838561  0.595452  1
  Zr  Zr61  1  0.274821  0.118681  0.560921  1
  Zr  Zr62  1  0.142398  0.516871  0.599500  1
  Zr  Zr63  1  0.448578  0.735543  0.524986  1
  Zr  Zr64  1  0.800494  0.110613  0.578232  1
  Zr  Zr65  1  0.083360  0.321247  0.504485  1
  Zr  Zr66  1  0.955855  0.723810  0.542140  1
  Zr  Zr67  1  0.180855  0.972384  0.567943  1
  Zr  Zr68  1  0.011072  0.360671  0.604335  1
  Zr  Zr69  1  0.328902  0.586885  0.531801  1
  Zr  Zr70  1  0.889856  0.255656  0.571714  1
  Zr  Zr71  1  0.196410  0.469410  0.500584  1
  Zr  Zr72  1  0.069970  0.873955  0.532992  1
  Zr  Zr73  1  0.509543  0.342806  0.618831  1
  Zr  Zr74  1  0.405033  0.749265  0.658104  1
  Zr  Zr75  1  0.227233  0.128041  0.695445  1
  Zr  Zr76  1  0.101680  0.062002  0.632356  1
  Zr  Zr77  1  0.949712  0.447055  0.667208  1
  Zr  Zr78  1  0.832600  0.855154  0.708359  1
  Zr  Zr79  1  0.489793  0.181741  0.620832  1
  Zr  Zr80  1  0.343557  0.564480  0.656354  1
  Zr  Zr81  1  0.237382  0.972482  0.694729  1
  Zr  Zr82  1  0.119405  0.222728  0.634804  1
  Zr  Zr83  1  0.997702  0.631728  0.668196  1
  Zr  Zr84  1  0.828148  1.007546  0.705719  1
  Zr  Zr85  1  0.827719  0.292806  0.672842  1
  Zr  Zr86  1  0.688975  0.691881  0.708213  1
  Zr  Zr87  1  0.997860  0.909602  0.636772  1
  Zr  Zr88  1  0.334589  0.280670  0.689089  1
  Zr  Zr89  1  0.632310  0.500338  0.615310  1
  Zr  Zr90  1  0.519127  0.901062  0.653894  1
  Zr  Zr91  1  0.715202  0.146755  0.683492  1
  Zr  Zr92  1  0.567373  0.543889  0.709838  1
  Zr  Zr93  1  0.905941  0.766134  0.644811  1
  Zr  Zr94  1  0.447793  0.433481  0.683591  1
  Zr  Zr95  1  0.772130  0.656681  0.610495  1
  Zr  Zr96  1  0.605986  0.047269  0.645691  1
  Ni  Ni97  1  0.688253  0.477308  0.268620  1
  Ni  Ni98  1  0.569399  0.858395  0.306799  1
  Ni  Ni99  1  0.429223  0.268493  0.343379  1
  Ni  Ni100  1  0.501551  0.775408  0.311691  1
  Ni  Ni101  1  0.370941  0.185117  0.344626  1
  Ni  Ni102  1  0.640852  0.393421  0.274247  1
  Ni  Ni103  1  0.342319  0.730438  0.385680  1
  Ni  Ni104  1  0.641504  0.941515  0.307108  1
  Ni  Ni105  1  0.493464  0.351497  0.344158  1
  Ni  Ni106  1  0.123485  0.941388  0.373262  1
  Ni  Ni107  1  0.464412  0.158003  0.297597  1
  Ni  Ni108  1  0.245884  0.538824  0.340965  1
  Ni  Ni109  1  0.756517  0.586571  0.317920  1
  Ni  Ni110  1  0.585224  0.968236  0.353382  1
  Ni  Ni111  1  0.846748  0.183812  0.281908  1
  Ni  Ni112  1  0.819800  0.732297  0.312446  1
  Ni  Ni113  1  0.695290  0.140559  0.344975  1
  Ni  Ni114  1  0.987288  0.356035  0.272434  1
  Ni  Ni115  1  0.019409  0.775464  0.384774  1
  Ni  Ni116  1  0.331482  0.988620  0.306470  1
  Ni  Ni117  1  0.160883  0.392451  0.346846  1
  Ni  Ni118  1  0.734172  0.664087  0.335963  1
