# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.63233854
_cell_length_b   15.54383641
_cell_length_c   17.59041758
_cell_angle_alpha   93.70174697
_cell_angle_beta   111.73606814
_cell_angle_gamma   104.67480356
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr96Ni251
_chemical_formula_sum   'Zr96 Ni251'
_cell_volume   4748.09422333
_cell_formula_units_Z   1
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  0.269136  0.459599  0.114077  1
  Zr  Zr2  1  0.265379  0.446504  0.611259  1
  Zr  Zr3  1  0.269624  0.959636  0.113868  1
  Zr  Zr4  1  0.266683  0.949358  0.614546  1
  Zr  Zr5  1  0.602333  0.480592  0.118271  1
  Zr  Zr6  1  0.607563  0.479966  0.625316  1
  Zr  Zr7  1  0.602362  0.980136  0.118479  1
  Zr  Zr8  1  0.606539  0.979437  0.624959  1
  Zr  Zr9  1  0.939635  0.498411  0.134631  1
  Zr  Zr10  1  0.937666  0.509283  0.626532  1
  Zr  Zr11  1  0.939296  0.997972  0.134306  1
  Zr  Zr12  1  0.937382  0.009638  0.626228  1
  Zr  Zr13  1  0.067686  0.053306  0.385024  1
  Zr  Zr14  1  0.064202  0.042730  0.885033  1
  Zr  Zr15  1  0.066795  0.552988  0.384217  1
  Zr  Zr16  1  0.064296  0.542440  0.885032  1
  Zr  Zr17  1  0.395897  0.992742  0.372223  1
  Zr  Zr18  1  0.394211  0.003307  0.864190  1
  Zr  Zr19  1  0.395094  0.491253  0.372654  1
  Zr  Zr20  1  0.393795  0.503385  0.863699  1
  Zr  Zr21  1  0.726964  0.022132  0.373926  1
  Zr  Zr22  1  0.731350  0.021905  0.880208  1
  Zr  Zr23  1  0.726836  0.522246  0.373712  1
  Zr  Zr24  1  0.731531  0.521991  0.880257  1
  Zr  Zr25  1  0.288134  0.193479  0.281867  1
  Zr  Zr26  1  0.280461  0.211872  0.779546  1
  Zr  Zr27  1  0.287188  0.692754  0.283381  1
  Zr  Zr28  1  0.280775  0.712165  0.779289  1
  Zr  Zr29  1  0.611293  0.210962  0.290596  1
  Zr  Zr30  1  0.618595  0.223405  0.790030  1
  Zr  Zr31  1  0.610816  0.711265  0.290434  1
  Zr  Zr32  1  0.618540  0.723496  0.790178  1
  Zr  Zr33  1  0.950655  0.258098  0.299735  1
  Zr  Zr34  1  0.944966  0.228348  0.799941  1
  Zr  Zr35  1  0.949238  0.758426  0.297878  1
  Zr  Zr36  1  0.944594  0.728217  0.800480  1
  Zr  Zr37  1  0.053650  0.289883  0.220978  1
  Zr  Zr38  1  0.047082  0.308974  0.715417  1
  Zr  Zr39  1  0.053249  0.789629  0.219876  1
  Zr  Zr40  1  0.046333  0.808710  0.716166  1
  Zr  Zr41  1  0.390377  0.273640  0.197701  1
  Zr  Zr42  1  0.385377  0.243894  0.702461  1
  Zr  Zr43  1  0.388908  0.773597  0.198745  1
  Zr  Zr44  1  0.383747  0.742786  0.699457  1
  Zr  Zr45  1  0.715113  0.278696  0.208390  1
  Zr  Zr46  1  0.723138  0.290636  0.708514  1
  Zr  Zr47  1  0.714930  0.778689  0.208491  1
  Zr  Zr48  1  0.722843  0.790659  0.708488  1
  Zr  Zr49  1  0.099115  0.299292  0.026171  1
  Zr  Zr50  1  0.098188  0.315461  0.518957  1
  Zr  Zr51  1  0.098793  0.798780  0.026302  1
  Zr  Zr52  1  0.096133  0.814863  0.520732  1
