# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.06802780
_cell_length_b   12.80102491
_cell_length_c   51.56874608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.57591577
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10067.8633121
_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  0.779735  0.503909  0.291091  1
  Zr  Zr2  1  0.345789  0.659059  0.323278  1
  Zr  Zr3  1  0.341132  0.019696  0.296528  1
  Zr  Zr4  1  0.878281  0.200169  0.332086  1
  Zr  Zr5  1  0.537326  0.109477  0.281162  1
  Zr  Zr6  1  0.062227  0.287006  0.314703  1
  Zr  Zr7  1  0.622778  0.393814  0.297616  1
  Zr  Zr8  1  0.162400  0.568981  0.335796  1
  Zr  Zr9  1  0.628329  0.810312  0.308831  1
  Zr  Zr10  1  0.099992  0.632555  0.272888  1
  Zr  Zr11  1  0.606363  0.038276  0.346020  1
  Zr  Zr12  1  0.070709  0.865336  0.308014  1
  Zr  Zr13  1  0.375350  0.419433  0.285138  1
  Zr  Zr14  1  0.920490  0.597009  0.324060  1
  Zr  Zr15  1  0.781077  0.080283  0.293765  1
  Zr  Zr16  1  0.317580  0.254771  0.333458  1
  Zr  Zr17  1  0.888579  0.833427  0.360997  1
  Zr  Zr18  1  0.424638  0.002954  0.399809  1
  Zr  Zr19  1  0.416158  0.367068  0.371488  1
  Zr  Zr20  1  0.954873  0.539606  0.409514  1
  Zr  Zr21  1  0.604152  0.458401  0.356264  1
  Zr  Zr22  1  0.141624  0.632694  0.396091  1
  Zr  Zr23  1  0.699250  0.742212  0.375289  1
  Zr  Zr24  1  0.235938  0.912456  0.413799  1
  Zr  Zr25  1  0.700445  0.156564  0.385821  1
  Zr  Zr26  1  0.162528  0.985552  0.347302  1
  Zr  Zr27  1  0.677920  0.387127  0.422928  1
  Zr  Zr28  1  0.140138  0.216129  0.384641  1
  Zr  Zr29  1  0.452818  0.768118  0.361353  1
  Zr  Zr30  1  0.987950  0.944009  0.399471  1
  Zr  Zr31  1  0.851148  0.430724  0.371359  1
  Zr  Zr32  1  0.389914  0.601472  0.409613  1
  Zr  Zr33  1  0.961038  0.176491  0.437891  1
  Zr  Zr34  1  0.498301  0.347673  0.476807  1
  Zr  Zr35  1  0.490558  0.712286  0.448435  1
  Zr  Zr36  1  0.026436  0.885054  0.487024  1
  Zr  Zr37  1  0.678630  0.803728  0.434490  1
  Zr  Zr38  1  0.214796  0.976433  0.472783  1
  Zr  Zr39  1  0.773278  0.084115  0.452272  1
  Zr  Zr40  1  0.310017  0.256295  0.491156  1
  Zr  Zr41  1  0.774000  0.500580  0.463360  1
  Zr  Zr42  1  0.236940  0.328929  0.424896  1
  Zr  Zr43  1  0.751460  0.731161  0.500496  1
  Zr  Zr44  1  0.214567  0.559472  0.461915  1
  Zr  Zr45  1  0.525297  0.114274  0.438449  1
  Zr  Zr46  1  0.061575  0.286441  0.477162  1
  Zr  Zr47  1  0.926675  0.773231  0.448484  1
  Zr  Zr48  1  0.463201  0.945682  0.487016  1
  Zr  Zr49  1  0.035003  0.519531  0.515499  1
  Zr  Zr50  1  0.570892  0.692245  0.554032  1
  Zr  Zr51  1  0.563345  0.056612  0.525807  1
  Zr  Zr52  1  0.100532  0.228158  0.564579  1
  Zr  Zr53  1  0.751502  0.148128  0.511413  1
  Zr  Zr54  1  0.288408  0.320461  0.550227  1
