# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84630012
_cell_length_b   26.76570618
_cell_length_c   45.18841991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.90323630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10617.6292119
_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  0.424255  0.289879  0.361873  1
  Zr  Zr2  1  0.255498  0.983620  0.330348  1
  Zr  Zr3  1  0.011596  0.680716  0.294117  1
  Zr  Zr4  1  0.542338  0.162165  0.312424  1
  Zr  Zr5  1  0.919603  0.769506  0.383369  1
  Zr  Zr6  1  0.688335  0.468037  0.345701  1
  Zr  Zr7  1  0.108801  0.245769  0.295869  1
  Zr  Zr8  1  0.454907  0.843737  0.360172  1
  Zr  Zr9  1  0.221469  0.537590  0.320770  1
  Zr  Zr10  1  0.875238  0.217832  0.380096  1
  Zr  Zr11  1  0.713934  0.910065  0.351712  1
  Zr  Zr12  1  0.464189  0.609817  0.311563  1
  Zr  Zr13  1  0.004589  0.344598  0.380280  1
  Zr  Zr14  1  0.841155  0.037818  0.351412  1
  Zr  Zr15  1  0.592912  0.735546  0.310216  1
  Zr  Zr16  1  0.933185  0.114030  0.298093  1
  Zr  Zr17  1  0.329918  0.717040  0.362044  1
  Zr  Zr18  1  0.107189  0.414349  0.323278  1
  Zr  Zr19  1  0.689934  0.315458  0.309002  1
  Zr  Zr20  1  0.155890  0.914235  0.389298  1
  Zr  Zr21  1  0.911193  0.611451  0.350005  1
  Zr  Zr22  1  0.268443  0.138229  0.364173  1
  Zr  Zr23  1  0.026640  0.839248  0.323806  1
  Zr  Zr24  1  0.777721  0.534090  0.285496  1
  Zr  Zr25  1  0.048966  0.201297  0.472091  1
  Zr  Zr26  1  0.885519  0.895455  0.440261  1
  Zr  Zr27  1  0.642641  0.593573  0.399906  1
  Zr  Zr28  1  0.160523  0.073089  0.421455  1
  Zr  Zr29  1  0.551961  0.681493  0.493047  1
  Zr  Zr30  1  0.317594  0.379143  0.453696  1
  Zr  Zr31  1  0.705054  0.146435  0.404841  1
  Zr  Zr32  1  0.088458  0.755775  0.471204  1
  Zr  Zr33  1  0.857394  0.453254  0.431889  1
  Zr  Zr34  1  0.502446  0.127998  0.490029  1
  Zr  Zr35  1  0.344784  0.820923  0.461856  1
  Zr  Zr36  1  0.108323  0.518844  0.422104  1
  Zr  Zr37  1  0.634117  0.256394  0.489739  1
  Zr  Zr38  1  0.470672  0.948899  0.459176  1
  Zr  Zr39  1  0.232180  0.646348  0.419615  1
  Zr  Zr40  1  0.570285  0.019843  0.404360  1
  Zr  Zr41  1  0.963409  0.628082  0.473113  1
  Zr  Zr42  1  0.733726  0.326364  0.434493  1
  Zr  Zr43  1  0.318206  0.224598  0.418978  1
  Zr  Zr44  1  0.783661  0.827527  0.499598  1
  Zr  Zr45  1  0.547937  0.525311  0.460033  1
  Zr  Zr46  1  0.891265  0.049874  0.474912  1
  Zr  Zr47  1  0.647897  0.749453  0.433365  1
  Zr  Zr48  1  0.416255  0.447466  0.394308  1
  Zr  Zr49  1  0.671924  0.113511  0.582755  1
  Zr  Zr50  1  0.515085  0.807308  0.550438  1
  Zr  Zr51  1  0.277946  0.505151  0.510495  1
  Zr  Zr52  1  0.783492  0.985238  0.532045  1
  Zr  Zr53  1  0.187600  0.592935  0.603758  1
  Zr  Zr54  1  0.947420  0.291007  0.563930  1
