# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68736043
_cell_length_b   23.11061546
_cell_length_c   53.24747560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.93387607
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10630.6483445
_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  0.595007  0.488433  0.335851  1
  Zr  Zr2  1  0.039649  0.131695  0.301608  1
  Zr  Zr3  1  0.156927  0.853200  0.373346  1
  Zr  Zr4  1  0.783070  0.801871  0.336863  1
  Zr  Zr5  1  0.211661  0.441524  0.300445  1
  Zr  Zr6  1  0.332658  0.161438  0.373247  1
  Zr  Zr7  1  0.259788  0.619415  0.296617  1
  Zr  Zr8  1  0.340235  0.346610  0.370242  1
  Zr  Zr9  1  0.781721  0.987828  0.329034  1
  Zr  Zr10  1  0.147965  0.666802  0.375324  1
  Zr  Zr11  1  0.599432  0.303732  0.340050  1
  Zr  Zr12  1  0.059882  0.939891  0.301718  1
  Zr  Zr13  1  0.588523  0.648436  0.362536  1
  Zr  Zr14  1  0.023509  0.288643  0.327603  1
  Zr  Zr15  1  0.471650  0.935420  0.291570  1
  Zr  Zr16  1  0.792719  0.645098  0.311028  1
  Zr  Zr17  1  0.900235  0.365283  0.383664  1
  Zr  Zr18  1  0.347733  0.005900  0.345865  1
  Zr  Zr19  1  0.295121  0.776292  0.318115  1
  Zr  Zr20  1  0.734912  0.420649  0.283460  1
  Zr  Zr21  1  0.844897  0.138191  0.356950  1
  Zr  Zr22  1  0.086647  0.514809  0.354327  1
  Zr  Zr23  1  0.527910  0.160423  0.317546  1
  Zr  Zr24  1  0.648271  0.877440  0.390500  1
  Zr  Zr25  1  0.265927  0.573484  0.446580  1
  Zr  Zr26  1  0.710381  0.212264  0.410614  1
  Zr  Zr27  1  0.821669  0.933888  0.483573  1
  Zr  Zr28  1  0.446125  0.883262  0.445796  1
  Zr  Zr29  1  0.888503  0.522497  0.408746  1
  Zr  Zr30  1  0.998771  0.244203  0.482464  1
  Zr  Zr31  1  0.898835  0.708408  0.406673  1
  Zr  Zr32  1  0.006950  0.429392  0.480107  1
  Zr  Zr33  1  0.453382  0.067558  0.443297  1
  Zr  Zr34  1  0.812667  0.749079  0.485439  1
  Zr  Zr35  1  0.258173  0.388732  0.449138  1
  Zr  Zr36  1  0.705201  0.025525  0.411760  1
  Zr  Zr37  1  0.253609  0.730449  0.471658  1
  Zr  Zr38  1  0.698159  0.370040  0.435382  1
  Zr  Zr39  1  0.144222  0.007511  0.398229  1
  Zr  Zr40  1  0.459402  0.726441  0.420285  1
  Zr  Zr41  1  0.567549  0.447935  0.493646  1
  Zr  Zr42  1  0.011926  0.086410  0.457362  1
  Zr  Zr43  1  0.957114  0.859370  0.428378  1
  Zr  Zr44  1  0.399537  0.497588  0.390852  1
  Zr  Zr45  1  0.510848  0.220167  0.465050  1
  Zr  Zr46  1  0.754745  0.597367  0.463934  1
  Zr  Zr47  1  0.198190  0.236349  0.427970  1
  Zr  Zr48  1  0.310026  0.957871  0.500985  1
  Zr  Zr49  1  0.929240  0.655776  0.556423  1
  Zr  Zr50  1  0.376791  0.294826  0.519842  1
  Zr  Zr51  1  0.486963  0.016425  0.593513  1
  Zr  Zr52  1  0.109577  0.965444  0.555674  1
  Zr  Zr53  1  0.553684  0.605152  0.518659  1
  Zr  Zr54  1  0.665036  0.326888  0.591662  1