  Zr  Zr53  1  0.427278  0.268430  0.009325  1
  Zr  Zr54  1  0.432583  0.255170  0.516286  1
  Zr  Zr55  1  0.427369  0.768175  0.009426  1
  Zr  Zr56  1  0.431760  0.754641  0.516251  1
  Zr  Zr57  1  0.765352  0.283091  0.023482  1
  Zr  Zr58  1  0.763714  0.286508  0.519314  1
  Zr  Zr59  1  0.765295  0.783181  0.023387  1
  Zr  Zr60  1  0.763499  0.786698  0.519385  1
  Zr  Zr61  1  0.236436  0.192941  0.477658  1
  Zr  Zr62  1  0.235065  0.203095  0.972564  1
  Zr  Zr63  1  0.237896  0.687281  0.478292  1
  Zr  Zr64  1  0.234911  0.702982  0.972707  1
  Zr  Zr65  1  0.570201  0.215301  0.479348  1
  Zr  Zr66  1  0.568414  0.218909  0.975264  1
  Zr  Zr67  1  0.569931  0.715141  0.479506  1
  Zr  Zr68  1  0.568208  0.718934  0.975066  1
  Zr  Zr69  1  0.902366  0.246925  0.482573  1
  Zr  Zr70  1  0.906347  0.233457  0.989342  1
  Zr  Zr71  1  0.901277  0.746822  0.482488  1
  Zr  Zr72  1  0.906567  0.733491  0.989554  1
  Zr  Zr73  1  0.125868  0.063145  0.161189  1
  Zr  Zr74  1  0.122456  0.083278  0.656805  1
  Zr  Zr75  1  0.126019  0.562309  0.161108  1
  Zr  Zr76  1  0.122606  0.583420  0.656572  1
  Zr  Zr77  1  0.454565  0.037046  0.139861  1
  Zr  Zr78  1  0.459163  0.016338  0.648011  1
  Zr  Zr79  1  0.454061  0.537337  0.140331  1
  Zr  Zr80  1  0.458755  0.515226  0.647792  1
  Zr  Zr81  1  0.790653  0.044944  0.155002  1
  Zr  Zr82  1  0.792331  0.056329  0.650076  1
  Zr  Zr83  1  0.790581  0.545165  0.154912  1
  Zr  Zr84  1  0.792498  0.556325  0.649987  1
  Zr  Zr85  1  0.210511  0.414217  0.347578  1
  Zr  Zr86  1  0.207862  0.439171  0.837939  1
  Zr  Zr87  1  0.211182  0.918341  0.342557  1
  Zr  Zr88  1  0.207979  0.938937  0.838246  1
  Zr  Zr89  1  0.541516  0.445887  0.348575  1
  Zr  Zr90  1  0.543550  0.457075  0.844302  1
  Zr  Zr91  1  0.541184  0.945288  0.348880  1
  Zr  Zr92  1  0.543050  0.957001  0.843892  1
  Zr  Zr93  1  0.873866  0.485852  0.350369  1
  Zr  Zr94  1  0.879687  0.464575  0.859097  1
  Zr  Zr95  1  0.874024  0.985316  0.350450  1
  Zr  Zr96  1  0.879290  0.964780  0.859059  1
  Ni  Ni97  1  0.002551  0.017130  0.011612  1
  Ni  Ni98  1  0.999970  0.034281  0.503710  1
  Ni  Ni99  1  0.002625  0.516390  0.011738  1
  Ni  Ni100  1  0.999733  0.534872  0.503731  1
  Ni  Ni101  1  0.331359  0.984942  0.987342  1
  Ni  Ni102  1  0.333317  0.969226  0.495408  1
  Ni  Ni103  1  0.331206  0.485367  0.987526  1
  Ni  Ni104  1  0.332957  0.463553  0.495671  1
  Ni  Ni105  1  0.666880  0.001047  0.999363  1
  Ni  Ni106  1  0.666684  1.000762  0.499486  1
  Ni  Ni107  1  0.666983  0.501291  0.999411  1
  Ni  Ni108  1  0.666859  0.501056  0.499353  1
  Ni  Ni109  1  0.021139  0.387070  0.088369  1
  Ni  Ni110  1  0.018272  0.403028  0.582882  1
  Ni  Ni111  1  0.020961  0.887720  0.088199  1
