# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69115733
_cell_length_b   23.76478613
_cell_length_c   50.70166908
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.71523419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10463.7749408
_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  0.504465  0.778960  0.297220  1
  Zr  Zr2  1  0.610663  0.415158  0.333436  1
  Zr  Zr3  1  0.701412  0.050836  0.370311  1
  Zr  Zr4  1  0.165089  0.053585  0.350380  1
  Zr  Zr5  1  0.256969  0.687094  0.387818  1
  Zr  Zr6  1  0.083605  0.412312  0.314982  1
  Zr  Zr7  1  0.872460  0.959493  0.304352  1
  Zr  Zr8  1  0.962300  0.593126  0.336470  1
  Zr  Zr9  1  0.075080  0.230472  0.375905  1
  Zr  Zr10  1  0.792965  0.873214  0.346210  1
  Zr  Zr11  1  0.891202  0.506949  0.381660  1
  Zr  Zr12  1  0.705470  0.240085  0.308177  1
  Zr  Zr13  1  0.264909  0.918617  0.293804  1
  Zr  Zr14  1  0.361895  0.560458  0.326838  1
  Zr  Zr15  1  0.474809  0.195405  0.364594  1
  Zr  Zr16  1  0.395883  0.907824  0.355494  1
  Zr  Zr17  1  0.483958  0.542937  0.392489  1
  Zr  Zr18  1  0.286335  0.274277  0.318843  1
  Zr  Zr19  1  0.597229  0.068665  0.305713  1
  Zr  Zr20  1  0.681711  0.699779  0.342163  1
  Zr  Zr21  1  0.787529  0.332865  0.380111  1
  Zr  Zr22  1  0.070605  0.770176  0.343469  1
  Zr  Zr23  1  0.176829  0.404181  0.379677  1
  Zr  Zr24  1  0.969247  0.131742  0.306365  1
  Zr  Zr25  1  0.800123  0.684528  0.406736  1
  Zr  Zr26  1  0.898979  0.318988  0.444126  1
  Zr  Zr27  1  0.996140  0.953341  0.480640  1
  Zr  Zr28  1  0.457806  0.957600  0.462282  1
  Zr  Zr29  1  0.555737  0.592264  0.499381  1
  Zr  Zr30  1  0.360022  0.322918  0.425560  1
  Zr  Zr31  1  0.173455  0.865400  0.412772  1
  Zr  Zr32  1  0.270226  0.500046  0.450196  1
  Zr  Zr33  1  0.368065  0.134527  0.487275  1
  Zr  Zr34  1  0.086362  0.776680  0.455712  1
  Zr  Zr35  1  0.183459  0.411490  0.492984  1
  Zr  Zr36  1  0.989619  0.142161  0.418716  1
  Zr  Zr37  1  0.575831  0.830478  0.401763  1
  Zr  Zr38  1  0.672716  0.465461  0.438834  1
  Zr  Zr39  1  0.771672  0.099604  0.476034  1
  Zr  Zr40  1  0.682113  0.811666  0.467083  1
  Zr  Zr41  1  0.779598  0.446428  0.504237  1
  Zr  Zr42  1  0.583858  0.177194  0.430268  1
  Zr  Zr43  1  0.888500  0.968767  0.415644  1
  Zr  Zr44  1  0.984890  0.602688  0.452162  1
  Zr  Zr45  1  0.083012  0.237483  0.489558  1
  Zr  Zr46  1  0.371115  0.673389  0.453267  1
  Zr  Zr47  1  0.468798  0.308423  0.490784  1
  Zr  Zr48  1  0.272770  0.038833  0.416422  1
  Zr  Zr49  1  0.093418  0.588036  0.517740  1
  Zr  Zr50  1  0.191349  0.222699  0.554839  1
  Zr  Zr51  1  0.289133  0.857382  0.591561  1
  Zr  Zr52  1  0.750176  0.861311  0.572995  1
  Zr  Zr53  1  0.849032  0.495772  0.610385  1
  Zr  Zr54  1  0.653015  0.226958  0.536481  1