  Ni  Ni119  1  0.600323  0.065848  0.366808  1
  Ni  Ni120  1  0.897379  0.283248  0.293723  1
  Ni  Ni121  1  0.381151  0.683241  0.348309  1
  Ni  Ni122  1  0.239304  0.084586  0.379030  1
  Ni  Ni123  1  0.543376  0.305858  0.304950  1
  Ni  Ni124  1  0.468712  0.827602  0.348027  1
  Ni  Ni125  1  0.795949  0.045532  0.275426  1
  Ni  Ni126  1  0.611425  0.448061  0.308550  1
  Ni  Ni127  1  0.755297  0.830119  0.380930  1
  Ni  Ni128  1  0.069143  0.044699  0.308284  1
  Ni  Ni129  1  0.893932  0.452031  0.340827  1
  Ni  Ni130  1  0.092425  0.677031  0.319751  1
  Ni  Ni131  1  0.953285  0.083403  0.346111  1
  Ni  Ni132  1  0.258190  0.301322  0.276720  1
  Ni  Ni133  1  0.115299  0.594930  0.299890  1
  Ni  Ni134  1  0.972252  0.969874  0.330709  1
  Ni  Ni135  1  0.812425  0.381313  0.368296  1
  Ni  Ni136  1  0.150138  0.746148  0.292322  1
  Ni  Ni137  1  0.035015  0.158286  0.322969  1
  Ni  Ni138  1  0.881874  0.533675  0.363816  1
  Ni  Ni139  1  0.416837  0.613225  0.320218  1
  Ni  Ni140  1  0.263224  0.016933  0.347850  1
  Ni  Ni141  1  0.559767  0.239668  0.276341  1
  Ni  Ni142  1  0.449875  0.895305  0.378570  1
  Ni  Ni143  1  0.764384  0.108667  0.305441  1
  Ni  Ni144  1  0.598030  0.514586  0.338545  1
  Ni  Ni145  1  0.652929  0.675302  0.382738  1
  Ni  Ni146  1  0.940986  0.887465  0.305024  1
  Ni  Ni147  1  0.804118  0.296298  0.340419  1
  Ni  Ni148  1  0.196232  0.830663  0.312385  1
  Ni  Ni149  1  0.053515  0.239014  0.347900  1
  Ni  Ni150  1  0.324507  0.455177  0.275922  1
  Ni  Ni151  1  0.835726  0.814180  0.331478  1
  Ni  Ni152  1  0.697978  0.221940  0.367088  1
  Ni  Ni153  1  0.971485  0.434401  0.290625  1
  Ni  Ni154  1  0.006729  0.693367  0.365218  1
  Ni  Ni155  1  0.292625  0.905302  0.287520  1
  Ni  Ni156  1  0.161900  0.312572  0.322362  1
  Ni  Ni157  1  0.110521  0.845095  0.359447  1
  Ni  Ni158  1  0.434008  0.068364  0.286884  1
  Ni  Ni159  1  0.249060  0.461455  0.321704  1
  Ni  Ni160  1  0.278711  0.647136  0.387697  1
  Ni  Ni161  1  0.132202  0.050389  0.418078  1
  Ni  Ni162  1  0.982137  0.433940  0.460537  1
  Ni  Ni163  1  0.072755  0.966939  0.419365  1
  Ni  Ni164  1  0.912095  0.350645  0.461311  1
  Ni  Ni165  1  0.207414  0.562835  0.388426  1
  Ni  Ni166  1  0.912325  0.921089  0.491726  1
  Ni  Ni167  1  0.200219  0.133706  0.416507  1
  Ni  Ni168  1  0.045154  0.517774  0.459865  1
  Ni  Ni169  1  0.672128  0.110246  0.488338  1
  Ni  Ni170  1  0.967602  0.325461  0.415788  1
  Ni  Ni171  1  0.829965  0.727279  0.451368  1
  Ni  Ni172  1  0.294300  0.757548  0.430978  1
  Ni  Ni173  1  0.146467  0.160101  0.461618  1
  Ni  Ni174  1  0.441650  0.376039  0.389317  1
  Ni  Ni175  1  0.395821  0.922220  0.420020  1
