# generated using pymatgen
data_Zr96Ni251
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.62979307
_cell_length_b   15.55431345
_cell_length_c   17.58185675
_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   4748.36651091
_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  0.269552  0.454471  0.115885  1
  Zr  Zr2  1  0.267042  0.449865  0.614934  1
  Zr  Zr3  1  0.269268  0.959900  0.114916  1
  Zr  Zr4  1  0.266732  0.949674  0.615426  1
  Zr  Zr5  1  0.602414  0.478404  0.119863  1
  Zr  Zr6  1  0.606818  0.479262  0.625495  1
  Zr  Zr7  1  0.601820  0.980691  0.118574  1
  Zr  Zr8  1  0.606997  0.980036  0.625254  1
  Zr  Zr9  1  0.940510  0.496012  0.135150  1
  Zr  Zr10  1  0.937651  0.508894  0.626296  1
  Zr  Zr11  1  0.939704  0.996567  0.134549  1
  Zr  Zr12  1  0.937415  0.008741  0.625984  1
  Zr  Zr13  1  0.066770  0.050970  0.384587  1
  Zr  Zr14  1  0.063596  0.039613  0.884723  1
  Zr  Zr15  1  0.067409  0.551294  0.384136  1
  Zr  Zr16  1  0.064049  0.540205  0.885126  1
  Zr  Zr17  1  0.397127  0.991172  0.374545  1
  Zr  Zr18  1  0.393441  0.004611  0.864946  1
  Zr  Zr19  1  0.397389  0.493643  0.373942  1
  Zr  Zr20  1  0.394232  0.504997  0.864272  1
  Zr  Zr21  1  0.727054  0.022596  0.373493  1
  Zr  Zr22  1  0.731362  0.021251  0.880331  1
  Zr  Zr23  1  0.727242  0.522055  0.374047  1
  Zr  Zr24  1  0.731614  0.520888  0.881048  1
  Zr  Zr25  1  0.289291  0.190448  0.289636  1
  Zr  Zr26  1  0.280262  0.213115  0.780432  1
  Zr  Zr27  1  0.287861  0.692945  0.283138  1
  Zr  Zr28  1  0.280397  0.713580  0.779878  1
  Zr  Zr29  1  0.608081  0.212227  0.289820  1
  Zr  Zr30  1  0.619419  0.223452  0.791039  1
  Zr  Zr31  1  0.611233  0.711358  0.290647  1
  Zr  Zr32  1  0.619086  0.722576  0.791037  1
  Zr  Zr33  1  0.951743  0.257893  0.296408  1
  Zr  Zr34  1  0.946370  0.226628  0.801157  1
  Zr  Zr35  1  0.949506  0.757332  0.298622  1
  Zr  Zr36  1  0.944771  0.726090  0.800204  1
  Zr  Zr37  1  0.058037  0.286879  0.217281  1
  Zr  Zr38  1  0.045821  0.309003  0.714348  1
  Zr  Zr39  1  0.053152  0.787840  0.219984  1
  Zr  Zr40  1  0.045891  0.808600  0.715138  1
  Zr  Zr41  1  0.371401  0.273500  0.190728  1
  Zr  Zr42  1  0.384174  0.243837  0.701349  1
  Zr  Zr43  1  0.389910  0.775309  0.199209  1
  Zr  Zr44  1  0.384406  0.743812  0.701626  1
  Zr  Zr45  1  0.715071  0.277125  0.209662  1
  Zr  Zr46  1  0.723368  0.290538  0.708381  1
  Zr  Zr47  1  0.714922  0.778014  0.208038  1
  Zr  Zr48  1  0.722970  0.790675  0.708363  1
  Zr  Zr49  1  0.098935  0.296604  0.023955  1
  Zr  Zr50  1  0.096790  0.314349  0.519564  1
  Zr  Zr51  1  0.098727  0.795890  0.026422  1
  Zr  Zr52  1  0.095692  0.814329  0.520165  1
  Zr  Zr53  1  0.426463  0.269465  0.009931  1
  Zr  Zr54  1  0.432239  0.254759  0.517640  1