  Zr  Zr55  1  0.330175  0.058570  0.514122  1
  Zr  Zr56  1  0.722332  0.667610  0.581527  1
  Zr  Zr57  1  0.487400  0.365481  0.542195  1
  Zr  Zr58  1  0.127424  0.040027  0.599285  1
  Zr  Zr59  1  0.974343  0.733135  0.572046  1
  Zr  Zr60  1  0.742045  0.430839  0.532521  1
  Zr  Zr61  1  0.262538  0.166637  0.599815  1
  Zr  Zr62  1  0.098578  0.860037  0.569502  1
  Zr  Zr63  1  0.866922  0.558595  0.530564  1
  Zr  Zr64  1  0.198512  0.930105  0.514411  1
  Zr  Zr65  1  0.598045  0.540350  0.583878  1
  Zr  Zr66  1  0.361998  0.237577  0.544910  1
  Zr  Zr67  1  0.941293  0.136697  0.529286  1
  Zr  Zr68  1  0.415895  0.738777  0.609638  1
  Zr  Zr69  1  0.182491  0.437279  0.570330  1
  Zr  Zr70  1  0.514356  0.961929  0.585138  1
  Zr  Zr71  1  0.282444  0.661343  0.543637  1
  Zr  Zr72  1  0.048718  0.358950  0.504407  1
  Zr  Zr73  1  0.290277  0.024160  0.691689  1
  Zr  Zr74  1  0.143769  0.718201  0.658226  1
  Zr  Zr75  1  0.910346  0.417137  0.620219  1
  Zr  Zr76  1  0.408006  0.896475  0.642138  1
  Zr  Zr77  1  0.818725  0.505853  0.709349  1
  Zr  Zr78  1  0.577405  0.203041  0.674014  1
  Zr  Zr79  1  0.957268  0.968619  0.624005  1
  Zr  Zr80  1  0.366224  0.575892  0.692144  1
  Zr  Zr81  1  0.119826  0.276726  0.652385  1
  Zr  Zr82  1  0.723624  0.940568  0.708185  1
  Zr  Zr83  1  0.609890  0.648020  0.683156  1
  Zr  Zr84  1  0.377437  0.342966  0.643361  1
  Zr  Zr85  1  0.899189  0.072300  0.706032  1
  Zr  Zr86  1  0.724788  0.771859  0.680545  1
  Zr  Zr87  1  0.500385  0.469578  0.641825  1
  Zr  Zr88  1  0.827774  0.841782  0.623764  1
  Zr  Zr89  1  0.236882  0.450956  0.693495  1
  Zr  Zr90  1  0.991269  0.148498  0.652742  1
  Zr  Zr91  1  0.563990  0.048219  0.639984  1
  Zr  Zr92  1  0.054590  0.652442  0.718388  1
  Zr  Zr93  1  0.803787  0.346510  0.679271  1
  Zr  Zr94  1  0.142531  0.870790  0.695014  1
  Zr  Zr95  1  0.918913  0.574936  0.653666  1
  Zr  Zr96  1  0.677183  0.272574  0.615129  1
  Ni  Ni97  1  0.548851  0.378817  0.351482  1
  Ni  Ni98  1  0.393655  0.072942  0.319531  1
  Ni  Ni99  1  0.123973  0.768197  0.281094  1
  Ni  Ni100  1  0.381733  0.358660  0.310502  1
  Ni  Ni101  1  0.851887  0.963393  0.391806  1
  Ni  Ni102  1  0.606453  0.661804  0.350444  1
  Ni  Ni103  1  0.566148  0.093157  0.360500  1
  Ni  Ni104  1  0.313663  0.790181  0.319362  1
  Ni  Ni105  1  0.065365  0.488633  0.281469  1
  Ni  Ni106  1  0.450201  0.263295  0.302546  1
  Ni  Ni107  1  0.921143  0.864242  0.383444  1
  Ni  Ni108  1  0.678700  0.563639  0.340911  1
  Ni  Ni109  1  0.504884  0.188703  0.370807  1
  Ni  Ni110  1  0.266125  0.888614  0.323421  1
  Ni  Ni111  1  0.000263  0.584028  0.293881  1
  Ni  Ni112  1  0.179468  0.312667  0.332451  1
  Ni  Ni113  1  0.993424  0.014176  0.303033  1