  Zr  Zr55  1  0.846703  0.428158  0.529751  1
  Zr  Zr56  1  0.382921  0.600637  0.568039  1
  Zr  Zr57  1  0.846929  0.845091  0.540659  1
  Zr  Zr58  1  0.310056  0.673400  0.502025  1
  Zr  Zr59  1  0.824464  0.075629  0.577673  1
  Zr  Zr60  1  0.287506  0.904060  0.539133  1
  Zr  Zr61  1  0.598328  0.458866  0.515437  1
  Zr  Zr62  1  0.134828  0.631351  0.554061  1
  Zr  Zr63  1  0.999897  0.118119  0.525352  1
  Zr  Zr64  1  0.536416  0.289877  0.564202  1
  Zr  Zr65  1  0.106609  0.865193  0.592964  1
  Zr  Zr66  1  0.645396  0.037070  0.631385  1
  Zr  Zr67  1  0.636946  0.401393  0.602658  1
  Zr  Zr68  1  0.173313  0.571914  0.641396  1
  Zr  Zr69  1  0.825600  0.492029  0.588765  1
  Zr  Zr70  1  0.362688  0.662907  0.627236  1
  Zr  Zr71  1  0.919741  0.771752  0.606494  1
  Zr  Zr72  1  0.457440  0.945919  0.645985  1
  Zr  Zr73  1  0.921187  0.188695  0.617876  1
  Zr  Zr74  1  0.383707  0.017473  0.579598  1
  Zr  Zr75  1  0.898553  0.418756  0.655258  1
  Zr  Zr76  1  0.361570  0.247911  0.616813  1
  Zr  Zr77  1  0.671834  0.802772  0.593073  1
  Zr  Zr78  1  0.210110  0.974502  0.631079  1
  Zr  Zr79  1  0.073830  0.460572  0.602996  1
  Zr  Zr80  1  0.608704  0.635983  0.640731  1
  Zr  Zr81  1  0.182546  0.205314  0.670348  1
  Zr  Zr82  1  0.719736  0.382663  0.706225  1
  Zr  Zr83  1  0.716555  0.743642  0.679990  1
  Zr  Zr84  1  0.282487  0.901247  0.711323  1
  Zr  Zr85  1  0.899645  0.836382  0.666484  1
  Zr  Zr86  1  0.436320  0.014893  0.704016  1
  Zr  Zr87  1  0.998877  0.118726  0.687857  1
  Zr  Zr88  1  0.524226  0.296996  0.721657  1
  Zr  Zr89  1  0.992847  0.538243  0.694195  1
  Zr  Zr90  1  0.455727  0.366214  0.656574  1
  Zr  Zr91  1  0.962992  0.772306  0.729763  1
  Zr  Zr92  1  0.433335  0.595366  0.693582  1
  Zr  Zr93  1  0.743492  0.149901  0.669004  1
  Zr  Zr94  1  0.279483  0.326328  0.708723  1
  Zr  Zr95  1  0.141120  0.808468  0.678380  1
  Zr  Zr96  1  0.688918  0.973333  0.718986  1
  Ni  Ni97  1  0.383448  0.012907  0.346600  1
  Ni  Ni98  1  0.849990  0.842941  0.306745  1
  Ni  Ni99  1  0.758211  0.813629  0.336579  1
  Ni  Ni100  1  0.225978  0.642106  0.296868  1
  Ni  Ni101  1  0.478237  0.037716  0.317594  1
  Ni  Ni102  1  0.947460  0.867288  0.277822  1
  Ni  Ni103  1  0.787118  0.290548  0.291573  1
  Ni  Ni104  1  0.326687  0.468004  0.330814  1
  Ni  Ni105  1  0.369145  0.205926  0.285806  1
  Ni  Ni106  1  0.899242  0.396597  0.325131  1
  Ni  Ni107  1  0.616694  0.605053  0.301172  1
  Ni  Ni108  1  0.190327  0.757163  0.341091  1
  Ni  Ni109  1  0.489008  0.941324  0.275849  1
  Ni  Ni110  1  0.040976  0.092873  0.311874  1
  Ni  Ni111  1  0.496749  0.616849  0.321444  1
  Ni  Ni112  1  0.933100  0.475071  0.283062  1
  Ni  Ni113  1  0.453419  0.551946  0.280538  1