  Zr  Zr55  1  0.426958  0.770512  0.009577  1
  Zr  Zr56  1  0.432719  0.755209  0.517337  1
  Zr  Zr57  1  0.765897  0.282222  0.023825  1
  Zr  Zr58  1  0.762783  0.286242  0.518655  1
  Zr  Zr59  1  0.765020  0.782231  0.023561  1
  Zr  Zr60  1  0.763303  0.786263  0.519219  1
  Zr  Zr61  1  0.237649  0.186779  0.478190  1
  Zr  Zr62  1  0.235111  0.208740  0.982321  1
  Zr  Zr63  1  0.237782  0.686311  0.479073  1
  Zr  Zr64  1  0.234973  0.704985  0.973151  1
  Zr  Zr65  1  0.569887  0.215727  0.479149  1
  Zr  Zr66  1  0.568430  0.218461  0.976098  1
  Zr  Zr67  1  0.570610  0.715766  0.480118  1
  Zr  Zr68  1  0.568735  0.718720  0.976118  1
  Zr  Zr69  1  0.901666  0.246220  0.482226  1
  Zr  Zr70  1  0.908246  0.231723  0.990420  1
  Zr  Zr71  1  0.901359  0.746073  0.482240  1
  Zr  Zr72  1  0.906600  0.731165  0.990010  1
  Zr  Zr73  1  0.126012  0.061595  0.161858  1
  Zr  Zr74  1  0.122674  0.083770  0.657337  1
  Zr  Zr75  1  0.126324  0.560513  0.160678  1
  Zr  Zr76  1  0.122521  0.583423  0.656335  1
  Zr  Zr77  1  0.453562  0.040101  0.141378  1
  Zr  Zr78  1  0.459470  0.016443  0.649968  1
  Zr  Zr79  1  0.454748  0.538641  0.139193  1
  Zr  Zr80  1  0.459634  0.516355  0.649245  1
  Zr  Zr81  1  0.790631  0.044077  0.154635  1
  Zr  Zr82  1  0.792687  0.056455  0.650208  1
  Zr  Zr83  1  0.791046  0.543920  0.155274  1
  Zr  Zr84  1  0.792234  0.555815  0.650249  1
  Zr  Zr85  1  0.212781  0.417968  0.342133  1
  Zr  Zr86  1  0.208185  0.441497  0.838295  1
  Zr  Zr87  1  0.211577  0.916672  0.343495  1
  Zr  Zr88  1  0.207380  0.942187  0.838795  1
  Zr  Zr89  1  0.541751  0.445390  0.349104  1
  Zr  Zr90  1  0.543115  0.456635  0.844868  1
  Zr  Zr91  1  0.541596  0.946186  0.348534  1
  Zr  Zr92  1  0.542971  0.956815  0.843780  1
  Zr  Zr93  1  0.874833  0.484334  0.350456  1
  Zr  Zr94  1  0.879312  0.462702  0.858914  1
  Zr  Zr95  1  0.874221  0.985341  0.350241  1
  Zr  Zr96  1  0.878733  0.962192  0.858697  1
  Ni  Ni97  1  0.001570  0.013194  0.011509  1
  Ni  Ni98  1  1.000062  0.034581  0.503492  1
  Ni  Ni99  1  0.002811  0.514429  0.011560  1
  Ni  Ni100  1  1.000228  0.533352  0.503015  1
  Ni  Ni101  1  0.330616  0.986412  0.987722  1
  Ni  Ni102  1  0.334028  0.966340  0.496874  1
  Ni  Ni103  1  0.331573  0.487777  0.987357  1
  Ni  Ni104  1  0.334231  0.467853  0.496195  1
  Ni  Ni105  1  0.666740  0.000983  0.999519  1
  Ni  Ni106  1  0.666997  0.001527  0.499353  1
  Ni  Ni107  1  0.666988  0.499563  0.000435  1
  Ni  Ni108  1  0.667011  0.500381  0.499736  1
  Ni  Ni109  1  0.022471  0.385329  0.087931  1
  Ni  Ni110  1  0.018140  0.403032  0.582234  1
  Ni  Ni111  1  0.021031  0.885498  0.088550  1
  Ni  Ni112  1  0.017524  0.903133  0.582586  1
  Ni  Ni113  1  0.352358  0.365056  0.066717  1