  Ni  Ni176  1  0.240753  0.308104  0.458473  1
  Ni  Ni177  1  0.536149  0.521649  0.385716  1
  Ni  Ni178  1  0.582997  0.963189  0.493461  1
  Ni  Ni179  1  0.872148  0.177033  0.418706  1
  Ni  Ni180  1  0.722721  0.562077  0.460192  1
  Ni  Ni181  1  0.303144  0.850213  0.443724  1
  Ni  Ni182  1  0.147743  0.237883  0.482018  1
  Ni  Ni183  1  0.443256  0.453189  0.409650  1
  Ni  Ni184  1  0.949211  0.871234  0.454393  1
  Ni  Ni185  1  0.786189  0.255765  0.493773  1
  Ni  Ni186  1  0.083471  0.470628  0.421703  1
  Ni  Ni187  1  0.033711  0.014731  0.456849  1
  Ni  Ni188  1  0.328460  0.231265  0.382480  1
  Ni  Ni189  1  0.171916  0.612732  0.427010  1
  Ni  Ni190  1  0.316978  0.021909  0.488272  1
  Ni  Ni191  1  0.608252  0.235942  0.414645  1
  Ni  Ni192  1  0.461522  0.617361  0.458368  1
  Ni  Ni193  1  0.659063  0.866728  0.422944  1
  Ni  Ni194  1  0.505161  0.249405  0.462269  1
  Ni  Ni195  1  0.800235  0.463753  0.390293  1
  Ni  Ni196  1  0.674658  0.758921  0.408106  1
  Ni  Ni197  1  0.520678  0.164889  0.440259  1
  Ni  Ni198  1  0.374892  0.545354  0.483547  1
  Ni  Ni199  1  0.741299  0.938780  0.396343  1
  Ni  Ni200  1  0.594038  0.320077  0.437000  1
  Ni  Ni201  1  0.448552  0.726323  0.474326  1
  Ni  Ni202  1  0.964253  0.802148  0.425889  1
  Ni  Ni203  1  0.802358  0.186790  0.464232  1
  Ni  Ni204  1  0.097418  0.401228  0.392429  1
  Ni  Ni205  1  0.017365  0.084455  0.485644  1
  Ni  Ni206  1  0.310839  0.298509  0.413010  1
  Ni  Ni207  1  0.161763  0.682445  0.456353  1
  Ni  Ni208  1  0.222152  0.864800  0.489183  1
  Ni  Ni209  1  0.510410  0.077246  0.412831  1
  Ni  Ni210  1  0.355707  0.462236  0.456725  1
  Ni  Ni211  1  0.759414  0.021817  0.421910  1
  Ni  Ni212  1  0.605624  0.407481  0.465166  1
  Ni  Ni213  1  0.901622  0.620508  0.392286  1
  Ni  Ni214  1  0.404072  1.005031  0.440292  1
  Ni  Ni215  1  0.243284  0.388838  0.482675  1
  Ni  Ni216  1  0.542238  0.602310  0.409879  1
  Ni  Ni217  1  0.580483  0.882323  0.471232  1
  Ni  Ni218  1  0.870064  0.096155  0.395375  1
  Ni  Ni219  1  0.711937  0.479406  0.438642  1
  Ni  Ni220  1  0.673038  0.032265  0.468628  1
  Ni  Ni221  1  0.966661  0.247763  0.394990  1
  Ni  Ni222  1  0.817432  0.634151  0.437647  1
  Ni  Ni223  1  0.846400  0.837904  0.494497  1
  Ni  Ni224  1  0.677561  0.219406  0.532473  1
  Ni  Ni225  1  0.551878  0.622080  0.571077  1
  Ni  Ni226  1  0.615999  0.135359  0.534049  1
  Ni  Ni227  1  0.482727  0.538421  0.571803  1
  Ni  Ni228  1  0.783155  0.754301  0.496980  1
  Ni  Ni229  1  0.459582  0.095425  0.605333  1
  Ni  Ni230  1  0.743214  0.303167  0.531442  1
  Ni  Ni231  1  0.618974  0.705208  0.569774  1
  Ni  Ni232  1  0.209298  0.283028  0.601572  1
  Ni  Ni233  1  0.529129  0.512031  0.526149  1