  Ni  Ni114  1  1.004706  0.719243  0.316627  1
  Ni  Ni115  1  0.692681  0.955770  0.298959  1
  Ni  Ni116  1  0.223447  0.137323  0.338208  1
  Ni  Ni117  1  0.620980  0.185996  0.310407  1
  Ni  Ni118  1  0.145908  0.372075  0.343788  1
  Ni  Ni119  1  0.534805  0.316226  0.274590  1
  Ni  Ni120  1  0.075244  0.487247  0.302702  1
  Ni  Ni121  1  0.465370  0.246031  0.322297  1
  Ni  Ni122  1  0.929489  0.075146  0.286507  1
  Ni  Ni123  1  0.766610  0.610214  0.332833  1
  Ni  Ni124  1  0.234395  0.428683  0.295790  1
  Ni  Ni125  1  0.484585  0.422901  0.321029  1
  Ni  Ni126  1  0.931675  0.273796  0.285886  1
  Ni  Ni127  1  0.736595  0.433513  0.332517  1
  Ni  Ni128  1  0.208145  0.256638  0.297997  1
  Ni  Ni129  1  0.390071  0.781976  0.289990  1
  Ni  Ni130  1  0.915347  0.961159  0.325255  1
  Ni  Ni131  1  0.793204  0.706653  0.291058  1
  Ni  Ni132  1  0.318147  0.891779  0.329716  1
  Ni  Ni133  1  0.755489  0.021350  0.338256  1
  Ni  Ni134  1  0.225156  0.851085  0.300213  1
  Ni  Ni135  1  0.482286  0.827128  0.316321  1
  Ni  Ni136  1  0.944521  0.665762  0.277106  1
  Ni  Ni137  1  0.722408  0.234122  0.335076  1
  Ni  Ni138  1  0.187576  0.062203  0.298740  1
  Ni  Ni139  1  0.457528  0.357860  0.424052  1
  Ni  Ni140  1  0.920883  0.186688  0.384909  1
  Ni  Ni141  1  0.827507  0.159783  0.414174  1
  Ni  Ni142  1  0.290380  0.987584  0.376262  1
  Ni  Ni143  1  0.550381  0.384675  0.394782  1
  Ni  Ni144  1  0.013735  0.213640  0.354730  1
  Ni  Ni145  1  0.863273  0.642347  0.369759  1
  Ni  Ni146  1  0.400154  0.813779  0.408160  1
  Ni  Ni147  1  0.440273  0.555871  0.362826  1
  Ni  Ni148  1  0.977352  0.731981  0.401861  1
  Ni  Ni149  1  0.729655  0.927585  0.379828  1
  Ni  Ni150  1  0.264119  0.101084  0.418813  1
  Ni  Ni151  1  0.574943  0.270750  0.352544  1
  Ni  Ni152  1  0.115485  0.439140  0.390078  1
  Ni  Ni153  1  0.582599  0.964148  0.396066  1
  Ni  Ni154  1  0.045526  0.793347  0.357224  1
  Ni  Ni155  1  0.540283  0.891615  0.355963  1
  Ni  Ni156  1  0.076944  0.066481  0.393931  1
  Ni  Ni157  1  0.763313  0.307701  0.375674  1
  Ni  Ni158  1  0.300725  0.478290  0.415031  1
  Ni  Ni159  1  0.688231  0.539949  0.384705  1
  Ni  Ni160  1  0.227312  0.709344  0.424352  1
  Ni  Ni161  1  0.615670  0.660307  0.345143  1
  Ni  Ni162  1  0.150612  0.835117  0.385209  1
  Ni  Ni163  1  0.538770  0.592900  0.400663  1
  Ni  Ni164  1  1.001707  0.419594  0.361446  1
  Ni  Ni165  1  0.839773  0.950975  0.408802  1
  Ni  Ni166  1  0.302426  0.778256  0.370111  1
  Ni  Ni167  1  0.560627  0.771671  0.398745  1
  Ni  Ni168  1  0.024084  0.601486  0.360838  1
  Ni  Ni169  1  0.817703  0.773041  0.411448  1
  Ni  Ni170  1  0.279724  0.600836  0.372703  1
  Ni  Ni171  1  0.453084  0.131101  0.365031  1
  Ni  Ni172  1  0.987708  0.306088  0.402859  1
