# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.89145297
_cell_length_b   13.92351930
_cell_length_c   53.21508947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.09312109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr90 Ni270'
_cell_volume   10266.4984632
_cell_formula_units_Z   90
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  0.300258  0.175187  0.274141  1
  Zr  Zr2  1  0.342414  0.741383  0.333864  1
  Zr  Zr3  1  0.318052  0.453498  0.301532  1
  Zr  Zr4  1  0.633592  0.841854  0.274141  1
  Zr  Zr5  1  0.675747  0.408050  0.333864  1
  Zr  Zr6  1  0.966925  0.508521  0.274141  1
  Zr  Zr7  1  0.651385  0.120165  0.301532  1
  Zr  Zr8  1  0.009081  0.074716  0.333864  1
  Zr  Zr9  1  0.984719  0.786831  0.301532  1
  Zr  Zr10  1  0.434437  0.968685  0.295642  1
  Zr  Zr11  1  0.469886  0.536086  0.358736  1
  Zr  Zr12  1  0.449233  0.250382  0.328129  1
  Zr  Zr13  1  0.767770  0.635352  0.295642  1
  Zr  Zr14  1  0.803220  0.202752  0.358736  1
  Zr  Zr15  1  0.101104  0.302019  0.295642  1
  Zr  Zr16  1  0.782566  0.917048  0.328129  1
  Zr  Zr17  1  0.136553  0.869419  0.358736  1
  Zr  Zr18  1  0.115899  0.583715  0.328129  1
  Zr  Zr19  1  0.361861  0.027075  0.363891  1
  Zr  Zr20  1  0.402780  0.602569  0.424170  1
  Zr  Zr21  1  0.382120  0.315563  0.393792  1
  Zr  Zr22  1  0.695194  0.693742  0.363891  1
  Zr  Zr23  1  0.736113  0.269236  0.424170  1
  Zr  Zr24  1  0.028528  0.360408  0.363891  1
  Zr  Zr25  1  0.715454  0.982230  0.393792  1
  Zr  Zr26  1  0.069446  0.935903  0.424170  1
  Zr  Zr27  1  0.048787  0.648897  0.393792  1
  Zr  Zr28  1  0.490320  0.823079  0.388710  1
  Zr  Zr29  1  0.531544  0.397699  0.449480  1
  Zr  Zr30  1  0.511197  0.110229  0.418976  1
  Zr  Zr31  1  0.823653  0.489745  0.388710  1
  Zr  Zr32  1  0.864877  0.064366  0.449480  1
  Zr  Zr33  1  0.156986  0.156412  0.388710  1
  Zr  Zr34  1  0.844531  0.776896  0.418976  1
  Zr  Zr35  1  0.198210  0.731032  0.449480  1
  Zr  Zr36  1  0.177864  0.443563  0.418976  1
  Zr  Zr37  1  0.423406  0.889966  0.454624  1
  Zr  Zr38  1  0.464356  0.464744  0.515260  1
  Zr  Zr39  1  0.443834  0.177389  0.484953  1
  Zr  Zr40  1  0.756739  0.556633  0.454624  1
  Zr  Zr41  1  0.797689  0.131410  0.515260  1
  Zr  Zr42  1  0.090072  0.223300  0.454624  1
  Zr  Zr43  1  0.777168  0.844055  0.484953  1
  Zr  Zr44  1  0.131023  0.798077  0.515260  1
  Zr  Zr45  1  0.110501  0.510722  0.484953  1
  Zr  Zr46  1  0.552151  0.685220  0.479815  1
  Zr  Zr47  1  0.593101  0.259997  0.540451  1
  Zr  Zr48  1  0.572673  0.972575  0.510122  1
  Zr  Zr49  1  0.885484  0.351887  0.479815  1
  Zr  Zr50  1  0.926435  0.926664  0.540451  1
  Zr  Zr51  1  0.218818  0.018553  0.479815  1