  Ni  Ni114  1  0.393270  0.618046  0.369766  1
  Ni  Ni115  1  0.777950  0.141998  0.343866  1
  Ni  Ni116  1  0.542436  0.835590  0.304245  1
  Ni  Ni117  1  0.943852  0.442143  0.373445  1
  Ni  Ni118  1  0.969987  0.341991  0.297067  1
  Ni  Ni119  1  0.427329  0.945477  0.374175  1
  Ni  Ni120  1  0.184977  0.639950  0.334818  1
  Ni  Ni121  1  0.725683  0.312006  0.372937  1
  Ni  Ni122  1  0.564853  1.003679  0.342771  1
  Ni  Ni123  1  0.311818  0.700998  0.303090  1
  Ni  Ni124  1  0.221320  0.146577  0.300784  1
  Ni  Ni125  1  0.606035  0.752034  0.369331  1
  Ni  Ni126  1  0.378036  0.449364  0.330940  1
  Ni  Ni127  1  0.030709  0.179502  0.337029  1
  Ni  Ni128  1  0.775439  0.874536  0.296958  1
  Ni  Ni129  1  0.166487  0.482543  0.366575  1
  Ni  Ni130  1  0.930585  0.277938  0.336929  1
  Ni  Ni131  1  0.766948  0.969037  0.305854  1
  Ni  Ni132  1  0.167502  0.575428  0.375886  1
  Ni  Ni133  1  0.827052  0.211290  0.303158  1
  Ni  Ni134  1  0.185666  0.812249  0.371094  1
  Ni  Ni135  1  0.948285  0.508463  0.331177  1
  Ni  Ni136  1  0.141964  0.246494  0.372833  1
  Ni  Ni137  1  0.988737  0.941142  0.342454  1
  Ni  Ni138  1  0.744265  0.637012  0.302806  1
  Ni  Ni139  1  0.667306  0.235306  0.342752  1
  Ni  Ni140  1  0.512386  0.927374  0.311632  1
  Ni  Ni141  1  0.891995  0.530852  0.383963  1
  Ni  Ni142  1  0.296479  0.217681  0.333910  1
  Ni  Ni143  1  0.021444  0.922797  0.291772  1
  Ni  Ni144  1  0.434306  0.529859  0.359526  1
  Ni  Ni145  1  0.334050  0.042368  0.372414  1
  Ni  Ni146  1  0.080652  0.741884  0.333515  1
  Ni  Ni147  1  0.853186  0.435635  0.295675  1
  Ni  Ni148  1  0.601527  0.413065  0.299782  1
  Ni  Ni149  1  0.088883  0.012163  0.378549  1
  Ni  Ni150  1  0.837331  0.710871  0.339274  1
  Ni  Ni151  1  0.117468  0.076949  0.336294  1
  Ni  Ni152  1  0.852564  0.774428  0.296980  1
  Ni  Ni153  1  0.276187  0.382027  0.365613  1
  Ni  Ni154  1  0.827589  0.377076  0.338531  1
  Ni  Ni155  1  0.677205  0.066674  0.307148  1
  Ni  Ni156  1  0.056189  0.677895  0.376872  1
  Ni  Ni157  1  0.984323  0.112161  0.378777  1
  Ni  Ni158  1  0.750835  0.811351  0.341517  1
  Ni  Ni159  1  0.520012  0.509271  0.303634  1
  Ni  Ni160  1  0.181382  0.290037  0.462176  1
  Ni  Ni161  1  0.027525  0.984075  0.431810  1
  Ni  Ni162  1  0.779425  0.681258  0.391485  1
  Ni  Ni163  1  0.008986  0.270548  0.421614  1
  Ni  Ni164  1  0.479177  0.875351  0.501086  1
  Ni  Ni165  1  0.243355  0.573210  0.461617  1
  Ni  Ni166  1  0.197470  1.003631  0.473070  1
  Ni  Ni167  1  0.953152  0.701236  0.431605  1
  Ni  Ni168  1  0.721616  0.399841  0.392480  1
  Ni  Ni169  1  0.088071  0.174369  0.412648  1
  Ni  Ni170  1  0.551760  0.776310  0.493968  1
  Ni  Ni171  1  0.317670  0.474219  0.454186  1
  Ni  Ni172  1  0.121125  0.100525  0.481406  1