  Ni  Ni173  1  0.852789  0.067632  0.366814  1
  Ni  Ni174  1  0.390050  0.237829  0.406075  1
  Ni  Ni175  1  0.825799  0.368409  0.416005  1
  Ni  Ni176  1  0.289222  0.196020  0.377934  1
  Ni  Ni177  1  0.552077  0.175048  0.393438  1
  Ni  Ni178  1  0.014137  0.005079  0.353715  1
  Ni  Ni179  1  0.795940  0.579522  0.413493  1
  Ni  Ni180  1  0.257847  0.408213  0.374806  1
  Ni  Ni181  1  0.530753  0.702275  0.501258  1
  Ni  Ni182  1  0.994404  0.529617  0.462560  1
  Ni  Ni183  1  0.901362  0.502725  0.491807  1
  Ni  Ni184  1  0.364550  0.330989  0.453278  1
  Ni  Ni185  1  0.623927  0.728795  0.472049  1
  Ni  Ni186  1  0.087380  0.556425  0.433299  1
  Ni  Ni187  1  0.936943  0.986570  0.446409  1
  Ni  Ni188  1  0.473961  0.158389  0.485342  1
  Ni  Ni189  1  0.514460  0.902415  0.440251  1
  Ni  Ni190  1  0.050760  0.073857  0.478376  1
  Ni  Ni191  1  0.801778  0.272429  0.457051  1
  Ni  Ni192  1  0.338798  0.444406  0.495884  1
  Ni  Ni193  1  0.651032  0.613756  0.429238  1
  Ni  Ni194  1  0.185913  0.788947  0.468007  1
  Ni  Ni195  1  0.656167  0.308958  0.472961  1
  Ni  Ni196  1  0.118286  0.137485  0.434389  1
  Ni  Ni197  1  0.614416  0.237285  0.432925  1
  Ni  Ni198  1  0.150839  0.409450  0.471733  1
  Ni  Ni199  1  0.837974  0.650102  0.453570  1
  Ni  Ni200  1  0.373985  0.822997  0.492226  1
  Ni  Ni201  1  0.763559  0.881614  0.462815  1
  Ni  Ni202  1  0.300200  0.053788  0.501539  1
  Ni  Ni203  1  0.687905  0.006564  0.423618  1
  Ni  Ni204  1  0.224248  0.179074  0.462560  1
  Ni  Ni205  1  0.611732  0.937925  0.477996  1
  Ni  Ni206  1  0.074794  0.766237  0.439252  1
  Ni  Ni207  1  0.913038  0.294247  0.485926  1
  Ni  Ni208  1  0.376268  0.122448  0.447494  1
  Ni  Ni209  1  0.634220  0.115560  0.475394  1
  Ni  Ni210  1  0.096987  0.943614  0.436468  1
  Ni  Ni211  1  0.890551  0.116785  0.488357  1
  Ni  Ni212  1  0.354157  0.944860  0.449868  1
  Ni  Ni213  1  0.525213  0.477243  0.442065  1
  Ni  Ni214  1  0.061872  0.649133  0.480770  1
  Ni  Ni215  1  0.926895  0.410354  0.444369  1
  Ni  Ni216  1  0.463061  0.583118  0.483130  1
  Ni  Ni217  1  0.900044  0.711566  0.493442  1
  Ni  Ni218  1  0.363318  0.540000  0.454766  1
  Ni  Ni219  1  0.625273  0.520024  0.470405  1
  Ni  Ni220  1  0.088483  0.347710  0.431853  1
  Ni  Ni221  1  0.868597  0.923296  0.490806  1
  Ni  Ni222  1  0.332498  0.751346  0.452101  1
  Ni  Ni223  1  0.604088  0.046423  0.578612  1
  Ni  Ni224  1  0.067068  0.874939  0.539973  1
  Ni  Ni225  1  0.974063  0.848149  0.569257  1
  Ni  Ni226  1  0.437534  0.675804  0.530472  1
  Ni  Ni227  1  0.696981  0.073327  0.549350  1
  Ni  Ni228  1  0.160088  0.901873  0.510710  1
  Ni  Ni229  1  0.010676  0.330678  0.524118  1
  Ni  Ni230  1  0.547118  0.501779  0.562163  1
  Ni  Ni231  1  0.587638  0.246098  0.517296  1