  Zr  Zr52  1  0.906006  0.639242  0.510122  1
  Zr  Zr53  1  0.259768  0.593331  0.540451  1
  Zr  Zr54  1  0.239339  0.305908  0.510122  1
  Zr  Zr55  1  0.484963  0.752265  0.545596  1
  Zr  Zr56  1  0.526187  0.326885  0.606365  1
  Zr  Zr57  1  0.505310  0.039734  0.576100  1
  Zr  Zr58  1  0.818297  0.418931  0.545596  1
  Zr  Zr59  1  0.859521  0.993552  0.606365  1
  Zr  Zr60  1  0.151630  0.085598  0.545596  1
  Zr  Zr61  1  0.838643  0.706401  0.576100  1
  Zr  Zr62  1  0.192854  0.660218  0.606365  1
  Zr  Zr63  1  0.171976  0.373068  0.576100  1
  Zr  Zr64  1  0.613727  0.547394  0.570905  1
  Zr  Zr65  1  0.654646  0.122889  0.631184  1
  Zr  Zr66  1  0.634387  0.834400  0.601284  1
  Zr  Zr67  1  0.947061  0.214061  0.570905  1
  Zr  Zr68  1  0.987979  0.789555  0.631184  1
  Zr  Zr69  1  0.280394  0.880728  0.570905  1
  Zr  Zr70  1  0.967720  0.501067  0.601284  1
  Zr  Zr71  1  0.321313  0.456222  0.631184  1
  Zr  Zr72  1  0.301053  0.167734  0.601284  1
  Zr  Zr73  1  0.546621  0.613878  0.636339  1
  Zr  Zr74  1  0.582070  0.181278  0.699434  1
  Zr  Zr75  1  0.567274  0.899582  0.666946  1
  Zr  Zr76  1  0.879954  0.280545  0.636339  1
  Zr  Zr77  1  0.915403  0.847945  0.699434  1
  Zr  Zr78  1  0.213287  0.947211  0.636339  1
  Zr  Zr79  1  0.900608  0.566249  0.666946  1
  Zr  Zr80  1  0.248737  0.514612  0.699434  1
  Zr  Zr81  1  0.233941  0.232915  0.666946  1
  Zr  Zr82  1  0.674093  0.408581  0.661212  1
  Zr  Zr83  1  0.716249  0.974776  0.720934  1
  Zr  Zr84  1  0.698455  0.696466  0.693544  1
  Zr  Zr85  1  0.007426  0.075247  0.661212  1
  Zr  Zr86  1  0.049582  0.641443  0.720934  1
  Zr  Zr87  1  0.340760  0.741914  0.661212  1
  Zr  Zr88  1  0.031788  0.363132  0.693544  1
  Zr  Zr89  1  0.382915  0.308110  0.720934  1
  Zr  Zr90  1  0.365122  0.029799  0.693544  1
  Ni  Ni91  1  0.328514  0.097219  0.318207  1
  Ni  Ni92  1  0.312272  0.814138  0.288953  1
  Ni  Ni93  1  0.349036  0.385808  0.347848  1
  Ni  Ni94  1  0.661848  0.763885  0.318207  1
  Ni  Ni95  1  0.645606  0.480804  0.288953  1
  Ni  Ni96  1  0.995181  0.430552  0.318207  1
  Ni  Ni97  1  0.682369  0.052474  0.347848  1
  Ni  Ni98  1  0.978939  0.147471  0.288953  1
  Ni  Ni99  1  0.015703  0.719141  0.347848  1
  Ni  Ni100  1  0.249416  0.987355  0.284481  1
  Ni  Ni101  1  0.293022  0.557913  0.342961  1
  Ni  Ni102  1  0.272283  0.270797  0.314166  1
  Ni  Ni103  1  0.582749  0.654022  0.284481  1
  Ni  Ni104  1  0.626355  0.224580  0.342961  1
  Ni  Ni105  1  0.916083  0.320689  0.284481  1
  Ni  Ni106  1  0.605616  0.937464  0.314166  1
  Ni  Ni107  1  0.959689  0.891247  0.342961  1
  Ni  Ni108  1  0.938949  0.604131  0.314166  1
  Ni  Ni109  1  0.460342  0.893607  0.342116  1