  Zr  Zr55  1  0.562708  0.790000  0.516791  1
  Zr  Zr56  1  0.670062  0.513566  0.590500  1
  Zr  Zr57  1  0.117419  0.150195  0.553105  1
  Zr  Zr58  1  0.476363  0.830470  0.595613  1
  Zr  Zr59  1  0.922147  0.471521  0.558982  1
  Zr  Zr60  1  0.368524  0.109545  0.522135  1
  Zr  Zr61  1  0.916031  0.812512  0.581974  1
  Zr  Zr62  1  0.363522  0.452692  0.544945  1
  Zr  Zr63  1  0.807890  0.091016  0.508602  1
  Zr  Zr64  1  0.121743  0.808599  0.530570  1
  Zr  Zr65  1  0.231572  0.531418  0.603762  1
  Zr  Zr66  1  0.677344  0.168950  0.566888  1
  Zr  Zr67  1  0.620642  0.941580  0.538325  1
  Zr  Zr68  1  0.065421  0.581147  0.501234  1
  Zr  Zr69  1  0.177343  0.302741  0.574312  1
  Zr  Zr70  1  0.418326  0.679680  0.573854  1
  Zr  Zr71  1  0.864674  0.318864  0.537251  1
  Zr  Zr72  1  0.975911  0.041388  0.611406  1
  Zr  Zr73  1  0.592111  0.736842  0.665321  1
  Zr  Zr74  1  0.042999  0.377872  0.629058  1
  Zr  Zr75  1  0.163722  0.097644  0.701774  1
  Zr  Zr76  1  0.780324  0.050683  0.666384  1
  Zr  Zr77  1  0.218088  0.685812  0.628929  1
  Zr  Zr78  1  0.338540  0.406426  0.700062  1
  Zr  Zr79  1  0.227285  0.872113  0.626956  1
  Zr  Zr80  1  0.308315  0.597810  0.700285  1
  Zr  Zr81  1  0.777076  0.235483  0.662224  1
  Zr  Zr82  1  0.115550  0.919679  0.705624  1
  Zr  Zr83  1  0.591522  0.550955  0.673537  1
  Zr  Zr84  1  0.035227  0.192170  0.631819  1
  Zr  Zr85  1  0.582443  0.894202  0.691226  1
  Zr  Zr86  1  0.029103  0.533116  0.656673  1
  Zr  Zr87  1  0.475266  0.173807  0.618577  1
  Zr  Zr88  1  0.786820  0.890505  0.639725  1
  Zr  Zr89  1  0.905227  0.603789  0.710631  1
  Zr  Zr90  1  0.352005  0.250757  0.674747  1
  Zr  Zr91  1  0.288677  0.024271  0.647914  1
  Zr  Zr92  1  0.727104  0.661302  0.611791  1
  Zr  Zr93  1  0.848819  0.378489  0.684037  1
  Zr  Zr94  1  0.080221  0.762764  0.684042  1
  Zr  Zr95  1  0.530599  0.400930  0.645287  1
  Zr  Zr96  1  0.640474  0.118526  0.718772  1
  Ni  Ni97  1  0.467504  0.827237  0.354990  1
  Ni  Ni98  1  0.912375  0.465852  0.317722  1
  Ni  Ni99  1  0.336541  0.113270  0.283203  1
  Ni  Ni100  1  0.732784  0.538421  0.292335  1
  Ni  Ni101  1  0.849538  0.256059  0.365426  1
  Ni  Ni102  1  0.298457  0.896261  0.328236  1
  Ni  Ni103  1  0.642420  0.755985  0.381412  1
  Ni  Ni104  1  0.075920  0.396553  0.344027  1
  Ni  Ni105  1  0.519829  0.043728  0.307964  1
  Ni  Ni106  1  0.469670  0.496535  0.289186  1
  Ni  Ni107  1  0.591083  0.210107  0.362412  1
  Ni  Ni108  1  0.040809  0.848635  0.324408  1
  Ni  Ni109  1  0.901762  0.802883  0.383418  1
  Ni  Ni110  1  0.343663  0.436512  0.345302  1
  Ni  Ni111  1  0.778274  0.092924  0.314118  1
  Ni  Ni112  1  0.529320  0.592735  0.319590  1
  Ni  Ni113  1  0.978804  0.241228  0.284673  1