  Ni  Ni114  1  0.353835  0.343965  0.573359  1
  Ni  Ni115  1  0.350646  0.862477  0.068451  1
  Ni  Ni116  1  0.353935  0.843297  0.573882  1
  Ni  Ni117  1  0.686199  0.371665  0.079130  1
  Ni  Ni118  1  0.686477  0.375100  0.578250  1
  Ni  Ni119  1  0.686356  0.873340  0.078141  1
  Ni  Ni120  1  0.687436  0.876199  0.578785  1
  Ni  Ni121  1  0.316494  0.096088  0.418161  1
  Ni  Ni122  1  0.311159  0.117037  0.912228  1
  Ni  Ni123  1  0.316349  0.599000  0.416677  1
  Ni  Ni124  1  0.312802  0.616171  0.911203  1
  Ni  Ni125  1  0.646303  0.126561  0.419853  1
  Ni  Ni126  1  0.647599  0.128631  0.920915  1
  Ni  Ni127  1  0.646468  0.625711  0.420313  1
  Ni  Ni128  1  0.647430  0.627622  0.921334  1
  Ni  Ni129  1  0.980669  0.158290  0.425360  1
  Ni  Ni130  1  0.983126  0.138829  0.931445  1
  Ni  Ni131  1  0.979909  0.657016  0.426033  1
  Ni  Ni132  1  0.982941  0.638999  0.931487  1
  Ni  Ni133  1  0.064000  0.451708  0.244067  1
  Ni  Ni134  1  0.058735  0.473702  0.739916  1
  Ni  Ni135  1  0.063750  0.952990  0.244344  1
  Ni  Ni136  1  0.059607  0.974474  0.740409  1
  Ni  Ni137  1  0.404031  0.447702  0.232492  1
  Ni  Ni138  1  0.391617  0.410186  0.729214  1
  Ni  Ni139  1  0.398838  0.944411  0.230171  1
  Ni  Ni140  1  0.391193  0.910163  0.729304  1
  Ni  Ni141  1  0.724625  0.443224  0.235452  1
  Ni  Ni142  1  0.737982  0.459648  0.740860  1
  Ni  Ni143  1  0.722254  0.942794  0.234521  1
  Ni  Ni144  1  0.738229  0.960236  0.740459  1
  Ni  Ni145  1  0.276531  0.027368  0.260180  1
  Ni  Ni146  1  0.269536  0.048360  0.755660  1
  Ni  Ni147  1  0.276699  0.528639  0.259530  1
  Ni  Ni148  1  0.270134  0.548310  0.754939  1
  Ni  Ni149  1  0.596350  0.043521  0.258600  1
  Ni  Ni150  1  0.611291  0.058412  0.764397  1
  Ni  Ni151  1  0.594326  0.541253  0.258139  1
  Ni  Ni152  1  0.611242  0.557377  0.764685  1
  Ni  Ni153  1  0.941474  0.090236  0.269907  1
  Ni  Ni154  1  0.934395  0.057204  0.769679  1
  Ni  Ni155  1  0.942442  0.590849  0.270498  1
  Ni  Ni156  1  0.934875  0.557569  0.769789  1
  Ni  Ni157  1  0.247809  0.276165  0.619035  1
  Ni  Ni158  1  0.246168  0.778392  0.116411  1
  Ni  Ni159  1  0.247563  0.776288  0.619069  1
  Ni  Ni160  1  0.576847  0.303825  0.121236  1
  Ni  Ni161  1  0.580128  0.300305  0.625464  1
  Ni  Ni162  1  0.577967  0.805724  0.120580  1
  Ni  Ni163  1  0.580233  0.800949  0.624916  1
  Ni  Ni164  1  0.916303  0.321664  0.135553  1
  Ni  Ni165  1  0.911365  0.333096  0.625806  1
  Ni  Ni166  1  0.914216  0.821622  0.134985  1
  Ni  Ni167  1  0.911512  0.832567  0.626418  1
  Ni  Ni168  1  0.088420  0.224941  0.379831  1
  Ni  Ni169  1  0.089303  0.219681  0.884332  1
  Ni  Ni170  1  0.086189  0.724854  0.380480  1
  Ni  Ni171  1  0.087928  0.720182  0.883718  1
  Ni  Ni172  1  0.422635  0.168232  0.373972  1