  Ni  Ni110  1  0.440311  0.606282  0.312314  1
  Ni  Ni111  1  0.424023  0.323897  0.283561  1
  Ni  Ni112  1  0.793675  0.560273  0.342116  1
  Ni  Ni113  1  0.773645  0.272949  0.312314  1
  Ni  Ni114  1  0.127009  0.226940  0.342116  1
  Ni  Ni115  1  0.757356  0.990563  0.283561  1
  Ni  Ni116  1  0.106978  0.939615  0.312314  1
  Ni  Ni117  1  0.090690  0.657230  0.283561  1
  Ni  Ni118  1  0.473245  0.151512  0.289641  1
  Ni  Ni119  1  0.518958  0.718102  0.347581  1
  Ni  Ni120  1  0.498919  0.434139  0.318025  1
  Ni  Ni121  1  0.806578  0.818178  0.289641  1
  Ni  Ni122  1  0.852291  0.384769  0.347581  1
  Ni  Ni123  1  0.139911  0.484845  0.289641  1
  Ni  Ni124  1  0.832253  0.100805  0.318025  1
  Ni  Ni125  1  0.185625  0.051435  0.347581  1
  Ni  Ni126  1  0.165586  0.767472  0.318025  1
  Ni  Ni127  1  0.508513  0.073771  0.333446  1
  Ni  Ni128  1  0.488106  0.787061  0.303583  1
  Ni  Ni129  1  0.478638  0.501658  0.275274  1
  Ni  Ni130  1  0.841847  0.740437  0.333446  1
  Ni  Ni131  1  0.821439  0.453728  0.303583  1
  Ni  Ni132  1  0.175180  0.407104  0.333446  1
  Ni  Ni133  1  0.811971  0.168324  0.275274  1
  Ni  Ni134  1  0.154773  0.120395  0.303583  1
  Ni  Ni135  1  0.145304  0.834991  0.275274  1
  Ni  Ni136  1  0.283409  0.917510  0.326819  1
  Ni  Ni137  1  0.265455  0.633977  0.297638  1
  Ni  Ni138  1  0.302005  0.202802  0.358112  1
  Ni  Ni139  1  0.616742  0.584177  0.326819  1
  Ni  Ni140  1  0.598789  0.300643  0.297638  1
  Ni  Ni141  1  0.950075  0.250844  0.326819  1
  Ni  Ni142  1  0.635338  0.869468  0.358112  1
  Ni  Ni143  1  0.932122  0.967310  0.297638  1
  Ni  Ni144  1  0.968671  0.536135  0.358112  1
  Ni  Ni145  1  0.391115  0.958705  0.409310  1
  Ni  Ni146  1  0.370301  0.671131  0.378806  1
  Ni  Ni147  1  0.411423  0.246200  0.439496  1
  Ni  Ni148  1  0.724448  0.625371  0.409310  1
  Ni  Ni149  1  0.703634  0.337798  0.378806  1
  Ni  Ni150  1  0.057782  0.292038  0.409310  1
  Ni  Ni151  1  0.744756  0.912866  0.439496  1
  Ni  Ni152  1  0.036968  0.004465  0.378806  1
  Ni  Ni153  1  0.078090  0.579533  0.439496  1
  Ni  Ni154  1  0.313511  0.845827  0.373904  1
  Ni  Ni155  1  0.354276  0.420323  0.434628  1
  Ni  Ni156  1  0.333962  0.133080  0.404341  1
  Ni  Ni157  1  0.646844  0.512493  0.373904  1
  Ni  Ni158  1  0.687610  0.086989  0.434628  1
  Ni  Ni159  1  0.980177  0.179160  0.373904  1
  Ni  Ni160  1  0.667295  0.799747  0.404341  1
  Ni  Ni161  1  0.020943  0.753656  0.434628  1
  Ni  Ni162  1  1.000629  0.466414  0.404341  1
  Ni  Ni163  1  0.523027  0.754405  0.434211  1
  Ni  Ni164  1  0.502468  0.466786  0.403947  1
  Ni  Ni165  1  0.481906  0.179272  0.373382  1
  Ni  Ni166  1  0.856360  0.421072  0.434211  1