  Ni  Ni232  1  0.124690  0.418049  0.556089  1
  Ni  Ni233  1  0.875436  0.615723  0.534527  1
  Ni  Ni234  1  0.410191  0.791050  0.573278  1
  Ni  Ni235  1  0.722756  0.959928  0.506716  1
  Ni  Ni236  1  0.259941  0.132113  0.545432  1
  Ni  Ni237  1  0.728878  0.653154  0.550474  1
  Ni  Ni238  1  0.192819  0.481282  0.511749  1
  Ni  Ni239  1  0.687568  0.581582  0.510272  1
  Ni  Ni240  1  0.223571  0.754561  0.548943  1
  Ni  Ni241  1  0.910650  0.995069  0.530814  1
  Ni  Ni242  1  0.447238  0.167059  0.569684  1
  Ni  Ni243  1  0.837311  0.225371  0.539964  1
  Ni  Ni244  1  0.373845  0.397761  0.578874  1
  Ni  Ni245  1  0.761410  0.350673  0.500971  1
  Ni  Ni246  1  0.297864  0.523109  0.539720  1
  Ni  Ni247  1  0.685286  0.281857  0.555039  1
  Ni  Ni248  1  0.148481  0.110310  0.516588  1
  Ni  Ni249  1  0.986697  0.638337  0.563259  1
  Ni  Ni250  1  0.449851  0.466575  0.524570  1
  Ni  Ni251  1  0.707385  0.459431  0.552541  1
  Ni  Ni252  1  0.170898  0.287771  0.514172  1
  Ni  Ni253  1  0.964589  0.460937  0.566024  1
  Ni  Ni254  1  0.427478  0.288941  0.527230  1
  Ni  Ni255  1  0.598410  0.821526  0.519373  1
  Ni  Ni256  1  0.134574  0.994309  0.558130  1
  Ni  Ni257  1  0.999610  0.755434  0.521771  1
  Ni  Ni258  1  0.536571  0.927036  0.560530  1
  Ni  Ni259  1  0.972907  0.056966  0.570663  1
  Ni  Ni260  1  0.436285  0.884589  0.532107  1
  Ni  Ni261  1  0.698268  0.864318  0.547842  1
  Ni  Ni262  1  0.161432  0.693030  0.509101  1
  Ni  Ni263  1  0.943279  0.267119  0.568102  1
  Ni  Ni264  1  0.405595  0.095483  0.529563  1
  Ni  Ni265  1  0.677766  0.391572  0.655983  1
  Ni  Ni266  1  0.140463  0.218334  0.617519  1
  Ni  Ni267  1  0.047595  0.191343  0.647751  1
  Ni  Ni268  1  0.511421  0.019711  0.607875  1
  Ni  Ni269  1  0.770864  0.417133  0.626337  1
  Ni  Ni270  1  0.234223  0.244877  0.588277  1
  Ni  Ni271  1  0.084114  0.672705  0.600615  1
  Ni  Ni272  1  0.621775  0.847624  0.639722  1
  Ni  Ni273  1  0.661622  0.590362  0.594150  1
  Ni  Ni274  1  0.198543  0.762800  0.632678  1
  Ni  Ni275  1  0.946077  0.965500  0.612414  1
  Ni  Ni276  1  0.487054  0.133026  0.650365  1
  Ni  Ni277  1  0.797383  0.303612  0.583689  1
  Ni  Ni278  1  0.332378  0.477383  0.622623  1
  Ni  Ni279  1  0.803624  -0.003358  0.627673  1
  Ni  Ni280  1  0.265529  0.825172  0.589045  1
  Ni  Ni281  1  0.760732  0.926032  0.587634  1
  Ni  Ni282  1  0.297951  0.097215  0.626719  1
  Ni  Ni283  1  0.984483  0.338230  0.608561  1
  Ni  Ni284  1  0.521335  0.513023  0.646614  1
  Ni  Ni285  1  0.911093  0.569190  0.617223  1
  Ni  Ni286  1  0.446098  0.744770  0.657677  1
  Ni  Ni287  1  0.834176  0.695179  0.578166  1
  Ni  Ni288  1  0.373485  0.864536  0.617890  1
  Ni  Ni289  1  0.759284  0.626033  0.632585  1