  Ni  Ni173  1  0.418763  0.179061  0.865157  1
  Ni  Ni174  1  0.422092  0.669033  0.372266  1
  Ni  Ni175  1  0.419440  0.679700  0.864657  1
  Ni  Ni176  1  0.753220  0.200901  0.373498  1
  Ni  Ni177  1  0.756523  0.196079  0.879109  1
  Ni  Ni178  1  0.753830  0.701037  0.374314  1
  Ni  Ni179  1  0.755788  0.695578  0.879021  1
  Ni  Ni180  1  0.243287  0.116522  0.120921  1
  Ni  Ni181  1  0.242269  0.109156  0.617870  1
  Ni  Ni182  1  0.245721  0.614635  0.120344  1
  Ni  Ni183  1  0.242496  0.609124  0.617363  1
  Ni  Ni184  1  0.576112  0.141307  0.124981  1
  Ni  Ni185  1  0.582089  0.139137  0.629969  1
  Ni  Ni186  1  0.577225  0.640564  0.125131  1
  Ni  Ni187  1  0.582058  0.638965  0.630001  1
  Ni  Ni188  1  0.914082  0.158336  0.135167  1
  Ni  Ni189  1  0.911565  0.170439  0.631068  1
  Ni  Ni190  1  0.912847  0.657778  0.135352  1
  Ni  Ni191  1  0.911352  0.670041  0.631286  1
  Ni  Ni192  1  0.023995  0.163504  0.089882  1
  Ni  Ni193  1  0.015731  0.180203  0.582823  1
  Ni  Ni194  1  0.020245  0.662072  0.088769  1
  Ni  Ni195  1  0.015255  0.679487  0.582770  1
  Ni  Ni196  1  0.346216  0.133546  0.067705  1
  Ni  Ni197  1  0.349774  0.114567  0.571502  1
  Ni  Ni198  1  0.347766  0.636444  0.068203  1
  Ni  Ni199  1  0.350012  0.615205  0.570779  1
  Ni  Ni200  1  0.682058  0.148781  0.076840  1
  Ni  Ni201  1  0.684381  0.151762  0.577746  1
  Ni  Ni202  1  0.681948  0.647406  0.076878  1
  Ni  Ni203  1  0.684414  0.651011  0.578001  1
  Ni  Ni204  1  0.318576  0.321713  0.416253  1
  Ni  Ni205  1  0.313065  0.337848  0.910705  1
  Ni  Ni206  1  0.318761  0.820644  0.416804  1
  Ni  Ni207  1  0.313398  0.839294  0.910950  1
  Ni  Ni208  1  0.647457  0.349404  0.420045  1
  Ni  Ni209  1  0.652141  0.352209  0.923255  1
  Ni  Ni210  1  0.649573  0.850907  0.421233  1
  Ni  Ni211  1  0.651846  0.853011  0.922597  1
  Ni  Ni212  1  0.984366  0.385407  0.428116  1
  Ni  Ni213  1  0.986451  0.365734  0.931021  1
  Ni  Ni214  1  0.983899  0.886776  0.428816  1
  Ni  Ni215  1  0.985732  0.864289  0.931101  1
  Ni  Ni216  1  0.182583  0.238463  0.320216  1
  Ni  Ni217  1  0.174947  0.263952  0.818245  1
  Ni  Ni218  1  0.183506  0.737560  0.327615  1
  Ni  Ni219  1  0.174950  0.764166  0.818144  1
  Ni  Ni220  1  0.503510  0.266642  0.317779  1
  Ni  Ni221  1  0.514920  0.282142  0.822133  1
  Ni  Ni222  1  0.510265  0.766357  0.323971  1
  Ni  Ni223  1  0.515155  0.782453  0.821442  1
  Ni  Ni224  1  0.846843  0.308846  0.327496  1
  Ni  Ni225  1  0.846425  0.285817  0.832728  1
  Ni  Ni226  1  0.845898  0.808948  0.327663  1
  Ni  Ni227  1  0.845738  0.785541  0.832676  1
  Ni  Ni228  1  0.174772  0.244206  0.167582  1
  Ni  Ni229  1  0.150806  0.262756  0.671723  1
  Ni  Ni230  1  0.158493  0.738534  0.181284  1