  Ni  Ni114  1  0.083228  0.954233  0.353191  1
  Ni  Ni115  1  0.853458  0.698934  0.353151  1
  Ni  Ni116  1  0.279853  0.338535  0.319215  1
  Ni  Ni117  1  0.405179  0.058656  0.390522  1
  Ni  Ni118  1  0.499906  0.687756  0.297656  1
  Ni  Ni119  1  0.602515  0.406873  0.369644  1
  Ni  Ni120  1  0.043260  0.047366  0.332089  1
  Ni  Ni121  1  0.362319  0.740281  0.371357  1
  Ni  Ni122  1  0.795857  0.381395  0.332947  1
  Ni  Ni123  1  0.238265  0.023473  0.298591  1
  Ni  Ni124  1  0.021989  0.551554  0.301783  1
  Ni  Ni125  1  0.127163  0.273051  0.375282  1
  Ni  Ni126  1  0.575501  0.912621  0.337830  1
  Ni  Ni127  1  0.066066  0.617880  0.336070  1
  Ni  Ni128  1  0.476726  0.269585  0.300106  1
  Ni  Ni129  1  0.617921  0.980163  0.372540  1
  Ni  Ni130  1  0.316764  0.673844  0.334708  1
  Ni  Ni131  1  0.749817  0.311288  0.297191  1
  Ni  Ni132  1  0.871600  0.032380  0.369981  1
  Ni  Ni133  1  0.034100  0.711610  0.314327  1
  Ni  Ni134  1  0.141467  0.432394  0.388184  1
  Ni  Ni135  1  0.587871  0.074865  0.351584  1
  Ni  Ni136  1  0.348784  0.581811  0.358500  1
  Ni  Ni137  1  0.793957  0.213736  0.319914  1
  Ni  Ni138  1  0.257778  0.857736  0.285178  1
  Ni  Ni139  1  0.081732  0.757836  0.352542  1
  Ni  Ni140  1  0.511884  0.390062  0.311679  1
  Ni  Ni141  1  0.944037  0.035319  0.285006  1
  Ni  Ni142  1  0.298257  0.532673  0.322744  1
  Ni  Ni143  1  0.412526  0.255558  0.393850  1
  Ni  Ni144  1  0.859446  0.898235  0.354751  1
  Ni  Ni145  1  0.716227  0.751557  0.295773  1
  Ni  Ni146  1  0.839086  0.465875  0.365207  1
  Ni  Ni147  1  0.283731  0.109574  0.329110  1
  Ni  Ni148  1  0.642423  0.547806  0.379566  1
  Ni  Ni149  1  0.084153  0.188106  0.343713  1
  Ni  Ni150  1  0.525726  0.829965  0.307692  1
  Ni  Ni151  1  0.812622  0.559829  0.339198  1
  Ni  Ni152  1  0.245595  0.208511  0.304040  1
  Ni  Ni153  1  0.371806  0.921618  0.376272  1
  Ni  Ni154  1  0.567533  0.733432  0.334797  1
  Ni  Ni155  1  1.000037  0.367541  0.296660  1
  Ni  Ni156  1  0.120233  0.092957  0.369819  1
  Ni  Ni157  1  0.887809  0.606165  0.376654  1
  Ni  Ni158  1  0.333220  0.245269  0.342240  1
  Ni  Ni159  1  0.776750  0.882543  0.303952  1
  Ni  Ni160  1  0.133706  0.908455  0.464731  1
  Ni  Ni161  1  0.576658  0.547839  0.427481  1
  Ni  Ni162  1  0.024306  0.186443  0.392265  1
  Ni  Ni163  1  0.405842  0.619062  0.401234  1
  Ni  Ni164  1  0.516332  0.340626  0.474315  1
  Ni  Ni165  1  0.962387  0.979236  0.437670  1
  Ni  Ni166  1  0.304973  0.837326  0.491569  1
  Ni  Ni167  1  0.749024  0.477285  0.454550  1
  Ni  Ni168  1  0.193892  0.114638  0.418491  1
  Ni  Ni169  1  0.147570  0.573183  0.398623  1
  Ni  Ni170  1  0.257102  0.294846  0.472011  1
  Ni  Ni171  1  0.703680  0.933494  0.435609  1
  Ni  Ni172  1  0.563674  0.883500  0.493807  1