  Zr  Zr55  1  0.465696  0.768809  0.524137  1
  Zr  Zr56  1  0.562793  0.403620  0.561409  1
  Zr  Zr57  1  0.659536  0.038138  0.598405  1
  Zr  Zr58  1  0.378929  0.680254  0.566925  1
  Zr  Zr59  1  0.475700  0.314899  0.604349  1
  Zr  Zr60  1  0.281090  0.045772  0.529846  1
  Zr  Zr61  1  0.869557  0.733872  0.512884  1
  Zr  Zr62  1  0.967041  0.368634  0.550038  1
  Zr  Zr63  1  0.065297  0.003105  0.586853  1
  Zr  Zr64  1  0.976439  0.714838  0.578287  1
  Zr  Zr65  1  0.073324  0.349822  0.615358  1
  Zr  Zr66  1  0.877483  0.080695  0.541087  1
  Zr  Zr67  1  0.180357  0.871877  0.526337  1
  Zr  Zr68  1  0.278040  0.506910  0.563854  1
  Zr  Zr69  1  0.376385  0.141466  0.600699  1
  Zr  Zr70  1  0.664265  0.577611  0.564959  1
  Zr  Zr71  1  0.760655  0.211532  0.601477  1
  Zr  Zr72  1  0.566143  0.942816  0.527563  1
  Zr  Zr73  1  0.392186  0.493205  0.629303  1
  Zr  Zr74  1  0.484066  0.126714  0.666741  1
  Zr  Zr75  1  0.565550  0.767987  0.702139  1
  Zr  Zr76  1  0.038492  0.765141  0.683685  1
  Zr  Zr77  1  0.144689  0.401339  0.719901  1
  Zr  Zr78  1  0.947742  0.129464  0.646810  1
  Zr  Zr79  1  0.757953  0.673351  0.635461  1
  Zr  Zr80  1  0.856190  0.307085  0.670911  1
  Zr  Zr81  1  0.943685  0.940214  0.708944  1
  Zr  Zr82  1  0.686855  0.587173  0.680651  1
  Zr  Zr83  1  0.776695  0.220806  0.712769  1
  Zr  Zr84  1  0.574074  0.949827  0.641216  1
  Zr  Zr85  1  0.165197  0.637362  0.624632  1
  Zr  Zr86  1  0.253272  0.272475  0.661627  1
  Zr  Zr87  1  0.362820  0.906023  0.698278  1
  Zr  Zr88  1  0.287260  0.619841  0.690283  1
  Zr  Zr89  1  0.384246  0.261683  0.723317  1
  Zr  Zr90  1  0.174346  0.984894  0.652527  1
  Zr  Zr91  1  0.472326  0.776118  0.637444  1
  Zr  Zr92  1  0.578550  0.410124  0.673652  1
  Zr  Zr93  1  0.679907  0.048557  0.710756  1
  Zr  Zr94  1  0.967444  0.480520  0.674958  1
  Zr  Zr95  1  0.051925  0.111634  0.711408  1
  Zr  Zr96  1  0.861626  0.847434  0.637010  1
  Ni  Ni97  1  0.287139  0.098183  0.302773  1
  Ni  Ni98  1  0.378804  0.734325  0.341269  1
  Ni  Ni99  1  0.485402  0.368750  0.379042  1
  Ni  Ni100  1  0.560218  0.809355  0.347490  1
  Ni  Ni101  1  0.658035  0.444547  0.385754  1
  Ni  Ni102  1  0.459552  0.176944  0.311471  1
  Ni  Ni103  1  0.106410  0.022592  0.298914  1
  Ni  Ni104  1  0.200466  0.659766  0.334740  1
  Ni  Ni105  1  0.308155  0.294329  0.372451  1
  Ni  Ni106  1  0.795220  0.783350  0.315651  1
  Ni  Ni107  1  0.892564  0.414563  0.353996  1
  Ni  Ni108  1  0.987724  0.053230  0.390786  1
  Ni  Ni109  1  0.876671  0.049695  0.330971  1
  Ni  Ni110  1  0.971411  0.682849  0.365762  1
  Ni  Ni111  1  0.809729  0.399523  0.296721  1
  Ni  Ni112  1  0.565133  0.887511  0.310862  1
  Ni  Ni113  1  0.638215  0.519340  0.349402  1
