# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.50244422
_cell_length_b   8.81875612
_cell_length_c   49.86566242
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.10555395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10610.4905785
_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  0.008806  0.337095  0.363137  1
  Zr  Zr2  1  0.309102  0.266315  0.324631  1
  Zr  Zr3  1  0.599677  0.177703  0.292370  1
  Zr  Zr4  1  0.636102  0.716278  0.304286  1
  Zr  Zr5  1  0.036433  0.851090  0.376995  1
  Zr  Zr6  1  0.340930  0.781654  0.340294  1
  Zr  Zr7  1  0.774558  0.890614  0.305203  1
  Zr  Zr8  1  0.173659  0.022003  0.380084  1
  Zr  Zr9  1  0.476302  0.946768  0.343916  1
  Zr  Zr10  1  0.870900  0.159444  0.356925  1
  Zr  Zr11  1  0.173711  0.094137  0.319464  1
  Zr  Zr12  1  0.483350  0.043195  0.286253  1
  Zr  Zr13  1  0.816297  0.441430  0.304053  1
  Zr  Zr14  1  0.214107  0.570285  0.376769  1
  Zr  Zr15  1  0.518806  0.499553  0.339957  1
  Zr  Zr16  1  0.830542  0.612207  0.362839  1
  Zr  Zr17  1  0.132719  0.545621  0.325183  1
  Zr  Zr18  1  0.429983  0.464422  0.288158  1
  Zr  Zr19  1  0.698399  0.222489  0.340426  1
  Zr  Zr20  1  0.997572  0.187552  0.303285  1
  Zr  Zr21  1  0.394204  0.302681  0.376251  1
  Zr  Zr22  1  0.952600  0.815399  0.326700  1
  Zr  Zr23  1  0.255243  0.747465  0.291231  1
  Zr  Zr24  1  0.650549  0.874421  0.363828  1
  Zr  Zr25  1  0.103837  0.524965  0.474200  1
  Zr  Zr26  1  0.405119  0.459844  0.437272  1
  Zr  Zr27  1  0.706514  0.392226  0.400198  1
  Zr  Zr28  1  0.736420  0.909035  0.414164  1
  Zr  Zr29  1  0.133181  0.042377  0.487966  1
  Zr  Zr30  1  0.434502  0.976294  0.450972  1
  Zr  Zr31  1  0.872594  0.084637  0.417706  1
  Zr  Zr32  1  0.270056  0.215154  0.492150  1
  Zr  Zr33  1  0.571728  0.148267  0.455651  1
  Zr  Zr34  1  0.967340  0.351482  0.469847  1
  Zr  Zr35  1  0.267972  0.287736  0.432630  1
  Zr  Zr36  1  0.569680  0.218890  0.396757  1
  Zr  Zr37  1  0.914177  0.630054  0.413869  1
  Zr  Zr38  1  0.311143  0.760357  0.487967  1
  Zr  Zr39  1  0.612345  0.692772  0.451247  1
  Zr  Zr40  1  0.926172  0.805048  0.474142  1
  Zr  Zr41  1  0.227455  0.742945  0.437110  1
  Zr  Zr42  1  0.528323  0.675058  0.400151  1
  Zr  Zr43  1  0.792242  0.426957  0.450494  1
  Zr  Zr44  1  0.094159  0.365186  0.413096  1
  Zr  Zr45  1  0.490965  0.492268  0.487969  1
  Zr  Zr46  1  0.047325  0.008256  0.437809  1
  Zr  Zr47  1  0.348243  0.943078  0.400677  1
  Zr  Zr48  1  0.746534  0.069794  0.475007  1
  Zr  Zr49  1  0.199496  0.719851  0.585329  1
  Zr  Zr50  1  0.501440  0.653044  0.548725  1
  Zr  Zr51  1  0.802885  0.586346  0.511428  1
  Zr  Zr52  1  0.832046  0.103504  0.525266  1
  Zr  Zr53  1  0.229356  0.236401  0.599375  1
  Zr  Zr54  1  0.530877  0.169446  0.562488  1