  Ni  Ni231  1  0.150468  0.762486  0.671994  1
  Ni  Ni232  1  0.482980  0.216600  0.165904  1
  Ni  Ni233  1  0.488050  0.192288  0.672665  1
  Ni  Ni234  1  0.488054  0.715255  0.166421  1
  Ni  Ni235  1  0.488079  0.692813  0.671697  1
  Ni  Ni236  1  0.819335  0.218318  0.178125  1
  Ni  Ni237  1  0.824641  0.235987  0.675415  1
  Ni  Ni238  1  0.818827  0.718338  0.178220  1
  Ni  Ni239  1  0.823952  0.735589  0.675380  1
  Ni  Ni240  1  0.180462  0.073674  0.326641  1
  Ni  Ni241  1  0.174081  0.103435  0.826299  1
  Ni  Ni242  1  0.181000  0.574037  0.324849  1
  Ni  Ni243  1  0.174448  0.599803  0.822123  1
  Ni  Ni244  1  0.504562  0.097594  0.322907  1
  Ni  Ni245  1  0.509377  0.114370  0.816770  1
  Ni  Ni246  1  0.505722  0.598368  0.323231  1
  Ni  Ni247  1  0.509378  0.614048  0.816902  1
  Ni  Ni248  1  0.840858  0.140823  0.321025  1
  Ni  Ni249  1  0.842387  0.115562  0.833625  1
  Ni  Ni250  1  0.839901  0.639099  0.321154  1
  Ni  Ni251  1  0.842028  0.615206  0.833821  1
  Ni  Ni252  1  0.159906  0.404237  0.178201  1
  Ni  Ni253  1  0.153389  0.426028  0.673566  1
  Ni  Ni254  1  0.159180  0.902944  0.178161  1
  Ni  Ni255  1  0.152944  0.925731  0.673523  1
  Ni  Ni256  1  0.490050  0.383071  0.169745  1
  Ni  Ni257  1  0.493965  0.361692  0.678714  1
  Ni  Ni258  1  0.491660  0.886836  0.165568  1
  Ni  Ni259  1  0.493936  0.861883  0.678190  1
  Ni  Ni260  1  0.824940  0.386107  0.182732  1
  Ni  Ni261  1  0.828469  0.404519  0.676060  1
  Ni  Ni262  1  0.824457  0.887151  0.182728  1
  Ni  Ni263  1  0.828690  0.904504  0.676349  1
  Ni  Ni264  1  0.058852  0.126652  0.245641  1
  Ni  Ni265  1  0.048736  0.143758  0.739591  1
  Ni  Ni266  1  0.060808  0.628915  0.244847  1
  Ni  Ni267  1  0.049654  0.643385  0.739991  1
  Ni  Ni268  1  0.385837  0.115063  0.223994  1
  Ni  Ni269  1  0.380883  0.085906  0.723074  1
  Ni  Ni270  1  0.385845  0.611317  0.222667  1
  Ni  Ni271  1  0.381416  0.586070  0.722126  1
  Ni  Ni272  1  0.711314  0.116008  0.229042  1
  Ni  Ni273  1  0.725175  0.130146  0.732401  1
  Ni  Ni274  1  0.710084  0.616514  0.229538  1
  Ni  Ni275  1  0.725051  0.630054  0.732550  1
  Ni  Ni276  1  0.288118  0.359788  0.260900  1
  Ni  Ni277  1  0.273493  0.371889  0.754804  1
  Ni  Ni278  1  0.284279  0.857904  0.259308  1
  Ni  Ni279  1  0.272805  0.872351  0.755069  1
  Ni  Ni280  1  0.611895  0.374174  0.267247  1
  Ni  Ni281  1  0.623554  0.384550  0.770594  1
  Ni  Ni282  1  0.608570  0.871718  0.266707  1
  Ni  Ni283  1  0.623644  0.884259  0.769863  1
  Ni  Ni284  1  0.953084  0.415319  0.277204  1
  Ni  Ni285  1  0.947608  0.388944  0.775455  1
  Ni  Ni286  1  0.952436  0.915326  0.277099  1
  Ni  Ni287  1  0.947889  0.888979  0.775748  1
  Ni  Ni288  1  0.213135  0.013018  0.471527  1
  Ni  Ni289  1  0.210243  0.032043  0.970706  1