  Ni  Ni112  1  0.017786  0.903294  0.583018  1
  Ni  Ni113  1  0.350817  0.361092  0.067611  1
  Ni  Ni114  1  0.356978  0.341779  0.575025  1
  Ni  Ni115  1  0.350931  0.860542  0.067603  1
  Ni  Ni116  1  0.353499  0.844892  0.572322  1
  Ni  Ni117  1  0.686588  0.373399  0.078158  1
  Ni  Ni118  1  0.687667  0.375635  0.578757  1
  Ni  Ni119  1  0.686365  0.873120  0.078133  1
  Ni  Ni120  1  0.687188  0.875481  0.578789  1
  Ni  Ni121  1  0.315298  0.100490  0.415913  1
  Ni  Ni122  1  0.312866  0.114108  0.910771  1
  Ni  Ni123  1  0.315231  0.596210  0.416304  1
  Ni  Ni124  1  0.312775  0.614378  0.910565  1
  Ni  Ni125  1  0.646407  0.126037  0.420132  1
  Ni  Ni126  1  0.647214  0.128874  0.920543  1
  Ni  Ni127  1  0.646163  0.626345  0.420035  1
  Ni  Ni128  1  0.647137  0.629011  0.920419  1
  Ni  Ni129  1  0.981363  0.158374  0.426396  1
  Ni  Ni130  1  0.982927  0.141525  0.931230  1
  Ni  Ni131  1  0.979870  0.658343  0.426136  1
  Ni  Ni132  1  0.983084  0.641094  0.931450  1
  Ni  Ni133  1  0.063058  0.454495  0.244023  1
  Ni  Ni134  1  0.058594  0.473279  0.739856  1
  Ni  Ni135  1  0.063346  0.954680  0.244349  1
  Ni  Ni136  1  0.057846  0.973263  0.739928  1
  Ni  Ni137  1  0.398031  0.441622  0.229367  1
  Ni  Ni138  1  0.391276  0.410275  0.728298  1
  Ni  Ni139  1  0.398982  0.942416  0.229144  1
  Ni  Ni140  1  0.391586  0.909853  0.728254  1
  Ni  Ni141  1  0.722409  0.443651  0.234680  1
  Ni  Ni142  1  0.738838  0.460344  0.740798  1
  Ni  Ni143  1  0.722618  0.943713  0.234855  1
  Ni  Ni144  1  0.738111  0.960200  0.740574  1
  Ni  Ni145  1  0.275075  0.028460  0.259079  1
  Ni  Ni146  1  0.270514  0.047011  0.754673  1
  Ni  Ni147  1  0.274100  0.526903  0.260391  1
  Ni  Ni148  1  0.270067  0.546481  0.753798  1
  Ni  Ni149  1  0.595589  0.041337  0.258287  1
  Ni  Ni150  1  0.610614  0.058189  0.763768  1
  Ni  Ni151  1  0.595565  0.541889  0.258105  1
  Ni  Ni152  1  0.610674  0.558329  0.763757  1
  Ni  Ni153  1  0.942142  0.091346  0.270517  1
  Ni  Ni154  1  0.934591  0.059177  0.769693  1
  Ni  Ni155  1  0.941957  0.591823  0.270307  1
  Ni  Ni156  1  0.934783  0.559404  0.769690  1
  Ni  Ni157  1  0.246711  0.279547  0.115834  1
  Ni  Ni158  1  0.250441  0.274016  0.622816  1
  Ni  Ni159  1  0.245836  0.779754  0.115305  1
  Ni  Ni160  1  0.247762  0.775778  0.618642  1
  Ni  Ni161  1  0.578229  0.305564  0.120339  1
  Ni  Ni162  1  0.580436  0.300804  0.624695  1
  Ni  Ni163  1  0.577935  0.805193  0.120394  1
  Ni  Ni164  1  0.579743  0.800317  0.624670  1
  Ni  Ni165  1  0.914557  0.323282  0.135073  1
  Ni  Ni166  1  0.912327  0.333283  0.626999  1
  Ni  Ni167  1  0.914429  0.823413  0.135010  1
  Ni  Ni168  1  0.912018  0.833539  0.627163  1
  Ni  Ni169  1  0.088493  0.227488  0.380487  1
  Ni  Ni170  1  0.087993  0.222960  0.883331  1