  Zr  Zr55  1  0.968642  0.277062  0.529538  1
  Zr  Zr56  1  0.366238  0.409750  0.602894  1
  Zr  Zr57  1  0.667852  0.341576  0.567055  1
  Zr  Zr58  1  0.063370  0.543983  0.581764  1
  Zr  Zr59  1  0.364275  0.480796  0.543993  1
  Zr  Zr60  1  0.666001  0.413758  0.507532  1
  Zr  Zr61  1  0.009773  0.823594  0.525298  1
  Zr  Zr62  1  0.407534  0.953649  0.599367  1
  Zr  Zr63  1  0.708430  0.886215  0.562538  1
  Zr  Zr64  1  0.021737  0.998722  0.585599  1
  Zr  Zr65  1  0.323594  0.936075  0.548342  1
  Zr  Zr66  1  0.624913  0.868829  0.511683  1
  Zr  Zr67  1  0.888606  0.620363  0.561626  1
  Zr  Zr68  1  0.189334  0.558983  0.524505  1
  Zr  Zr69  1  0.587542  0.686172  0.599157  1
  Zr  Zr70  1  0.143641  0.201830  0.548982  1
  Zr  Zr71  1  0.445197  0.136757  0.511735  1
  Zr  Zr72  1  0.842092  0.262784  0.586270  1
  Zr  Zr73  1  0.300188  0.914448  0.695379  1
  Zr  Zr74  1  0.594934  0.849240  0.659628  1
  Zr  Zr75  1  0.899365  0.777317  0.622415  1
  Zr  Zr76  1  0.927143  0.292068  0.636234  1
  Zr  Zr77  1  0.335027  0.452146  0.707396  1
  Zr  Zr78  1  0.627703  0.364685  0.675000  1
  Zr  Zr79  1  0.065051  0.469344  0.642574  1
  Zr  Zr80  1  0.453830  0.580977  0.713437  1
  Zr  Zr81  1  0.762291  0.543107  0.679604  1
  Zr  Zr82  1  0.160731  0.740093  0.694212  1
  Zr  Zr83  1  0.459952  0.678850  0.655842  1
  Zr  Zr84  1  0.761882  0.606050  0.618830  1
  Zr  Zr85  1  0.105282  0.016728  0.636709  1
  Zr  Zr86  1  0.502648  0.161290  0.710691  1
  Zr  Zr87  1  0.803475  0.083732  0.674039  1
  Zr  Zr88  1  0.119645  0.187407  0.695476  1
  Zr  Zr89  1  0.416583  0.128061  0.659451  1
  Zr  Zr90  1  0.721700  0.059810  0.622760  1
  Zr  Zr91  1  0.983158  0.813648  0.672756  1
  Zr  Zr92  1  0.285261  0.754277  0.635795  1
  Zr  Zr93  1  0.679025  0.890722  0.708214  1
  Zr  Zr94  1  0.237109  0.407660  0.659107  1
  Zr  Zr95  1  0.542038  0.326919  0.623608  1
  Zr  Zr96  1  0.938260  0.440753  0.696102  1
  Ni  Ni97  1  0.673567  0.552139  0.350796  1
  Ni  Ni98  1  0.975289  0.504987  0.312798  1
  Ni  Ni99  1  0.285202  0.444478  0.277063  1
  Ni  Ni100  1  0.910500  0.379335  0.333560  1
  Ni  Ni101  1  0.214170  0.317018  0.295984  1
  Ni  Ni102  1  0.608570  0.430906  0.371155  1
  Ni  Ni103  1  0.738569  0.676037  0.330941  1
  Ni  Ni104  1  0.041510  0.636399  0.295025  1
  Ni  Ni105  1  0.437889  0.740152  0.367251  1
  Ni  Ni106  1  0.975444  0.084522  0.347869  1
  Ni  Ni107  1  0.279123  0.016059  0.310332  1
  Ni  Ni108  1  0.672846  0.140422  0.386865  1
  Ni  Ni109  1  0.673983  0.961515  0.316745  1
  Ni  Ni110  1  0.979872  0.932356  0.283884  1
  Ni  Ni111  1  0.371732  0.039110  0.355202  1
  Ni  Ni112  1  0.909964  0.373065  0.384546  1
  Ni  Ni113  1  0.211092  0.309919  0.346395  1