  Ni  Ni173  1  0.008460  0.522768  0.456847  1
  Ni  Ni174  1  0.451462  0.161955  0.420991  1
  Ni  Ni175  1  0.194898  0.675227  0.428118  1
  Ni  Ni176  1  0.638550  0.313905  0.392671  1
  Ni  Ni177  1  0.749885  0.035132  0.464970  1
  Ni  Ni178  1  0.516623  0.781719  0.463975  1
  Ni  Ni179  1  0.960947  0.420997  0.427444  1
  Ni  Ni180  1  0.070909  0.142285  0.500643  1
  Ni  Ni181  1  0.161091  0.768830  0.405682  1
  Ni  Ni182  1  0.268838  0.490192  0.478860  1
  Ni  Ni183  1  0.713818  0.128078  0.442173  1
  Ni  Ni184  1  0.027722  0.822174  0.481370  1
  Ni  Ni185  1  0.471664  0.461844  0.444466  1
  Ni  Ni186  1  0.917701  0.098318  0.407935  1
  Ni  Ni187  1  0.684254  0.633943  0.411076  1
  Ni  Ni188  1  0.793074  0.356129  0.484621  1
  Ni  Ni189  1  0.239105  0.994708  0.447860  1
  Ni  Ni190  1  0.727268  0.700652  0.447061  1
  Ni  Ni191  1  0.170344  0.339703  0.411225  1
  Ni  Ni192  1  0.281510  0.060837  0.483983  1
  Ni  Ni193  1  0.984774  0.756367  0.445036  1
  Ni  Ni194  1  0.428368  0.395088  0.408563  1
  Ni  Ni195  1  0.539354  0.116531  0.481432  1
  Ni  Ni196  1  0.698842  0.794567  0.424654  1
  Ni  Ni197  1  0.808078  0.515263  0.497877  1
  Ni  Ni198  1  0.253791  0.153732  0.461504  1
  Ni  Ni199  1  0.012551  0.663261  0.467383  1
  Ni  Ni200  1  0.455882  0.302321  0.431322  1
  Ni  Ni201  1  0.906368  0.940722  0.393606  1
  Ni  Ni202  1  0.743361  0.840022  0.462452  1
  Ni  Ni203  1  0.187351  0.479398  0.425403  1
  Ni  Ni204  1  0.629946  0.117662  0.390209  1
  Ni  Ni205  1  0.968198  0.616619  0.429915  1
  Ni  Ni206  1  0.078440  0.338185  0.503459  1
  Ni  Ni207  1  0.523545  0.977060  0.466897  1
  Ni  Ni208  1  0.404266  0.826720  0.402449  1
  Ni  Ni209  1  0.510658  0.547827  0.475394  1
  Ni  Ni210  1  0.955031  0.185973  0.439405  1
  Ni  Ni211  1  0.309411  0.630688  0.489791  1
  Ni  Ni212  1  0.754623  0.270086  0.453484  1
  Ni  Ni213  1  0.202224  0.908499  0.417055  1
  Ni  Ni214  1  0.480271  0.641508  0.449236  1
  Ni  Ni215  1  0.924140  0.280539  0.413242  1
  Ni  Ni216  1  0.035228  0.001731  0.486147  1
  Ni  Ni217  1  0.232165  0.815340  0.443060  1
  Ni  Ni218  1  0.674694  0.454689  0.406422  1
  Ni  Ni219  1  0.785147  0.175854  0.479566  1
  Ni  Ni220  1  0.551479  0.688480  0.486543  1
  Ni  Ni221  1  0.996339  0.327860  0.450439  1
  Ni  Ni222  1  0.444054  0.966522  0.413701  1
  Ni  Ni223  1  0.798772  0.991095  0.574772  1
  Ni  Ni224  1  0.241674  0.630668  0.537481  1
  Ni  Ni225  1  0.687761  0.269505  0.501152  1
  Ni  Ni226  1  0.070380  0.701734  0.510648  1
  Ni  Ni227  1  0.181528  0.424344  0.583824  1
  Ni  Ni228  1  0.626410  0.061686  0.547689  1
  Ni  Ni229  1  0.969497  0.919884  0.601029  1
  Ni  Ni230  1  0.413134  0.559947  0.564462  1
  Ni  Ni231  1  0.859179  0.198358  0.527972  1