  Ni  Ni171  1  0.085923  0.726537  0.380304  1
  Ni  Ni172  1  0.087896  0.722820  0.883355  1
  Ni  Ni173  1  0.421689  0.168703  0.371759  1
  Ni  Ni174  1  0.419413  0.178331  0.863914  1
  Ni  Ni175  1  0.421228  0.667463  0.372082  1
  Ni  Ni176  1  0.419102  0.678045  0.863245  1
  Ni  Ni177  1  0.754182  0.201133  0.374540  1
  Ni  Ni178  1  0.755671  0.196726  0.878359  1
  Ni  Ni179  1  0.753526  0.701198  0.374159  1
  Ni  Ni180  1  0.755666  0.696785  0.878333  1
  Ni  Ni181  1  0.244935  0.116298  0.118834  1
  Ni  Ni182  1  0.242302  0.108597  0.616435  1
  Ni  Ni183  1  0.244970  0.616844  0.118974  1
  Ni  Ni184  1  0.242354  0.607658  0.616835  1
  Ni  Ni185  1  0.577104  0.141346  0.124534  1
  Ni  Ni186  1  0.581281  0.138967  0.628904  1
  Ni  Ni187  1  0.576475  0.641373  0.124316  1
  Ni  Ni188  1  0.581289  0.638713  0.628990  1
  Ni  Ni189  1  0.912749  0.159740  0.135419  1
  Ni  Ni190  1  0.911860  0.170870  0.631235  1
  Ni  Ni191  1  0.912463  0.659762  0.134972  1
  Ni  Ni192  1  0.911380  0.670685  0.631436  1
  Ni  Ni193  1  0.019958  0.165071  0.088742  1
  Ni  Ni194  1  0.016405  0.181576  0.582667  1
  Ni  Ni195  1  0.020075  0.664220  0.088827  1
  Ni  Ni196  1  0.015533  0.680647  0.583295  1
  Ni  Ni197  1  0.347594  0.134193  0.067445  1
  Ni  Ni198  1  0.348756  0.117983  0.569643  1
  Ni  Ni199  1  0.347514  0.634622  0.067633  1
  Ni  Ni200  1  0.349054  0.612423  0.569248  1
  Ni  Ni201  1  0.682112  0.148911  0.076640  1
  Ni  Ni202  1  0.684133  0.151372  0.577572  1
  Ni  Ni203  1  0.681609  0.649073  0.076267  1
  Ni  Ni204  1  0.684134  0.651438  0.577649  1
  Ni  Ni205  1  0.320263  0.319400  0.414792  1
  Ni  Ni206  1  0.313785  0.337578  0.910292  1
  Ni  Ni207  1  0.318169  0.822825  0.415814  1
  Ni  Ni208  1  0.313866  0.837201  0.910401  1
  Ni  Ni209  1  0.649616  0.350567  0.421173  1
  Ni  Ni210  1  0.652294  0.353325  0.922554  1
  Ni  Ni211  1  0.649321  0.850321  0.421306  1
  Ni  Ni212  1  0.651788  0.853169  0.922235  1
  Ni  Ni213  1  0.983844  0.387165  0.429506  1
  Ni  Ni214  1  0.986415  0.367130  0.931373  1
  Ni  Ni215  1  0.984117  0.886755  0.428918  1
  Ni  Ni216  1  0.986322  0.867590  0.931483  1
  Ni  Ni217  1  0.183765  0.235876  0.323316  1
  Ni  Ni218  1  0.175354  0.261273  0.818055  1
  Ni  Ni219  1  0.183053  0.738536  0.327087  1
  Ni  Ni220  1  0.175499  0.761229  0.818233  1
  Ni  Ni221  1  0.510291  0.265679  0.323727  1
  Ni  Ni222  1  0.515786  0.282659  0.821488  1
  Ni  Ni223  1  0.509798  0.765582  0.324022  1
  Ni  Ni224  1  0.514809  0.782566  0.820411  1
  Ni  Ni225  1  0.846183  0.309530  0.327929  1
  Ni  Ni226  1  0.846290  0.287567  0.832593  1
  Ni  Ni227  1  0.845923  0.809493  0.327907  1
  Ni  Ni228  1  0.846131  0.787848  0.832809  1
  Ni  Ni229  1  0.158004  0.241306  0.179202  1