  Ni  Ni114  1  0.506298  0.261883  0.313656  1
  Ni  Ni115  1  0.731979  0.682601  0.282220  1
  Ni  Ni116  1  0.134395  0.809239  0.355796  1
  Ni  Ni117  1  0.441703  0.720418  0.314501  1
  Ni  Ni118  1  0.703624  0.191024  0.289251  1
  Ni  Ni119  1  0.115177  0.316089  0.359029  1
  Ni  Ni120  1  0.414695  0.238841  0.324120  1
  Ni  Ni121  1  0.773780  0.396157  0.351502  1
  Ni  Ni122  1  0.076822  0.334699  0.312545  1
  Ni  Ni123  1  0.378797  0.248366  0.278807  1
  Ni  Ni124  1  0.871594  0.655595  0.313152  1
  Ni  Ni125  1  0.271230  0.781088  0.388057  1
  Ni  Ni126  1  0.573763  0.707193  0.350277  1
  Ni  Ni127  1  0.846033  0.900100  0.344515  1
  Ni  Ni128  1  0.155954  0.805828  0.310689  1
  Ni  Ni129  1  0.549751  0.949615  0.382283  1
  Ni  Ni130  1  0.795890  0.162250  0.318049  1
  Ni  Ni131  1  0.093816  0.043960  0.289940  1
  Ni  Ni132  1  0.496824  0.213561  0.359053  1
  Ni  Ni133  1  0.749884  0.911755  0.358221  1
  Ni  Ni134  1  0.054119  0.862884  0.320712  1
  Ni  Ni135  1  0.356194  0.768351  0.286911  1
  Ni  Ni136  1  0.900677  0.149575  0.306785  1
  Ni  Ni137  1  0.294164  0.265767  0.380582  1
  Ni  Ni138  1  0.597586  0.193745  0.344693  1
  Ni  Ni139  1  0.780065  0.131404  0.377236  1
  Ni  Ni140  1  0.081164  0.078356  0.340718  1
  Ni  Ni141  1  0.385828  0.997131  0.306347  1
  Ni  Ni142  1  0.869126  0.934413  0.294646  1
  Ni  Ni143  1  0.266154  0.046123  0.361742  1
  Ni  Ni144  1  0.566375  0.979173  0.326926  1
  Ni  Ni145  1  0.736223  0.642027  0.384111  1
  Ni  Ni146  1  0.038560  0.582549  0.346016  1
  Ni  Ni147  1  0.340882  0.514347  0.311256  1
  Ni  Ni148  1  0.911509  0.405693  0.282723  1
  Ni  Ni149  1  0.309212  0.533741  0.356237  1
  Ni  Ni150  1  0.615275  0.444937  0.317398  1
  Ni  Ni151  1  0.931191  0.613647  0.357926  1
  Ni  Ni152  1  0.235397  0.544886  0.321722  1
  Ni  Ni153  1  0.534060  0.485663  0.285924  1
  Ni  Ni154  1  0.716969  0.439451  0.306992  1
  Ni  Ni155  1  0.114113  0.568378  0.380794  1
  Ni  Ni156  1  0.418797  0.496067  0.343012  1
  Ni  Ni157  1  0.929379  0.867322  0.378566  1
  Ni  Ni158  1  0.233761  0.805333  0.341622  1
  Ni  Ni159  1  0.533570  0.740453  0.304424  1
  Ni  Ni160  1  0.769360  0.748303  0.462749  1
  Ni  Ni161  1  0.070409  0.687219  0.425486  1
  Ni  Ni162  1  0.372618  0.619775  0.388429  1
  Ni  Ni163  1  1.005220  0.565067  0.445242  1
  Ni  Ni164  1  0.305775  0.501183  0.408341  1
  Ni  Ni165  1  0.703690  0.626748  0.482748  1
  Ni  Ni166  1  0.835133  0.870374  0.442782  1
  Ni  Ni167  1  0.135970  0.809329  0.406020  1
  Ni  Ni168  1  0.533801  0.935294  0.479946  1
  Ni  Ni169  1  0.070692  0.274906  0.460286  1
  Ni  Ni170  1  0.371532  0.209294  0.423038  1
  Ni  Ni171  1  0.769381  0.336644  0.497646  1
  Ni  Ni172  1  0.769342  0.160454  0.428197  1