  Ni  Ni167  1  0.835802  0.133452  0.403947  1
  Ni  Ni168  1  0.189694  0.087739  0.434211  1
  Ni  Ni169  1  0.815239  0.845938  0.373382  1
  Ni  Ni170  1  0.169135  0.800119  0.403947  1
  Ni  Ni171  1  0.148572  0.512605  0.373382  1
  Ni  Ni172  1  0.538963  0.005036  0.377994  1
  Ni  Ni173  1  0.580134  0.580173  0.439165  1
  Ni  Ni174  1  0.559440  0.292458  0.408802  1
  Ni  Ni175  1  0.872296  0.671703  0.377994  1
  Ni  Ni176  1  0.913467  0.246840  0.439165  1
  Ni  Ni177  1  0.205629  0.338370  0.377994  1
  Ni  Ni178  1  0.892774  0.959125  0.408802  1
  Ni  Ni179  1  0.246800  0.913506  0.439165  1
  Ni  Ni180  1  0.226107  0.625792  0.408802  1
  Ni  Ni181  1  0.570454  0.935509  0.424561  1
  Ni  Ni182  1  0.550086  0.648308  0.394435  1
  Ni  Ni183  1  0.529427  0.360423  0.364085  1
  Ni  Ni184  1  0.903787  0.602176  0.424561  1
  Ni  Ni185  1  0.883419  0.314975  0.394435  1
  Ni  Ni186  1  0.237121  0.268842  0.424561  1
  Ni  Ni187  1  0.862760  0.027090  0.364085  1
  Ni  Ni188  1  0.216752  0.981642  0.394435  1
  Ni  Ni189  1  0.196093  0.693757  0.364085  1
  Ni  Ni190  1  0.343467  0.777419  0.418823  1
  Ni  Ni191  1  0.322588  0.489899  0.388258  1
  Ni  Ni192  1  0.364164  0.065043  0.449139  1
  Ni  Ni193  1  0.676800  0.444085  0.418823  1
  Ni  Ni194  1  0.655921  0.156565  0.388258  1
  Ni  Ni195  1  0.010133  0.110752  0.418823  1
  Ni  Ni196  1  0.697498  0.731709  0.449139  1
  Ni  Ni197  1  0.989254  0.823232  0.388258  1
  Ni  Ni198  1  0.030831  0.398376  0.449139  1
  Ni  Ni199  1  0.452421  0.820944  0.500211  1
  Ni  Ni200  1  0.431866  0.533583  0.469851  1
  Ni  Ni201  1  0.472983  0.108275  0.530585  1
  Ni  Ni202  1  0.785754  0.487611  0.500211  1
  Ni  Ni203  1  0.765199  0.200249  0.469851  1
  Ni  Ni204  1  0.119088  0.154277  0.500211  1
  Ni  Ni205  1  0.806316  0.774942  0.530585  1
  Ni  Ni206  1  0.098533  0.866916  0.469851  1
  Ni  Ni207  1  0.139650  0.441608  0.530585  1
  Ni  Ni208  1  0.374799  0.707597  0.464946  1
  Ni  Ni209  1  0.415807  0.282355  0.525670  1
  Ni  Ni210  1  0.395354  0.995043  0.495316  1
  Ni  Ni211  1  0.708133  0.374263  0.464946  1
  Ni  Ni212  1  0.749140  0.949022  0.525670  1
  Ni  Ni213  1  0.041466  0.040930  0.464946  1
  Ni  Ni214  1  0.728687  0.661710  0.495316  1
  Ni  Ni215  1  0.082473  0.615689  0.525670  1
  Ni  Ni216  1  0.062021  0.328376  0.495316  1
  Ni  Ni217  1  0.584641  0.616381  0.525224  1
  Ni  Ni218  1  0.564086  0.329020  0.494864  1
  Ni  Ni219  1  0.543524  0.041689  0.464491  1
  Ni  Ni220  1  0.917974  0.283048  0.525224  1
  Ni  Ni221  1  0.897419  0.995686  0.494864  1
  Ni  Ni222  1  0.251308  0.949714  0.525224  1