  Ni  Ni114  1  0.737968  0.153429  0.387430  1
  Ni  Ni115  1  0.125022  0.949512  0.333329  1
  Ni  Ni116  1  0.215868  0.583507  0.369587  1
  Ni  Ni117  1  0.003603  0.308764  0.296305  1
  Ni  Ni118  1  0.638512  0.975945  0.336356  1
  Ni  Ni119  1  0.730680  0.606990  0.372591  1
  Ni  Ni120  1  0.551832  0.339003  0.300280  1
  Ni  Ni121  1  0.653443  0.934972  0.382708  1
  Ni  Ni122  1  0.441199  0.665408  0.307127  1
  Ni  Ni123  1  0.550423  0.296953  0.345091  1
  Ni  Ni124  1  0.312013  0.804101  0.374924  1
  Ni  Ni125  1  0.107167  0.523098  0.299889  1
  Ni  Ni126  1  0.214585  0.167028  0.337037  1
  Ni  Ni127  1  0.091723  0.871255  0.361092  1
  Ni  Ni128  1  0.844656  0.575477  0.289662  1
  Ni  Ni129  1  0.989460  0.231130  0.326528  1
  Ni  Ni130  1  0.880438  0.867425  0.395176  1
  Ni  Ni131  1  0.655078  0.600340  0.322561  1
  Ni  Ni132  1  0.776243  0.232581  0.358615  1
  Ni  Ni133  1  0.160990  0.961565  0.384676  1
  Ni  Ni134  1  0.955378  0.690909  0.312673  1
  Ni  Ni135  1  0.064232  0.325102  0.347751  1
  Ni  Ni136  1  0.803252  0.775871  0.373025  1
  Ni  Ni137  1  0.614242  0.506785  0.300762  1
  Ni  Ni138  1  0.706266  0.143488  0.336439  1
  Ni  Ni139  1  0.907754  0.966004  0.361471  1
  Ni  Ni140  1  0.709450  0.680723  0.291374  1
  Ni  Ni141  1  0.809503  0.325003  0.329089  1
  Ni  Ni142  1  0.056365  0.771768  0.396846  1
  Ni  Ni143  1  0.862001  0.492982  0.322567  1
  Ni  Ni144  1  0.958864  0.138019  0.359194  1
  Ni  Ni145  1  0.426407  0.008124  0.372460  1
  Ni  Ni146  1  0.214019  0.741240  0.300757  1
  Ni  Ni147  1  0.335999  0.371731  0.336438  1
  Ni  Ni148  1  0.533576  0.730743  0.385244  1
  Ni  Ni149  1  0.353260  0.459914  0.311215  1
  Ni  Ni150  1  0.442606  0.095767  0.346800  1
  Ni  Ni151  1  0.294816  0.832062  0.324959  1
  Ni  Ni152  1  0.390604  0.466342  0.361030  1
  Ni  Ni153  1  0.182435  0.197840  0.290014  1
  Ni  Ni154  1  0.374599  0.002378  0.322013  1
  Ni  Ni155  1  0.463568  0.636454  0.358639  1
  Ni  Ni156  1  0.572012  0.271421  0.396552  1
  Ni  Ni157  1  0.025038  0.857615  0.310831  1
  Ni  Ni158  1  0.130682  0.494815  0.347010  1
  Ni  Ni159  1  0.230248  0.131069  0.384591  1
  Ni  Ni160  1  0.580049  0.004214  0.416180  1
  Ni  Ni161  1  0.678222  0.638113  0.452872  1
  Ni  Ni162  1  0.775864  0.272929  0.490245  1
  Ni  Ni163  1  0.852716  0.713029  0.459765  1
  Ni  Ni164  1  0.950488  0.347785  0.497013  1
  Ni  Ni165  1  0.755613  0.078848  0.423081  1
  Ni  Ni166  1  0.406155  0.929228  0.409027  1
  Ni  Ni167  1  0.502668  0.563677  0.446027  1
  Ni  Ni168  1  0.601084  0.198295  0.483356  1
  Ni  Ni169  1  0.085214  0.687446  0.428427  1
  Ni  Ni170  1  0.182927  0.322433  0.465383  1
  Ni  Ni171  1  0.280134  0.956779  0.502086  1
  Ni  Ni172  1  0.174311  0.954065  0.440807  1