  Ni  Ni232  1  0.811727  0.655540  0.508417  1
  Ni  Ni233  1  0.923944  0.377164  0.581303  1
  Ni  Ni234  1  0.366997  0.016160  0.545403  1
  Ni  Ni235  1  0.227852  0.965749  0.603641  1
  Ni  Ni236  1  0.671764  0.605582  0.566580  1
  Ni  Ni237  1  0.118422  0.244168  0.530289  1
  Ni  Ni238  1  0.858728  0.757324  0.538262  1
  Ni  Ni239  1  0.304595  0.396722  0.501643  1
  Ni  Ni240  1  0.414640  0.117921  0.574795  1
  Ni  Ni241  1  0.180486  0.863724  0.574144  1
  Ni  Ni242  1  0.625596  0.503880  0.537219  1
  Ni  Ni243  1  0.736925  0.225214  0.609586  1
  Ni  Ni244  1  0.823906  0.850560  0.515702  1
  Ni  Ni245  1  0.931253  0.572542  0.588475  1
  Ni  Ni246  1  0.379232  0.211127  0.551839  1
  Ni  Ni247  1  0.691083  0.904982  0.591186  1
  Ni  Ni248  1  0.136241  0.544443  0.554298  1
  Ni  Ni249  1  0.582468  0.182860  0.517675  1
  Ni  Ni250  1  0.347628  0.716929  0.520846  1
  Ni  Ni251  1  0.457889  0.440666  0.594421  1
  Ni  Ni252  1  0.903807  0.077066  0.557763  1
  Ni  Ni253  1  0.390584  0.782666  0.557201  1
  Ni  Ni254  1  0.836169  0.422487  0.520849  1
  Ni  Ni255  1  0.946945  0.143828  0.593616  1
  Ni  Ni256  1  0.648081  0.838287  0.555221  1
  Ni  Ni257  1  0.093949  0.478152  0.518236  1
  Ni  Ni258  1  0.205373  0.199301  0.590983  1
  Ni  Ni259  1  0.362771  0.875768  0.534863  1
  Ni  Ni260  1  0.469060  0.598325  0.608593  1
  Ni  Ni261  1  0.919761  0.236681  0.570941  1
  Ni  Ni262  1  0.676670  0.744302  0.577595  1
  Ni  Ni263  1  0.121694  0.385342  0.540782  1
  Ni  Ni264  1  0.567428  0.023682  0.504352  1
  Ni  Ni265  1  0.407256  0.922286  0.572361  1
  Ni  Ni266  1  0.851870  0.561953  0.535316  1
  Ni  Ni267  1  0.297104  0.200842  0.498852  1
  Ni  Ni268  1  0.631953  0.699061  0.539741  1
  Ni  Ni269  1  0.745940  0.421458  0.612186  1
  Ni  Ni270  1  0.188111  0.059532  0.576854  1
  Ni  Ni271  1  0.065991  0.908365  0.512427  1
  Ni  Ni272  1  0.173178  0.630605  0.585184  1
  Ni  Ni273  1  0.620900  0.268948  0.548818  1
  Ni  Ni274  1  0.970749  0.712200  0.599790  1
  Ni  Ni275  1  0.420481  0.353125  0.562905  1
  Ni  Ni276  1  0.864777  0.991109  0.526860  1
  Ni  Ni277  1  0.143146  0.723713  0.559171  1
  Ni  Ni278  1  0.590373  0.363172  0.522726  1
  Ni  Ni279  1  0.700751  0.084260  0.595825  1
  Ni  Ni280  1  0.895138  0.897443  0.553022  1
  Ni  Ni281  1  0.340167  0.537281  0.516056  1
  Ni  Ni282  1  0.451385  0.258543  0.589026  1
  Ni  Ni283  1  0.214190  0.770109  0.596569  1
  Ni  Ni284  1  0.661654  0.411026  0.560095  1
  Ni  Ni285  1  0.106625  0.048732  0.523361  1
  Ni  Ni286  1  0.463154  0.073352  0.684492  1
  Ni  Ni287  1  0.905937  0.711697  0.647201  1
  Ni  Ni288  1  0.351067  0.352658  0.610057  1
  Ni  Ni289  1  0.732683  0.783093  0.620784  1