  Ni  Ni173  1  0.070378  0.099398  0.391437  1
  Ni  Ni174  1  0.468249  0.226320  0.464836  1
  Ni  Ni175  1  1.005908  0.565622  0.496027  1
  Ni  Ni176  1  0.306848  0.501536  0.458952  1
  Ni  Ni177  1  0.608036  0.434391  0.422150  1
  Ni  Ni178  1  0.833981  0.867796  0.392142  1
  Ni  Ni179  1  0.231390  0.000952  0.466111  1
  Ni  Ni180  1  0.532747  0.934234  0.429264  1
  Ni  Ni181  1  0.812929  0.375663  0.397754  1
  Ni  Ni182  1  0.209838  0.508027  0.472065  1
  Ni  Ni183  1  0.510915  0.441959  0.435397  1
  Ni  Ni184  1  0.870129  0.591694  0.463017  1
  Ni  Ni185  1  0.171195  0.529617  0.425713  1
  Ni  Ni186  1  0.472975  0.462239  0.388743  1
  Ni  Ni187  1  0.969474  0.844594  0.424927  1
  Ni  Ni188  1  0.367263  0.972330  0.499235  1
  Ni  Ni189  1  0.668613  0.905185  0.462532  1
  Ni  Ni190  1  0.945550  0.085736  0.456265  1
  Ni  Ni191  1  0.246167  0.024251  0.418889  1
  Ni  Ni192  1  0.644898  0.147891  0.493634  1
  Ni  Ni193  1  0.894067  0.350177  0.431760  1
  Ni  Ni194  1  0.194761  0.289382  0.393983  1
  Ni  Ni195  1  0.592717  0.413990  0.469314  1
  Ni  Ni196  1  0.845779  0.108429  0.469703  1
  Ni  Ni197  1  0.146980  0.046805  0.432400  1
  Ni  Ni198  1  0.448566  0.980296  0.395459  1
  Ni  Ni199  1  0.994196  0.327684  0.418119  1
  Ni  Ni200  1  0.391136  0.456317  0.492406  1
  Ni  Ni201  1  0.692635  0.390062  0.455519  1
  Ni  Ni202  1  0.875243  0.325871  0.487276  1
  Ni  Ni203  1  0.176116  0.264208  0.450215  1
  Ni  Ni204  1  0.477007  0.197989  0.413584  1
  Ni  Ni205  1  0.964540  0.110712  0.400409  1
  Ni  Ni206  1  0.362316  0.238030  0.474768  1
  Ni  Ni207  1  0.663907  0.171224  0.438267  1
  Ni  Ni208  1  0.831974  0.836740  0.495433  1
  Ni  Ni209  1  0.132923  0.775113  0.458295  1
  Ni  Ni210  1  0.434056  0.710432  0.420797  1
  Ni  Ni211  1  0.007904  0.601144  0.392536  1
  Ni  Ni212  1  0.405819  0.725773  0.466950  1
  Ni  Ni213  1  0.706884  0.658974  0.430031  1
  Ni  Ni214  1  0.026373  0.805601  0.469807  1
  Ni  Ni215  1  0.327998  0.740257  0.432653  1
  Ni  Ni216  1  0.629319  0.671101  0.395732  1
  Ni  Ni217  1  0.813721  0.628388  0.418412  1
  Ni  Ni218  1  0.210558  0.761556  0.492437  1
  Ni  Ni219  1  0.511745  0.695329  0.455486  1
  Ni  Ni220  1  0.026966  0.058776  0.490183  1
  Ni  Ni221  1  0.328276  0.994249  0.452916  1
  Ni  Ni222  1  0.630413  0.925211  0.416324  1
  Ni  Ni223  1  0.865543  0.940954  0.573982  1
  Ni  Ni224  1  0.166545  0.880543  0.536735  1
  Ni  Ni225  1  0.468061  0.814574  0.499831  1
  Ni  Ni226  1  0.100789  0.758345  0.556696  1
  Ni  Ni227  1  0.402298  0.693775  0.519709  1
  Ni  Ni228  1  0.799916  0.819313  0.593547  1
  Ni  Ni229  1  0.930757  0.063424  0.554182  1
  Ni  Ni230  1  0.232223  0.002100  0.516801  1
  Ni  Ni231  1  0.630043  0.128574  0.591438  1