  Ni  Ni230  1  0.150950  0.263044  0.671405  1
  Ni  Ni231  1  0.158487  0.740599  0.180725  1
  Ni  Ni232  1  0.150770  0.762724  0.672059  1
  Ni  Ni233  1  0.488312  0.214017  0.166044  1
  Ni  Ni234  1  0.487426  0.192376  0.670533  1
  Ni  Ni235  1  0.487556  0.714264  0.166497  1
  Ni  Ni236  1  0.487257  0.691411  0.670794  1
  Ni  Ni237  1  0.819280  0.219621  0.178553  1
  Ni  Ni238  1  0.823747  0.235766  0.674852  1
  Ni  Ni239  1  0.818436  0.719462  0.177766  1
  Ni  Ni240  1  0.823717  0.736005  0.675119  1
  Ni  Ni241  1  0.180624  0.075276  0.325486  1
  Ni  Ni242  1  0.174702  0.096937  0.821267  1
  Ni  Ni243  1  0.180517  0.573204  0.324968  1
  Ni  Ni244  1  0.174891  0.597389  0.821377  1
  Ni  Ni245  1  0.504915  0.096856  0.321811  1
  Ni  Ni246  1  0.509065  0.114004  0.815778  1
  Ni  Ni247  1  0.504361  0.596741  0.321831  1
  Ni  Ni248  1  0.508695  0.613805  0.815329  1
  Ni  Ni249  1  0.840544  0.140380  0.321355  1
  Ni  Ni250  1  0.841937  0.117063  0.833142  1
  Ni  Ni251  1  0.839902  0.640493  0.321133  1
  Ni  Ni252  1  0.842040  0.616920  0.833520  1
  Ni  Ni253  1  0.158483  0.404577  0.180313  1
  Ni  Ni254  1  0.153499  0.426137  0.672557  1
  Ni  Ni255  1  0.158793  0.904545  0.177600  1
  Ni  Ni256  1  0.153134  0.926317  0.674158  1
  Ni  Ni257  1  0.492110  0.385490  0.164875  1
  Ni  Ni258  1  0.494844  0.361598  0.678666  1
  Ni  Ni259  1  0.491815  0.884814  0.165551  1
  Ni  Ni260  1  0.493448  0.861307  0.677570  1
  Ni  Ni261  1  0.824531  0.387995  0.182666  1
  Ni  Ni262  1  0.829091  0.404738  0.676953  1
  Ni  Ni263  1  0.824551  0.887875  0.182818  1
  Ni  Ni264  1  0.828832  0.904919  0.676923  1
  Ni  Ni265  1  0.059780  0.130151  0.244799  1
  Ni  Ni266  1  0.049791  0.143402  0.740264  1
  Ni  Ni267  1  0.060534  0.630224  0.245003  1
  Ni  Ni268  1  0.050084  0.643242  0.740301  1
  Ni  Ni269  1  0.385309  0.110469  0.222413  1
  Ni  Ni270  1  0.381047  0.085295  0.720881  1
  Ni  Ni271  1  0.384232  0.610036  0.222650  1
  Ni  Ni272  1  0.380121  0.583850  0.720176  1
  Ni  Ni273  1  0.710396  0.117060  0.229435  1
  Ni  Ni274  1  0.724331  0.129909  0.731821  1
  Ni  Ni275  1  0.710191  0.617152  0.229013  1
  Ni  Ni276  1  0.724750  0.630164  0.732054  1
  Ni  Ni277  1  0.282453  0.358321  0.258995  1
  Ni  Ni278  1  0.273382  0.371793  0.753878  1
  Ni  Ni279  1  0.283698  0.858685  0.258534  1
  Ni  Ni280  1  0.273556  0.871121  0.754222  1
  Ni  Ni281  1  0.608766  0.371427  0.266718  1
  Ni  Ni282  1  0.624358  0.385186  0.769981  1
  Ni  Ni283  1  0.609086  0.871764  0.266993  1
  Ni  Ni284  1  0.623368  0.885024  0.769528  1
  Ni  Ni285  1  0.952221  0.415861  0.277565  1
  Ni  Ni286  1  0.948627  0.391193  0.776314  1
  Ni  Ni287  1  0.952689  0.916961  0.277626  1
  Ni  Ni288  1  0.948185  0.891098  0.776533  1