  Ni  Ni223  1  0.876857  0.708355  0.464491  1
  Ni  Ni224  1  0.230753  0.662353  0.494864  1
  Ni  Ni225  1  0.210191  0.375022  0.464491  1
  Ni  Ni226  1  0.600700  0.867608  0.469406  1
  Ni  Ni227  1  0.641708  0.442367  0.530130  1
  Ni  Ni228  1  0.621153  0.154921  0.499760  1
  Ni  Ni229  1  0.934034  0.534275  0.469406  1
  Ni  Ni230  1  0.975041  0.109034  0.530130  1
  Ni  Ni231  1  0.267367  0.200942  0.469406  1
  Ni  Ni232  1  0.954486  0.821587  0.499760  1
  Ni  Ni233  1  0.308374  0.775700  0.530130  1
  Ni  Ni234  1  0.287820  0.488254  0.499760  1
  Ni  Ni235  1  0.631905  0.797616  0.515623  1
  Ni  Ni236  1  0.611356  0.510218  0.485274  1
  Ni  Ni237  1  0.590769  0.222798  0.454914  1
  Ni  Ni238  1  0.965238  0.464282  0.515623  1
  Ni  Ni239  1  0.944690  0.176885  0.485274  1
  Ni  Ni240  1  0.298572  0.130949  0.515623  1
  Ni  Ni241  1  0.924102  0.889464  0.454914  1
  Ni  Ni242  1  0.278023  0.843552  0.485274  1
  Ni  Ni243  1  0.257435  0.556131  0.454914  1
  Ni  Ni244  1  0.405151  0.639745  0.509802  1
  Ni  Ni245  1  0.384602  0.352348  0.479452  1
  Ni  Ni246  1  0.425738  0.927166  0.540162  1
  Ni  Ni247  1  0.738484  0.306412  0.509802  1
  Ni  Ni248  1  0.717935  0.019015  0.479452  1
  Ni  Ni249  1  0.071817  0.973079  0.509802  1
  Ni  Ni250  1  0.759072  0.593833  0.540162  1
  Ni  Ni251  1  0.051269  0.685681  0.479452  1
  Ni  Ni252  1  0.092405  0.260499  0.540162  1
  Ni  Ni253  1  0.514039  0.683178  0.591128  1
  Ni  Ni254  1  0.493480  0.395558  0.560865  1
  Ni  Ni255  1  0.534601  0.970692  0.621694  1
  Ni  Ni256  1  0.847372  0.349845  0.591128  1
  Ni  Ni257  1  0.826813  0.062225  0.560865  1
  Ni  Ni258  1  0.180705  0.016511  0.591128  1
  Ni  Ni259  1  0.867935  0.637359  0.621694  1
  Ni  Ni260  1  0.160147  0.728892  0.560865  1
  Ni  Ni261  1  0.201268  0.304025  0.621694  1
  Ni  Ni262  1  0.436373  0.569791  0.555910  1
  Ni  Ni263  1  0.477544  0.144927  0.617082  1
  Ni  Ni264  1  0.457067  0.857505  0.586273  1
  Ni  Ni265  1  0.769707  0.236457  0.555910  1
  Ni  Ni266  1  0.810878  0.811594  0.617082  1
  Ni  Ni267  1  0.103040  0.903124  0.555910  1
  Ni  Ni268  1  0.790400  0.524172  0.586273  1
  Ni  Ni269  1  0.144211  0.478261  0.617082  1
  Ni  Ni270  1  0.123733  0.190839  0.586273  1
  Ni  Ni271  1  0.646206  0.478832  0.616269  1
  Ni  Ni272  1  0.625392  0.191259  0.585766  1
  Ni  Ni273  1  0.605084  0.903764  0.555579  1
  Ni  Ni274  1  0.979539  0.145499  0.616269  1
  Ni  Ni275  1  0.958725  0.857926  0.585766  1
  Ni  Ni276  1  0.312873  0.812166  0.616269  1
  Ni  Ni277  1  0.938417  0.570431  0.555579  1
  Ni  Ni278  1  0.292059  0.524592  0.585766  1
  Ni  Ni279  1  0.271751  0.237097  0.555579  1