  Ni  Ni173  1  0.879545  0.800425  0.439177  1
  Ni  Ni174  1  0.643491  0.498648  0.401555  1
  Ni  Ni175  1  0.805306  0.223182  0.441517  1
  Ni  Ni176  1  0.635162  0.919629  0.410165  1
  Ni  Ni177  1  0.026053  0.529536  0.480424  1
  Ni  Ni178  1  0.401650  0.051649  0.453010  1
  Ni  Ni179  1  0.171717  0.744723  0.412746  1
  Ni  Ni180  1  0.567615  0.355654  0.483690  1
  Ni  Ni181  1  0.599450  0.252826  0.406472  1
  Ni  Ni182  1  0.057498  0.856298  0.484766  1
  Ni  Ni183  1  0.817450  0.553513  0.443410  1
  Ni  Ni184  1  0.358216  0.222353  0.484371  1
  Ni  Ni185  1  0.197919  0.913537  0.453332  1
  Ni  Ni186  1  0.957938  0.610928  0.412856  1
  Ni  Ni187  1  0.852467  0.052420  0.410770  1
  Ni  Ni188  1  0.238415  0.663284  0.480050  1
  Ni  Ni189  1  0.007781  0.360765  0.440838  1
  Ni  Ni190  1  0.651263  0.087007  0.447409  1
  Ni  Ni191  1  0.397903  0.786440  0.406379  1
  Ni  Ni192  1  0.797704  0.395280  0.477458  1
  Ni  Ni193  1  0.555583  0.188081  0.447367  1
  Ni  Ni194  1  0.405881  0.879257  0.416403  1
  Ni  Ni195  1  0.799847  0.489193  0.486897  1
  Ni  Ni196  1  0.438926  0.118647  0.412059  1
  Ni  Ni197  1  0.816834  0.724931  0.481032  1
  Ni  Ni198  1  0.584303  0.422850  0.441927  1
  Ni  Ni199  1  0.768527  0.156815  0.482015  1
  Ni  Ni200  1  0.617240  0.852369  0.452012  1
  Ni  Ni201  1  0.378936  0.550505  0.412279  1
  Ni  Ni202  1  0.293575  0.144529  0.453529  1
  Ni  Ni203  1  0.131515  0.833426  0.424058  1
  Ni  Ni204  1  0.529717  0.443952  0.494379  1
  Ni  Ni205  1  0.916228  0.130414  0.440992  1
  Ni  Ni206  1  0.668334  0.831032  0.399438  1
  Ni  Ni207  1  0.068216  0.440611  0.470352  1
  Ni  Ni208  1  0.962044  0.953346  0.484065  1
  Ni  Ni209  1  0.720855  0.651323  0.443645  1
  Ni  Ni210  1  0.489836  0.350218  0.404788  1
  Ni  Ni211  1  0.243052  0.320901  0.409752  1
  Ni  Ni212  1  0.713198  0.925065  0.488999  1
  Ni  Ni213  1  0.475002  0.623567  0.449355  1
  Ni  Ni214  1  0.748043  0.986749  0.446161  1
  Ni  Ni215  1  0.503082  0.685163  0.405218  1
  Ni  Ni216  1  0.908066  0.293328  0.476240  1
  Ni  Ni217  1  0.457185  0.288413  0.448018  1
  Ni  Ni218  1  0.297917  0.981439  0.417474  1
  Ni  Ni219  1  0.692744  0.589873  0.487766  1
  Ni  Ni220  1  0.608516  0.022502  0.488348  1
  Ni  Ni221  1  0.377257  0.721182  0.449436  1
  Ni  Ni222  1  0.147805  0.418282  0.409859  1
  Ni  Ni223  1  0.805199  0.202600  0.572474  1
  Ni  Ni224  1  0.651044  0.896439  0.541893  1
  Ni  Ni225  1  0.415022  0.593292  0.501813  1
  Ni  Ni226  1  0.635337  0.182879  0.531149  1
  Ni  Ni227  1  0.110515  0.786513  0.611477  1
  Ni  Ni228  1  0.877107  0.485356  0.572086  1
  Ni  Ni229  1  0.823480  0.915884  0.582480  1
  Ni  Ni230  1  0.586727  0.613453  0.541963  1
  Ni  Ni231  1  0.353230  0.311158  0.502947  1