  Ni  Ni234  1  0.390887  0.899394  0.563954  1
  Ni  Ni235  1  0.861438  0.948082  0.536807  1
  Ni  Ni236  1  0.680415  0.327364  0.577158  1
  Ni  Ni237  1  0.995752  0.542886  0.506495  1
  Ni  Ni238  1  0.949693  0.095302  0.531522  1
  Ni  Ni239  1  0.798615  0.488920  0.572450  1
  Ni  Ni240  1  0.102353  0.708348  0.497945  1
  Ni  Ni241  1  0.126047  0.135558  0.607986  1
  Ni  Ni242  1  0.417929  0.346073  0.532763  1
  Ni  Ni243  1  0.296879  0.751167  0.570151  1
  Ni  Ni244  1  0.863338  0.027068  0.556333  1
  Ni  Ni245  1  0.687634  0.412391  0.594515  1
  Ni  Ni246  1  0.005537  0.635501  0.521141  1
  Ni  Ni247  1  0.501094  0.044693  0.568003  1
  Ni  Ni248  1  0.332686  0.432378  0.606500  1
  Ni  Ni249  1  0.652773  0.656563  0.531813  1
  Ni  Ni250  1  0.571867  0.184204  0.571826  1
  Ni  Ni251  1  0.871777  0.398686  0.499971  1
  Ni  Ni252  1  0.748729  0.802347  0.533618  1
  Ni  Ni253  1  0.856389  0.192970  0.603463  1
  Ni  Ni254  1  0.158899  0.402240  0.531276  1
  Ni  Ni255  1  0.033449  0.809633  0.565174  1
  Ni  Ni256  1  0.218438  0.036564  0.536552  1
  Ni  Ni257  1  0.052258  0.431740  0.574171  1
  Ni  Ni258  1  0.362327  0.653098  0.500323  1
  Ni  Ni259  1  0.234084  0.951956  0.515119  1
  Ni  Ni260  1  0.065202  0.331101  0.555293  1
  Ni  Ni261  1  0.953373  0.737134  0.592987  1
  Ni  Ni262  1  0.299858  0.105581  0.509956  1
  Ni  Ni263  1  0.146820  0.510002  0.549016  1
  Ni  Ni264  1  0.017701  0.895193  0.585280  1
  Ni  Ni265  1  0.515723  0.974192  0.539282  1
  Ni  Ni266  1  0.350586  0.370532  0.574622  1
  Ni  Ni267  1  0.665320  0.588240  0.501976  1
  Ni  Ni268  1  0.552377  0.253884  0.600575  1
  Ni  Ni269  1  0.862537  0.467425  0.530236  1
  Ni  Ni270  1  0.732448  0.870921  0.561982  1
  Ni  Ni271  1  0.771106  0.037976  0.602551  1
  Ni  Ni272  1  0.055445  0.247563  0.528375  1
  Ni  Ni273  1  0.926233  0.648920  0.566457  1
  Ni  Ni274  1  0.305243  0.191314  0.536412  1
  Ni  Ni275  1  0.171848  0.594283  0.576080  1
  Ni  Ni276  1  0.470268  0.809133  0.499283  1
  Ni  Ni277  1  0.946787  0.176040  0.554265  1
  Ni  Ni278  1  0.812766  0.572682  0.594234  1
  Ni  Ni279  1  0.116261  0.791681  0.517885  1
  Ni  Ni280  1  0.128705  0.053431  0.585004  1
  Ni  Ni281  1  0.414022  0.264381  0.510171  1
  Ni  Ni282  1  0.285220  0.668592  0.548650  1
  Ni  Ni283  1  0.210976  0.202298  0.583179  1
  Ni  Ni284  1  0.514263  0.419231  0.510875  1
  Ni  Ni285  1  0.391526  0.820797  0.545549  1
  Ni  Ni286  1  0.396591  0.009915  0.606791  1
  Ni  Ni287  1  0.229213  0.395462  0.645385  1
  Ni  Ni288  1  0.119949  0.801769  0.686323  1
  Ni  Ni289  1  0.167146  0.313021  0.644940  1
  Ni  Ni290  1  0.043511  0.718321  0.685028  1