  Ni  Ni290  1  0.213332  0.513214  0.470370  1
  Ni  Ni291  1  0.211650  0.531736  0.971016  1
  Ni  Ni292  1  0.547985  0.044837  0.482749  1
  Ni  Ni293  1  0.545608  0.047179  0.978790  1
  Ni  Ni294  1  0.548320  0.544324  0.483451  1
  Ni  Ni295  1  0.546083  0.547009  0.980328  1
  Ni  Ni296  1  0.879353  0.074826  0.487269  1
  Ni  Ni297  1  0.883491  0.060809  0.991907  1
  Ni  Ni298  1  0.879269  0.574147  0.487323  1
  Ni  Ni299  1  0.882998  0.559900  0.991954  1
  Ni  Ni300  1  0.123358  0.469409  0.029146  1
  Ni  Ni301  1  0.121008  0.487626  0.528272  1
  Ni  Ni302  1  0.122126  0.968538  0.029490  1
  Ni  Ni303  1  0.120604  0.987770  0.529105  1
  Ni  Ni304  1  0.450948  0.440837  0.007022  1
  Ni  Ni305  1  0.454554  0.426769  0.512081  1
  Ni  Ni306  1  0.450668  0.941814  0.008583  1
  Ni  Ni307  1  0.455245  0.926527  0.513369  1
  Ni  Ni308  1  0.788250  0.453406  0.020457  1
  Ni  Ni309  1  0.785590  0.456902  0.516125  1
  Ni  Ni310  1  0.787955  0.953947  0.019401  1
  Ni  Ni311  1  0.785679  0.957712  0.515818  1
  Ni  Ni312  1  0.213337  0.340935  0.469077  1
  Ni  Ni313  1  0.210901  0.362673  0.963107  1
  Ni  Ni314  1  0.212891  0.840241  0.470845  1
  Ni  Ni315  1  0.210918  0.859775  0.966819  1
  Ni  Ni316  1  0.548846  0.371054  0.479104  1
  Ni  Ni317  1  0.547796  0.374409  0.974378  1
  Ni  Ni318  1  0.550124  0.871726  0.479428  1
  Ni  Ni319  1  0.547539  0.875296  0.974042  1
  Ni  Ni320  1  0.880570  0.403066  0.479466  1
  Ni  Ni321  1  0.884249  0.386066  0.988401  1
  Ni  Ni322  1  0.880380  0.903401  0.479373  1
  Ni  Ni323  1  0.883384  0.885843  0.988227  1
  Ni  Ni324  1  0.118917  0.136173  0.028283  1
  Ni  Ni325  1  0.121197  0.160101  0.528787  1
  Ni  Ni326  1  0.122965  0.641190  0.032856  1
  Ni  Ni327  1  0.120957  0.660310  0.528960  1
  Ni  Ni328  1  0.449360  0.114836  0.011204  1
  Ni  Ni329  1  0.453701  0.097675  0.520848  1
  Ni  Ni330  1  0.450252  0.615770  0.010858  1
  Ni  Ni331  1  0.453647  0.598423  0.520123  1
  Ni  Ni332  1  0.786667  0.126199  0.025383  1
  Ni  Ni333  1  0.783780  0.130940  0.519242  1
  Ni  Ni334  1  0.786079  0.625812  0.025586  1
  Ni  Ni335  1  0.783893  0.630498  0.519566  1
  Ni  Ni336  1  0.092194  0.391999  0.381348  1
  Ni  Ni337  1  0.088063  0.383368  0.878334  1
  Ni  Ni338  1  0.091524  0.892277  0.382201  1
  Ni  Ni339  1  0.088327  0.883229  0.879529  1
  Ni  Ni340  1  0.421313  0.331477  0.366539  1
  Ni  Ni341  1  0.420900  0.342827  0.864475  1
  Ni  Ni342  1  0.422721  0.830952  0.368258  1
  Ni  Ni343  1  0.421057  0.843531  0.864532  1
  Ni  Ni344  1  0.751564  0.362215  0.369613  1
  Ni  Ni345  1  0.757130  0.360030  0.874707  1
  Ni  Ni346  1  0.751929  0.862900  0.369289  1
  Ni  Ni347  1  0.756693  0.859769  0.874399  1