  Ni  Ni232  1  0.711364  0.086035  0.522776  1
  Ni  Ni233  1  0.188036  0.687751  0.602387  1
  Ni  Ni234  1  0.951776  0.386192  0.564358  1
  Ni  Ni235  1  0.744420  0.012133  0.591493  1
  Ni  Ni236  1  0.513370  0.712389  0.549351  1
  Ni  Ni237  1  0.279997  0.410203  0.510194  1
  Ni  Ni238  1  0.430939  0.134862  0.551133  1
  Ni  Ni239  1  0.265414  0.830710  0.520458  1
  Ni  Ni240  1  0.657650  0.442184  0.590861  1
  Ni  Ni241  1  0.027114  0.963303  0.562588  1
  Ni  Ni242  1  0.803825  0.657173  0.523168  1
  Ni  Ni243  1  0.198176  0.266759  0.593989  1
  Ni  Ni244  1  0.223994  0.164042  0.515802  1
  Ni  Ni245  1  0.684791  0.768067  0.594295  1
  Ni  Ni246  1  0.452297  0.465449  0.553993  1
  Ni  Ni247  1  0.980117  0.134121  0.593410  1
  Ni  Ni248  1  0.824497  0.825655  0.563173  1
  Ni  Ni249  1  0.591877  0.523331  0.523590  1
  Ni  Ni250  1  0.474333  0.964187  0.519742  1
  Ni  Ni251  1  0.872540  0.575512  0.590867  1
  Ni  Ni252  1  0.634910  0.272975  0.550783  1
  Ni  Ni253  1  0.276994  0.998435  0.556758  1
  Ni  Ni254  1  0.030541  0.697442  0.516806  1
  Ni  Ni255  1  0.427073  0.306993  0.587630  1
  Ni  Ni256  1  0.181225  0.099513  0.556750  1
  Ni  Ni257  1  0.034656  0.791060  0.526513  1
  Ni  Ni258  1  0.432592  0.400367  0.597330  1
  Ni  Ni259  1  0.064034  0.029728  0.522163  1
  Ni  Ni260  1  0.451567  0.636015  0.591388  1
  Ni  Ni261  1  0.215246  0.334082  0.551998  1
  Ni  Ni262  1  0.393573  0.067852  0.592093  1
  Ni  Ni263  1  0.247785  0.763527  0.562037  1
  Ni  Ni264  1  0.013584  0.461701  0.522661  1
  Ni  Ni265  1  0.916152  0.056133  0.563170  1
  Ni  Ni266  1  0.763781  0.745904  0.533549  1
  Ni  Ni267  1  0.162761  0.355594  0.604291  1
  Ni  Ni268  1  0.538980  0.041999  0.550627  1
  Ni  Ni269  1  0.300931  0.742661  0.509316  1
  Ni  Ni270  1  0.700825  0.353157  0.580037  1
  Ni  Ni271  1  0.589340  0.865554  0.594310  1
  Ni  Ni272  1  0.355055  0.563051  0.554277  1
  Ni  Ni273  1  0.119298  0.261455  0.515101  1
  Ni  Ni274  1  0.870616  0.233148  0.520111  1
  Ni  Ni275  1  0.342390  0.836115  0.599213  1
  Ni  Ni276  1  0.109412  0.535276  0.560044  1
  Ni  Ni277  1  0.375450  0.898085  0.556088  1
  Ni  Ni278  1  0.137570  0.596707  0.515866  1
  Ni  Ni279  1  0.534808  0.205249  0.586683  1
  Ni  Ni280  1  0.084693  0.199791  0.558035  1
  Ni  Ni281  1  0.924093  0.893213  0.527855  1
  Ni  Ni282  1  0.327623  0.501295  0.598449  1
  Ni  Ni283  1  0.232941  0.933602  0.597588  1
  Ni  Ni284  1  0.012672  0.633061  0.560185  1
  Ni  Ni285  1  0.775714  0.330180  0.519500  1
  Ni  Ni286  1  0.438807  0.113687  0.684659  1
  Ni  Ni287  1  0.283493  0.807392  0.652492  1
  Ni  Ni288  1  0.050765  0.505190  0.612219  1
  Ni  Ni289  1  0.266449  0.093314  0.643676  1