  Ni  Ni173  1  0.271200  0.588848  0.477902  1
  Ni  Ni174  1  0.076127  0.319498  0.404003  1
  Ni  Ni175  1  0.834636  0.788025  0.424129  1
  Ni  Ni176  1  0.932523  0.422417  0.461182  1
  Ni  Ni177  1  0.031174  0.056567  0.498032  1
  Ni  Ni178  1  0.422531  0.854274  0.444784  1
  Ni  Ni179  1  0.520102  0.489324  0.482078  1
  Ni  Ni180  1  0.323699  0.219202  0.407867  1
  Ni  Ni181  1  0.930098  0.875343  0.446458  1
  Ni  Ni182  1  0.026704  0.509997  0.483712  1
  Ni  Ni183  1  0.832392  0.240431  0.409902  1
  Ni  Ni184  1  0.945520  0.837553  0.493308  1
  Ni  Ni185  1  0.748647  0.568358  0.419076  1
  Ni  Ni186  1  0.847945  0.203015  0.456553  1
  Ni  Ni187  1  0.606040  0.707801  0.486481  1
  Ni  Ni188  1  0.410474  0.439117  0.412385  1
  Ni  Ni189  1  0.508040  0.073558  0.449592  1
  Ni  Ni190  1  0.381599  0.774093  0.473346  1
  Ni  Ni191  1  0.185304  0.504771  0.399474  1
  Ni  Ni192  1  0.284045  0.139425  0.436388  1
  Ni  Ni193  1  0.170250  0.771117  0.506362  1
  Ni  Ni194  1  0.973801  0.502169  0.432422  1
  Ni  Ni195  1  0.072874  0.136744  0.469388  1
  Ni  Ni196  1  0.451754  0.865199  0.496120  1
  Ni  Ni197  1  0.255295  0.595821  0.421546  1
  Ni  Ni198  1  0.354485  0.230748  0.459255  1
  Ni  Ni199  1  0.099771  0.680252  0.483669  1
  Ni  Ni200  1  0.904244  0.411244  0.410036  1
  Ni  Ni201  1  0.002462  0.045897  0.446865  1
  Ni  Ni202  1  0.200775  0.869388  0.472237  1
  Ni  Ni203  1  0.002105  0.600599  0.398071  1
  Ni  Ni204  1  0.103313  0.234977  0.435529  1
  Ni  Ni205  1  0.350918  0.676079  0.507540  1
  Ni  Ni206  1  0.155339  0.407223  0.433765  1
  Ni  Ni207  1  0.253445  0.041618  0.470595  1
  Ni  Ni208  1  0.718863  0.911202  0.483675  1
  Ni  Ni209  1  0.522685  0.642292  0.409455  1
  Ni  Ni210  1  0.622290  0.276825  0.446787  1
  Ni  Ni211  1  0.833130  0.634336  0.496176  1
  Ni  Ni212  1  0.635569  0.365869  0.422750  1
  Ni  Ni213  1  0.734859  0.000127  0.459402  1
  Ni  Ni214  1  0.586825  0.735233  0.435682  1
  Ni  Ni215  1  0.684384  0.369880  0.472948  1
  Ni  Ni216  1  0.488029  0.100961  0.398612  1
  Ni  Ni217  1  0.671699  0.907084  0.433354  1
  Ni  Ni218  1  0.768868  0.541569  0.470276  1
  Ni  Ni219  1  0.866872  0.176182  0.507418  1
  Ni  Ni220  1  0.328378  0.766102  0.421900  1
  Ni  Ni221  1  0.426701  0.401549  0.459423  1
  Ni  Ni222  1  0.524572  0.035920  0.496416  1
  Ni  Ni223  1  0.873291  0.907370  0.526876  1
  Ni  Ni224  1  0.970933  0.542186  0.564249  1
  Ni  Ni225  1  0.069106  0.176085  0.600941  1
  Ni  Ni226  1  0.146487  0.616623  0.571094  1
  Ni  Ni227  1  0.243000  0.251071  0.608094  1
  Ni  Ni228  1  0.048071  0.982005  0.533765  1
  Ni  Ni229  1  0.698667  0.832514  0.520108  1
  Ni  Ni230  1  0.796439  0.467270  0.557356  1
  Ni  Ni231  1  0.893542  0.101451  0.594040  1