  Ni  Ni289  1  0.212941  0.016177  0.470442  1
  Ni  Ni290  1  0.211144  0.029782  0.969558  1
  Ni  Ni291  1  0.212003  0.515974  0.470354  1
  Ni  Ni292  1  0.211197  0.529803  0.969551  1
  Ni  Ni293  1  0.547691  0.044144  0.482782  1
  Ni  Ni294  1  0.545878  0.047335  0.979344  1
  Ni  Ni295  1  0.547644  0.543982  0.482545  1
  Ni  Ni296  1  0.545564  0.547254  0.978828  1
  Ni  Ni297  1  0.879576  0.075457  0.487344  1
  Ni  Ni298  1  0.882876  0.062359  0.991634  1
  Ni  Ni299  1  0.879207  0.575138  0.487618  1
  Ni  Ni300  1  0.882944  0.562155  0.991471  1
  Ni  Ni301  1  0.122563  0.472169  0.029044  1
  Ni  Ni302  1  0.119827  0.488916  0.528554  1
  Ni  Ni303  1  0.122594  0.972243  0.029412  1
  Ni  Ni304  1  0.120741  0.987566  0.528690  1
  Ni  Ni305  1  0.450875  0.439932  0.007356  1
  Ni  Ni306  1  0.454983  0.426523  0.511384  1
  Ni  Ni307  1  0.450983  0.939481  0.007153  1
  Ni  Ni308  1  0.454000  0.927144  0.511001  1
  Ni  Ni309  1  0.788101  0.454915  0.019643  1
  Ni  Ni310  1  0.785833  0.457807  0.515903  1
  Ni  Ni311  1  0.787869  0.954763  0.019434  1
  Ni  Ni312  1  0.785760  0.957791  0.515977  1
  Ni  Ni313  1  0.211480  0.358564  0.966586  1
  Ni  Ni314  1  0.212601  0.841891  0.469751  1
  Ni  Ni315  1  0.211370  0.858346  0.966405  1
  Ni  Ni316  1  0.550357  0.371158  0.479518  1
  Ni  Ni317  1  0.547957  0.375230  0.974033  1
  Ni  Ni318  1  0.549681  0.870847  0.479653  1
  Ni  Ni319  1  0.547724  0.875211  0.973621  1
  Ni  Ni320  1  0.880601  0.403740  0.479886  1
  Ni  Ni321  1  0.883911  0.388249  0.988354  1
  Ni  Ni322  1  0.880555  0.903932  0.479730  1
  Ni  Ni323  1  0.883729  0.888363  0.988098  1
  Ni  Ni324  1  0.122494  0.143707  0.032580  1
  Ni  Ni325  1  0.121300  0.159247  0.530590  1
  Ni  Ni326  1  0.122396  0.643297  0.032930  1
  Ni  Ni327  1  0.121153  0.660699  0.529132  1
  Ni  Ni328  1  0.450150  0.113488  0.010703  1
  Ni  Ni329  1  0.452514  0.098322  0.518837  1
  Ni  Ni330  1  0.449802  0.613249  0.010358  1
  Ni  Ni331  1  0.452301  0.596920  0.518903  1
  Ni  Ni332  1  0.786087  0.126859  0.025236  1
  Ni  Ni333  1  0.783900  0.130730  0.519493  1
  Ni  Ni334  1  0.785967  0.626939  0.024956  1
  Ni  Ni335  1  0.783588  0.630919  0.519286  1
  Ni  Ni336  1  0.088558  0.395498  0.380720  1
  Ni  Ni337  1  0.088808  0.385665  0.879378  1
  Ni  Ni338  1  0.091463  0.893689  0.382200  1
  Ni  Ni339  1  0.088738  0.885845  0.879810  1
  Ni  Ni340  1  0.423170  0.331408  0.366882  1
  Ni  Ni341  1  0.421460  0.342401  0.864011  1
  Ni  Ni342  1  0.422039  0.830739  0.367528  1
  Ni  Ni343  1  0.421130  0.841735  0.863485  1
  Ni  Ni344  1  0.752149  0.362785  0.369527  1
  Ni  Ni345  1  0.757224  0.360650  0.874440  1
  Ni  Ni346  1  0.751916  0.862740  0.369628  1
  Ni  Ni347  1  0.756761  0.860721  0.874173  1