  Ni  Ni290  1  0.766116  0.697617  0.722266  1
  Ni  Ni291  1  0.516432  0.396062  0.684230  1
  Ni  Ni292  1  0.450407  0.827450  0.693483  1
  Ni  Ni293  1  0.223383  0.524625  0.653175  1
  Ni  Ni294  1  0.981230  0.223140  0.612442  1
  Ni  Ni295  1  0.327543  0.997726  0.633300  1
  Ni  Ni296  1  0.832145  0.602287  0.710130  1
  Ni  Ni297  1  0.563349  0.297975  0.680666  1
  Ni  Ni298  1  0.382350  0.922922  0.701479  1
  Ni  Ni299  1  0.152175  0.622674  0.662833  1
  Ni  Ni300  1  0.911529  0.322310  0.620754  1
  Ni  Ni301  1  0.054657  0.044390  0.660265  1
  Ni  Ni302  1  0.888489  0.744137  0.630569  1
  Ni  Ni303  1  0.287032  0.350918  0.699216  1
  Ni  Ni304  1  0.652622  0.873652  0.671570  1
  Ni  Ni305  1  0.436910  0.568356  0.633829  1
  Ni  Ni306  1  0.839027  0.172217  0.701209  1
  Ni  Ni307  1  0.848144  0.074304  0.625379  1
  Ni  Ni308  1  0.312358  0.676616  0.700178  1
  Ni  Ni309  1  0.078142  0.375423  0.662202  1
  Ni  Ni310  1  0.610960  0.039813  0.703296  1
  Ni  Ni311  1  0.454350  0.736676  0.672988  1
  Ni  Ni312  1  0.224348  0.434443  0.634426  1
  Ni  Ni313  1  0.106730  0.874365  0.631090  1
  Ni  Ni314  1  0.520004  0.484707  0.700826  1
  Ni  Ni315  1  0.267282  0.182883  0.661384  1
  Ni  Ni316  1  0.901842  0.908406  0.667121  1
  Ni  Ni317  1  0.662806  0.610905  0.627765  1
  Ni  Ni318  1  0.064468  0.217503  0.698249  1
  Ni  Ni319  1  0.801775  0.006859  0.667071  1
  Ni  Ni320  1  0.665770  0.703407  0.637342  1
  Ni  Ni321  1  0.054206  0.311959  0.706806  1
  Ni  Ni322  1  0.690542  0.939882  0.631245  1
  Ni  Ni323  1  0.085991  0.549253  0.700890  1
  Ni  Ni324  1  0.844680  0.245224  0.661729  1
  Ni  Ni325  1  0.005443  0.975022  0.700927  1
  Ni  Ni326  1  0.883313  0.677669  0.672696  1
  Ni  Ni327  1  0.645600  0.374848  0.632646  1
  Ni  Ni328  1  0.535934  0.968651  0.670147  1
  Ni  Ni329  1  0.397211  0.656359  0.644312  1
  Ni  Ni330  1  0.808647  0.263959  0.712252  1
  Ni  Ni331  1  0.165174  0.951051  0.661334  1
  Ni  Ni332  1  0.938710  0.655593  0.619724  1
  Ni  Ni333  1  0.319158  0.258717  0.692998  1
  Ni  Ni334  1  0.230644  0.772957  0.704146  1
  Ni  Ni335  1  0.992601  0.475473  0.664452  1
  Ni  Ni336  1  0.743546  0.174526  0.625684  1
  Ni  Ni337  1  0.498549  0.144123  0.631812  1
  Ni  Ni338  1  0.978508  0.750681  0.708188  1
  Ni  Ni339  1  0.749975  0.443999  0.670178  1
  Ni  Ni340  1  0.004913  0.809250  0.665450  1
  Ni  Ni341  1  0.773664  0.508418  0.626889  1
  Ni  Ni342  1  0.155280  0.119748  0.697012  1
  Ni  Ni343  1  0.714871  0.109525  0.667861  1
  Ni  Ni344  1  0.555699  0.804308  0.638356  1
  Ni  Ni345  1  0.975488  0.411629  0.707013  1
  Ni  Ni346  1  0.862142  0.844272  0.706880  1
  Ni  Ni347  1  0.644801  0.546201  0.668865  1
  Ni  Ni348  1  0.406262  0.240901  0.630100  1