  Ni  Ni290  1  0.222136  0.453568  0.593730  1
  Ni  Ni291  1  0.059820  0.985486  0.641038  1
  Ni  Ni292  1  0.522821  0.811502  0.601682  1
  Ni  Ni293  1  0.781789  0.803984  0.630127  1
  Ni  Ni294  1  0.243878  0.631702  0.591064  1
  Ni  Ni295  1  0.037826  0.803477  0.641601  1
  Ni  Ni296  1  0.501011  0.632605  0.603608  1
  Ni  Ni297  1  0.671610  0.166140  0.596638  1
  Ni  Ni298  1  0.208683  0.337430  0.635570  1
  Ni  Ni299  1  0.073621  0.098831  0.599601  1
  Ni  Ni300  1  0.608386  0.273471  0.637563  1
  Ni  Ni301  1  0.046914  0.400077  0.648691  1
  Ni  Ni302  1  0.509679  0.229096  0.609243  1
  Ni  Ni303  1  0.772224  0.208768  0.624616  1
  Ni  Ni304  1  0.235694  0.036306  0.586450  1
  Ni  Ni305  1  0.016903  0.611423  0.645105  1
  Ni  Ni306  1  0.479104  0.440191  0.606492  1
  Ni  Ni307  1  0.747626  0.726282  0.733899  1
  Ni  Ni308  1  0.211508  0.562894  0.695660  1
  Ni  Ni309  1  0.114616  0.537805  0.724700  1
  Ni  Ni310  1  0.583427  0.366070  0.685213  1
  Ni  Ni311  1  0.841186  0.759638  0.704843  1
  Ni  Ni312  1  0.303683  0.591685  0.665858  1
  Ni  Ni313  1  0.162209  0.008751  0.677386  1
  Ni  Ni314  1  0.692330  0.192864  0.716640  1
  Ni  Ni315  1  0.735119  0.936799  0.672212  1
  Ni  Ni316  1  0.273303  0.115698  0.710883  1
  Ni  Ni317  1  0.019568  0.312836  0.690695  1
  Ni  Ni318  1  0.569661  0.470280  0.726628  1
  Ni  Ni319  1  0.872623  0.645966  0.661205  1
  Ni  Ni320  1  0.445651  0.800614  0.701726  1
  Ni  Ni321  1  0.872935  0.342180  0.704001  1
  Ni  Ni322  1  0.337765  0.172578  0.667087  1
  Ni  Ni323  1  0.837518  0.267532  0.664419  1
  Ni  Ni324  1  0.368843  0.450367  0.703612  1
  Ni  Ni325  1  0.056853  0.685980  0.685845  1
  Ni  Ni326  1  0.595247  0.857628  0.722233  1
  Ni  Ni327  1  0.986377  0.917828  0.699728  1
  Ni  Ni328  1  0.527527  0.091630  0.726411  1
  Ni  Ni329  1  0.915680  0.033181  0.658624  1
  Ni  Ni330  1  0.437481  0.223763  0.691785  1
  Ni  Ni331  1  0.827298  0.974875  0.706816  1
  Ni  Ni332  1  0.294692  0.795336  0.669569  1
  Ni  Ni333  1  0.131804  0.330097  0.715996  1
  Ni  Ni334  1  0.596217  0.156283  0.681332  1
  Ni  Ni335  1  0.853009  0.146939  0.704466  1
  Ni  Ni336  1  0.324628  0.971824  0.669879  1
  Ni  Ni337  1  0.129453  0.131606  0.716622  1
  Ni  Ni338  1  0.578175  0.978969  0.681374  1
  Ni  Ni339  1  0.742819  0.512662  0.673170  1
  Ni  Ni340  1  0.268575  0.698962  0.711381  1
  Ni  Ni341  1  0.146940  0.443481  0.677101  1
  Ni  Ni342  1  0.672711  0.621977  0.713820  1
  Ni  Ni343  1  0.117619  0.739552  0.725372  1
  Ni  Ni344  1  0.579953  0.577500  0.686165  1
  Ni  Ni345  1  0.838757  0.551794  0.702455  1
  Ni  Ni346  1  0.305711  0.385024  0.664094  1
  Ni  Ni347  1  0.128747  0.930238  0.719415  1
  Ni  Ni348  1  0.565381  0.785640  0.680719  1