  Ni  Ni232  1  0.166629  0.468256  0.571306  1
  Ni  Ni233  1  0.467801  0.402833  0.534889  1
  Ni  Ni234  1  0.865383  0.528993  0.607879  1
  Ni  Ni235  1  0.865302  0.353586  0.539110  1
  Ni  Ni236  1  0.166593  0.292069  0.501822  1
  Ni  Ni237  1  0.564299  0.420055  0.576670  1
  Ni  Ni238  1  0.101869  0.761133  0.607321  1
  Ni  Ni239  1  0.403192  0.694612  0.570397  1
  Ni  Ni240  1  0.704624  0.628111  0.533398  1
  Ni  Ni241  1  0.930037  0.062953  0.503408  1
  Ni  Ni242  1  0.327824  0.194625  0.577431  1
  Ni  Ni243  1  0.629107  0.127664  0.540765  1
  Ni  Ni244  1  0.909091  0.569814  0.509239  1
  Ni  Ni245  1  0.305492  0.703463  0.583277  1
  Ni  Ni246  1  0.607593  0.635185  0.546743  1
  Ni  Ni247  1  0.966512  0.783963  0.574503  1
  Ni  Ni248  1  0.267305  0.723774  0.537058  1
  Ni  Ni249  1  0.568832  0.656696  0.500400  1
  Ni  Ni250  1  0.065792  0.036990  0.536450  1
  Ni  Ni251  1  0.463097  0.166383  0.610888  1
  Ni  Ni252  1  0.764816  0.098871  0.573780  1
  Ni  Ni253  1  0.041891  0.278493  0.567697  1
  Ni  Ni254  1  0.343306  0.215028  0.530304  1
  Ni  Ni255  1  0.741315  0.339467  0.605164  1
  Ni  Ni256  1  0.990428  0.542766  0.543186  1
  Ni  Ni257  1  0.291057  0.481131  0.505999  1
  Ni  Ni258  1  0.689196  0.606331  0.580531  1
  Ni  Ni259  1  0.941868  0.301110  0.581252  1
  Ni  Ni260  1  0.243288  0.238543  0.544087  1
  Ni  Ni261  1  0.544941  0.172896  0.507283  1
  Ni  Ni262  1  0.090125  0.520207  0.529780  1
  Ni  Ni263  1  0.487384  0.648842  0.604260  1
  Ni  Ni264  1  0.788923  0.582274  0.566880  1
  Ni  Ni265  1  0.971423  0.518057  0.599037  1
  Ni  Ni266  1  0.272017  0.457540  0.561195  1
  Ni  Ni267  1  0.573740  0.391299  0.524973  1
  Ni  Ni268  1  0.060711  0.302731  0.512167  1
  Ni  Ni269  1  0.458953  0.431128  0.586187  1
  Ni  Ni270  1  0.759779  0.364647  0.549309  1
  Ni  Ni271  1  0.928078  0.027140  0.606899  1
  Ni  Ni272  1  0.229001  0.969974  0.569514  1
  Ni  Ni273  1  0.530279  0.903347  0.532719  1
  Ni  Ni274  1  0.104000  0.791966  0.504041  1
  Ni  Ni275  1  0.501908  0.918766  0.578820  1
  Ni  Ni276  1  0.802945  0.853498  0.541204  1
  Ni  Ni277  1  0.122196  0.000394  0.581094  1
  Ni  Ni278  1  0.424223  0.933822  0.544142  1
  Ni  Ni279  1  0.725490  0.867113  0.507120  1
  Ni  Ni280  1  0.909550  0.823016  0.529639  1
  Ni  Ni281  1  0.306653  0.957295  0.603860  1
  Ni  Ni282  1  0.607909  0.889018  0.567112  1
  Ni  Ni283  1  0.122997  0.253023  0.601758  1
  Ni  Ni284  1  0.425045  0.187134  0.564259  1
  Ni  Ni285  1  0.725998  0.120666  0.527487  1
  Ni  Ni286  1  0.959935  0.124832  0.686655  1
  Ni  Ni287  1  0.262565  0.076595  0.648737  1
  Ni  Ni288  1  0.563281  0.009865  0.611355  1
  Ni  Ni289  1  0.197495  0.953421  0.668574  1