  Ni  Ni290  1  0.853727  0.495208  0.694249  1
  Ni  Ni291  1  0.299522  0.142629  0.658191  1
  Ni  Ni292  1  0.642522  0.000764  0.709890  1
  Ni  Ni293  1  0.075483  0.643634  0.673713  1
  Ni  Ni294  1  0.526208  0.282961  0.636912  1
  Ni  Ni295  1  0.473616  0.735878  0.618826  1
  Ni  Ni296  1  0.597894  0.445241  0.688135  1
  Ni  Ni297  1  0.031740  0.102580  0.656944  1
  Ni  Ni298  1  0.905688  0.042654  0.713049  1
  Ni  Ni299  1  0.334572  0.689908  0.677966  1
  Ni  Ni300  1  0.784525  0.328960  0.639822  1
  Ni  Ni301  1  0.521904  0.839955  0.649183  1
  Ni  Ni302  1  0.970339  0.480676  0.611834  1
  Ni  Ni303  1  0.095394  0.200706  0.682997  1
  Ni  Ni304  1  0.845965  0.946320  0.682658  1
  Ni  Ni305  1  0.291769  0.584714  0.648800  1
  Ni  Ni306  1  0.397646  0.297996  0.717656  1
  Ni  Ni307  1  0.487549  0.932739  0.625610  1
  Ni  Ni308  1  0.597824  0.656078  0.698347  1
  Ni  Ni309  1  0.042714  0.293821  0.659958  1
  Ni  Ni310  1  0.353232  0.987656  0.700431  1
  Ni  Ni311  1  0.799064  0.625994  0.664534  1
  Ni  Ni312  1  0.248421  0.265906  0.626983  1
  Ni  Ni313  1  0.012968  0.798555  0.630930  1
  Ni  Ni314  1  0.134715  0.511305  0.704783  1
  Ni  Ni315  1  0.579626  0.157925  0.669261  1
  Ni  Ni316  1  0.058416  0.865202  0.667562  1
  Ni  Ni317  1  0.503520  0.506799  0.632379  1
  Ni  Ni318  1  0.625846  0.227863  0.705033  1
  Ni  Ni319  1  0.309204  0.921182  0.666173  1
  Ni  Ni320  1  0.757698  0.558742  0.629862  1
  Ni  Ni321  1  0.898233  0.270056  0.702050  1
  Ni  Ni322  1  0.026574  0.957188  0.643753  1
  Ni  Ni323  1  0.117878  0.681883  0.717019  1
  Ni  Ni324  1  0.583362  0.325460  0.682414  1
  Ni  Ni325  1  0.341424  0.827504  0.687947  1
  Ni  Ni326  1  0.787605  0.464400  0.650750  1
  Ni  Ni327  1  0.234306  0.106587  0.614040  1
  Ni  Ni328  1  0.076945  0.006428  0.679491  1
  Ni  Ni329  1  0.515873  0.640384  0.647552  1
  Ni  Ni330  1  0.963067  0.283581  0.608402  1
  Ni  Ni331  1  0.293886  0.781027  0.649748  1
  Ni  Ni332  1  0.431974  0.502944  0.717155  1
  Ni  Ni333  1  0.863470  0.149057  0.690545  1
  Ni  Ni334  1  0.732956  0.991149  0.622686  1
  Ni  Ni335  1  0.848567  0.709241  0.694616  1
  Ni  Ni336  1  0.290745  0.350988  0.658498  1
  Ni  Ni337  1  0.655844  0.787643  0.706244  1
  Ni  Ni338  1  0.091512  0.429040  0.673385  1
  Ni  Ni339  1  0.536266  0.073250  0.637023  1
  Ni  Ni340  1  0.807391  0.805538  0.667447  1
  Ni  Ni341  1  0.254887  0.446311  0.632648  1
  Ni  Ni342  1  0.375430  0.171650  0.705549  1
  Ni  Ni343  1  0.562683  0.979308  0.663018  1
  Ni  Ni344  1  1.003528  0.617173  0.625953  1
  Ni  Ni345  1  0.130107  0.330460  0.698197  1
  Ni  Ni346  1  0.874795  0.851129  0.704589  1
  Ni  Ni347  1  0.331059  0.491557  0.670402  1
  Ni  Ni348  1  0.772889  0.132203  0.632584  1