  Ni  Ni291  1  0.335750  0.925855  0.608974  1
  Ni  Ni292  1  0.008961  0.270264  0.716902  1
  Ni  Ni293  1  0.293375  0.478664  0.643918  1
  Ni  Ni294  1  0.183323  0.885193  0.681965  1
  Ni  Ni295  1  0.813809  0.476066  0.706703  1
  Ni  Ni296  1  0.102758  0.693044  0.638441  1
  Ni  Ni297  1  0.911176  0.074136  0.675781  1
  Ni  Ni298  1  0.407078  0.119896  0.652221  1
  Ni  Ni299  1  0.202145  0.504586  0.690468  1
  Ni  Ni300  1  0.584262  0.734632  0.614728  1
  Ni  Ni301  1  0.494921  0.267668  0.645185  1
  Ni  Ni302  1  0.351868  0.671844  0.682972  1
  Ni  Ni303  1  0.669701  0.884703  0.606957  1
  Ni  Ni304  1  0.669115  0.308713  0.716404  1
  Ni  Ni305  1  0.979473  0.527167  0.642700  1
  Ni  Ni306  1  0.861390  0.927443  0.682118  1
  Ni  Ni307  1  0.396078  0.197748  0.670546  1
  Ni  Ni308  1  0.237950  0.591728  0.702270  1
  Ni  Ni309  1  0.584240  0.818073  0.633113  1
  Ni  Ni310  1  0.035098  0.210413  0.685636  1
  Ni  Ni311  1  0.873878  0.611488  0.715423  1
  Ni  Ni312  1  0.220858  0.834005  0.645683  1
  Ni  Ni313  1  0.117903  0.357777  0.683563  1
  Ni  Ni314  1  0.446091  0.585040  0.608937  1
  Ni  Ni315  1  0.291741  0.975342  0.646385  1
  Ni  Ni316  1  0.403807  0.362666  0.711585  1
  Ni  Ni317  1  0.728438  0.584469  0.641229  1
  Ni  Ni318  1  0.582318  0.982840  0.674917  1
  Ni  Ni319  1  0.759136  0.208991  0.651657  1
  Ni  Ni320  1  0.608712  0.614740  0.681941  1
  Ni  Ni321  1  0.940739  0.827779  0.612578  1
  Ni  Ni322  1  0.777876  0.124653  0.629911  1
  Ni  Ni323  1  0.635363  0.505720  0.664891  1
  Ni  Ni324  1  0.531908  0.913453  0.702021  1
  Ni  Ni325  1  0.839308  0.280731  0.622502  1
  Ni  Ni326  1  0.714536  0.690736  0.659982  1
  Ni  Ni327  1  0.551673  0.065426  0.694706  1
  Ni  Ni328  1  0.059276  0.146496  0.654461  1
  Ni  Ni329  1  0.899353  0.552271  0.683641  1
  Ni  Ni330  1  0.241259  0.765983  0.615183  1
  Ni  Ni331  1  0.106461  0.423648  0.711479  1
  Ni  Ni332  1  0.430155  0.647013  0.641285  1
  Ni  Ni333  1  0.251276  0.046102  0.674282  1
  Ni  Ni334  1  0.332890  0.207286  0.715864  1
  Ni  Ni335  1  0.608526  0.423643  0.640045  1
  Ni  Ni336  1  0.490250  0.829742  0.681383  1
  Ni  Ni337  1  0.854410  0.366796  0.648565  1
  Ni  Ni338  1  0.745497  0.772628  0.688439  1
  Ni  Ni339  1  0.023900  0.982136  0.611514  1
  Ni  Ni340  1  0.498234  0.349567  0.666890  1
  Ni  Ni341  1  0.390774  0.753144  0.704460  1
  Ni  Ni342  1  0.668638  0.966423  0.628843  1
  Ni  Ni343  1  0.674714  0.229220  0.698701  1
  Ni  Ni344  1  0.967187  0.444585  0.620460  1
  Ni  Ni345  1  0.848775  0.845440  0.663023  1
  Ni  Ni346  1  0.767680  0.382077  0.695051  1
  Ni  Ni347  1  0.090825  0.606059  0.621681  1
  Ni  Ni348  1  0.936828  0.994680  0.658121  1