  Ni  Ni290  1  0.497876  0.888563  0.632239  1
  Ni  Ni291  1  0.893923  0.992950  0.704347  1
  Ni  Ni292  1  0.025312  0.249661  0.665926  1
  Ni  Ni293  1  0.327271  0.197644  0.628378  1
  Ni  Ni294  1  0.725889  0.320459  0.701866  1
  Ni  Ni295  1  0.261492  0.669371  0.683031  1
  Ni  Ni296  1  0.564225  0.591706  0.645128  1
  Ni  Ni297  1  0.955062  0.696673  0.715442  1
  Ni  Ni298  1  0.960627  0.544570  0.651592  1
  Ni  Ni299  1  0.262993  0.488252  0.612589  1
  Ni  Ni300  1  0.656839  0.616046  0.689665  1
  Ni  Ni301  1  0.204258  0.945802  0.717247  1
  Ni  Ni302  1  0.494450  0.902211  0.684503  1
  Ni  Ni303  1  0.800950  0.819538  0.643902  1
  Ni  Ni304  1  0.025991  0.255766  0.614924  1
  Ni  Ni305  1  0.428199  0.367511  0.685951  1
  Ni  Ni306  1  0.725471  0.321335  0.652625  1
  Ni  Ni307  1  0.006481  0.761306  0.620904  1
  Ni  Ni308  1  0.403068  0.885246  0.695284  1
  Ni  Ni309  1  0.701901  0.827471  0.658050  1
  Ni  Ni310  1  0.063669  0.973998  0.686337  1
  Ni  Ni311  1  0.362430  0.920191  0.649311  1
  Ni  Ni312  1  0.664503  0.849032  0.611696  1
  Ni  Ni313  1  0.162200  0.232842  0.648019  1
  Ni  Ni314  1  0.558158  0.370501  0.720416  1
  Ni  Ni315  1  0.857968  0.296381  0.686961  1
  Ni  Ni316  1  0.139685  0.467102  0.681463  1
  Ni  Ni317  1  0.439332  0.413233  0.640702  1
  Ni  Ni318  1  0.842660  0.587453  0.709328  1
  Ni  Ni319  1  0.089694  0.729072  0.654937  1
  Ni  Ni320  1  0.386309  0.678348  0.617389  1
  Ni  Ni321  1  0.779497  0.828836  0.689499  1
  Ni  Ni322  1  0.035035  0.479522  0.692746  1
  Ni  Ni323  1  0.337880  0.435398  0.654891  1
  Ni  Ni324  1  0.641906  0.364420  0.619309  1
  Ni  Ni325  1  0.185891  0.717725  0.641239  1
  Ni  Ni326  1  0.578792  0.862461  0.712626  1
  Ni  Ni327  1  0.881431  0.766978  0.678513  1
  Ni  Ni328  1  0.066532  0.694836  0.704845  1
  Ni  Ni329  1  0.369169  0.649601  0.672824  1
  Ni  Ni330  1  0.669566  0.585117  0.638294  1
  Ni  Ni331  1  0.155763  0.497669  0.622209  1
  Ni  Ni332  1  0.551057  0.627498  0.694280  1
  Ni  Ni333  1  0.855325  0.550518  0.658472  1
  Ni  Ni334  1  0.024232  0.223298  0.716752  1
  Ni  Ni335  1  0.320037  0.185390  0.681878  1
  Ni  Ni336  1  0.626447  0.097055  0.643811  1
  Ni  Ni337  1  0.199694  0.986639  0.615439  1
  Ni  Ni338  1  0.595369  0.118848  0.689058  1
  Ni  Ni339  1  0.897370  0.047285  0.653359  1
  Ni  Ni340  1  0.219018  0.189779  0.692548  1
  Ni  Ni341  1  0.517162  0.131922  0.656709  1
  Ni  Ni342  1  0.821816  0.060257  0.618682  1
  Ni  Ni343  1  1.004535  0.015472  0.641548  1
  Ni  Ni344  1  0.398757  0.142650  0.713741  1
  Ni  Ni345  1  0.701399  0.088476  0.677301  1
  Ni  Ni346  1  0.230895  0.439683  0.710378  1
  Ni  Ni347  1  0.521612  0.388129  0.675577  1
  Ni  Ni348  1  0.820843  0.313810  0.640310  1