  Ni  Ni232  1  0.377955  0.591451  0.539219  1
  Ni  Ni233  1  0.474844  0.226234  0.576314  1
  Ni  Ni234  1  0.573028  0.860802  0.613118  1
  Ni  Ni235  1  0.466228  0.857866  0.551738  1
  Ni  Ni236  1  0.563941  0.492853  0.588694  1
  Ni  Ni237  1  0.369021  0.223520  0.515035  1
  Ni  Ni238  1  0.129053  0.690976  0.535043  1
  Ni  Ni239  1  0.226624  0.326025  0.572337  1
  Ni  Ni240  1  0.325456  0.961097  0.609254  1
  Ni  Ni241  1  0.716632  0.757883  0.555939  1
  Ni  Ni242  1  0.814519  0.392274  0.592992  1
  Ni  Ni243  1  0.617981  0.123732  0.519089  1
  Ni  Ni244  1  0.222453  0.778751  0.557698  1
  Ni  Ni245  1  0.320776  0.414198  0.595221  1
  Ni  Ni246  1  0.124583  0.144379  0.520705  1
  Ni  Ni247  1  0.238681  0.741183  0.604736  1
  Ni  Ni248  1  0.043115  0.472499  0.530640  1
  Ni  Ni249  1  0.141115  0.106741  0.567529  1
  Ni  Ni250  1  0.900507  0.611942  0.598045  1
  Ni  Ni251  1  0.703635  0.342746  0.523813  1
  Ni  Ni252  1  0.801210  0.977284  0.560568  1
  Ni  Ni253  1  0.675354  0.678130  0.584699  1
  Ni  Ni254  1  0.478905  0.409183  0.510759  1
  Ni  Ni255  1  0.576281  0.043555  0.547733  1
  Ni  Ni256  1  0.463851  0.675528  0.617647  1
  Ni  Ni257  1  0.267556  0.406206  0.543775  1
  Ni  Ni258  1  0.365110  0.040874  0.580733  1
  Ni  Ni259  1  0.744911  0.769055  0.607085  1
  Ni  Ni260  1  0.549384  0.500047  0.533452  1
  Ni  Ni261  1  0.646693  0.134402  0.570256  1
  Ni  Ni262  1  0.393860  0.584479  0.595575  1
  Ni  Ni263  1  0.197401  0.315100  0.521001  1
  Ni  Ni264  1  0.294670  0.949552  0.557866  1
  Ni  Ni265  1  0.493816  0.773076  0.583356  1
  Ni  Ni266  1  0.298237  0.504221  0.509581  1
  Ni  Ni267  1  0.395710  0.138681  0.546526  1
  Ni  Ni268  1  0.647049  0.579700  0.619050  1
  Ni  Ni269  1  0.448380  0.310911  0.544884  1
  Ni  Ni270  1  0.545842  0.945322  0.581592  1
  Ni  Ni271  1  0.013586  0.814431  0.594371  1
  Ni  Ni272  1  0.816024  0.545963  0.520945  1
  Ni  Ni273  1  0.914296  0.180172  0.557719  1
  Ni  Ni274  1  0.126470  0.538007  0.607666  1
  Ni  Ni275  1  0.930292  0.269098  0.533446  1
  Ni  Ni276  1  0.026865  0.903475  0.570334  1
  Ni  Ni277  1  0.880287  0.638730  0.546845  1
  Ni  Ni278  1  0.977456  0.273215  0.583767  1
  Ni  Ni279  1  0.782283  0.004118  0.509703  1
  Ni  Ni280  1  0.964771  0.810419  0.544173  1
  Ni  Ni281  1  0.062330  0.445066  0.581439  1
  Ni  Ni282  1  0.161126  0.079338  0.618509  1
  Ni  Ni283  1  0.622451  0.670303  0.533409  1
  Ni  Ni284  1  0.719057  0.304957  0.570663  1
  Ni  Ni285  1  0.816763  0.939868  0.607219  1
  Ni  Ni286  1  0.163753  0.811549  0.638079  1
  Ni  Ni287  1  0.270351  0.445975  0.675852  1
  Ni  Ni288  1  0.362016  0.082116  0.714348  1
  Ni  Ni289  1  0.448689  0.520533  0.682381  1
  Ni  Ni290  1  0.542745  0.157707  0.718207  1
  Ni  Ni291  1  0.341000  0.885971  0.644670  1
  Ni  Ni292  1  0.991120  0.735752  0.631367  1
  Ni  Ni293  1  0.088936  0.370944  0.669631  1
  Ni  Ni294  1  0.189603  0.003356  0.705650  1
  Ni  Ni295  1  0.677744  0.497450  0.651359  1
  Ni  Ni296  1  0.772484  0.130604  0.686150  1
  Ni  Ni297  1  0.839426  0.780776  0.720400  1
  Ni  Ni298  1  0.756591  0.765736  0.663125  1
  Ni  Ni299  1  0.853935  0.396950  0.701470  1
  Ni  Ni300  1  0.661431  0.127069  0.626335  1
  Ni  Ni301  1  0.433287  0.596792  0.647534  1
  Ni  Ni302  1  0.524133  0.230788  0.683792  1
  Ni  Ni303  1  0.645552  0.871535  0.720816  1
  Ni  Ni304  1  0.010940  0.660959  0.667719  1
  Ni  Ni305  1  0.084022  0.292789  0.706259  1
  Ni  Ni306  1  0.911187  0.026871  0.629691  1
  Ni  Ni307  1  0.518473  0.685484  0.670111  1
  Ni  Ni308  1  0.624117  0.322684  0.706290  1
  Ni  Ni309  1  0.418906  0.049231  0.632530  1
  Ni  Ni310  1  0.541988  0.657201  0.717232  1
  Ni  Ni311  1  0.337141  0.376199  0.642197  1
  Ni  Ni312  1  0.434570  0.013271  0.680084  1
  Ni  Ni313  1  0.207955  0.514891  0.709994  1
  Ni  Ni314  1  0.995712  0.245328  0.634413  1
  Ni  Ni315  1  0.098732  0.883346  0.672030  1
  Ni  Ni316  1  0.994077  0.579959  0.694560  1
  Ni  Ni317  1  0.768716  0.312874  0.621945  1
  Ni  Ni318  1  0.872912  0.947718  0.658507  1
  Ni  Ni319  1  0.804499  0.604822  0.727459  1
  Ni  Ni320  1  0.557432  0.309045  0.656029  1
  Ni  Ni321  1  0.659695  0.949169  0.690593  1
  Ni  Ni322  1  0.034913  0.673514  0.716359  1
  Ni  Ni323  1  0.845903  0.404429  0.644096  1
  Ni  Ni324  1  0.942889  0.036811  0.680682  1
  Ni  Ni325  1  0.693776  0.489390  0.704448  1
  Ni  Ni326  1  0.488165  0.218734  0.632445  1
  Ni  Ni327  1  0.584923  0.855197  0.669370  1
  Ni  Ni328  1  0.787153  0.687318  0.694554  1
  Ni  Ni329  1  0.592790  0.408531  0.620275  1
  Ni  Ni330  1  0.690291  0.042280  0.657927  1
  Ni  Ni331  1  0.939705  0.499576  0.725747  1
  Ni  Ni332  1  0.741400  0.214296  0.655650  1
  Ni  Ni333  1  0.839652  0.855296  0.688032  1
  Ni  Ni334  1  0.295895  0.720386  0.705906  1
  Ni  Ni335  1  0.115579  0.449556  0.631877  1
  Ni  Ni336  1  0.206549  0.084533  0.670321  1
  Ni  Ni337  1  0.435136  0.439059  0.716364  1
  Ni  Ni338  1  0.222748  0.172176  0.644661  1
  Ni  Ni339  1  0.313155  0.808568  0.680683  1
  Ni  Ni340  1  0.185587  0.543846  0.658482  1
  Ni  Ni341  1  0.274556  0.177921  0.695108  1
  Ni  Ni342  1  0.077143  0.908878  0.620569  1
  Ni  Ni343  1  0.258551  0.713958  0.656091  1
  Ni  Ni344  1  0.354339  0.348238  0.692162  1
  Ni  Ni345  1  0.466720  0.982459  0.727107  1
  Ni  Ni346  1  0.918475  0.573309  0.644530  1
  Ni  Ni347  1  0.010643  0.204354  0.680765  1
  Ni  Ni348  1  0.097323  0.841296  0.716841  1