  Ni  Ni280  1  0.662231  0.729641  0.560448  1
  Ni  Ni281  1  0.702996  0.304137  0.621171  1
  Ni  Ni282  1  0.682545  0.016883  0.590734  1
  Ni  Ni283  1  0.995564  0.396308  0.560448  1
  Ni  Ni284  1  0.036330  0.970804  0.621171  1
  Ni  Ni285  1  0.328897  0.062974  0.560448  1
  Ni  Ni286  1  0.015878  0.683550  0.590734  1
  Ni  Ni287  1  0.369663  0.637470  0.621171  1
  Ni  Ni288  1  0.349212  0.350217  0.590734  1
  Ni  Ni289  1  0.693919  0.660065  0.606818  1
  Ni  Ni290  1  0.673040  0.372545  0.576253  1
  Ni  Ni291  1  0.652343  0.084921  0.545937  1
  Ni  Ni292  1  0.027253  0.326732  0.606818  1
  Ni  Ni293  1  0.006374  0.039212  0.576253  1
  Ni  Ni294  1  0.360586  0.993398  0.606818  1
  Ni  Ni295  1  0.985676  0.751588  0.545937  1
  Ni  Ni296  1  0.339707  0.705878  0.576253  1
  Ni  Ni297  1  0.319009  0.418254  0.545937  1
  Ni  Ni298  1  0.466421  0.501655  0.600640  1
  Ni  Ni299  1  0.446053  0.214455  0.570515  1
  Ni  Ni300  1  0.487080  0.789540  0.630991  1
  Ni  Ni301  1  0.799755  0.168322  0.600640  1
  Ni  Ni302  1  0.779386  0.881121  0.570515  1
  Ni  Ni303  1  0.133088  0.834989  0.600640  1
  Ni  Ni304  1  0.820414  0.456207  0.630991  1
  Ni  Ni305  1  0.112720  0.547788  0.570515  1
  Ni  Ni306  1  0.153747  0.122874  0.630991  1
  Ni  Ni307  1  0.576196  0.543682  0.682762  1
  Ni  Ni308  1  0.556165  0.256357  0.652960  1
  Ni  Ni309  1  0.592484  0.826067  0.711514  1
  Ni  Ni310  1  0.909529  0.210348  0.682762  1
  Ni  Ni311  1  0.889498  0.923024  0.652960  1
  Ni  Ni312  1  0.242862  0.877015  0.682762  1
  Ni  Ni313  1  0.925817  0.492734  0.711514  1
  Ni  Ni314  1  0.222832  0.589690  0.652960  1
  Ni  Ni315  1  0.259151  0.159400  0.711514  1
  Ni  Ni316  1  0.497549  0.431862  0.647494  1
  Ni  Ni317  1  0.543262  0.998452  0.705434  1
  Ni  Ni318  1  0.517588  0.715825  0.677051  1
  Ni  Ni319  1  0.830882  0.098528  0.647494  1
  Ni  Ni320  1  0.876596  0.665119  0.705434  1
  Ni  Ni321  1  0.164216  0.765195  0.647494  1
  Ni  Ni322  1  0.850921  0.382492  0.677051  1
  Ni  Ni323  1  0.209929  0.331785  0.705434  1
  Ni  Ni324  1  0.184254  0.049158  0.677051  1
  Ni  Ni325  1  0.704235  0.335826  0.706123  1
  Ni  Ni326  1  0.687993  0.052745  0.676869  1
  Ni  Ni327  1  0.667471  0.764156  0.647228  1
  Ni  Ni328  1  0.037568  0.002493  0.706123  1
  Ni  Ni329  1  0.021326  0.719412  0.676869  1
  Ni  Ni330  1  0.370901  0.669159  0.706123  1
  Ni  Ni331  1  1.000804  0.430823  0.647228  1
  Ni  Ni332  1  0.354659  0.386078  0.676869  1
  Ni  Ni333  1  0.334138  0.097489  0.647228  1
  Ni  Ni334  1  0.723485  0.592050  0.652115  1
  Ni  Ni335  1  0.767091  0.162608  0.710595  1
  Ni  Ni336  1  0.744224  0.879166  0.680909  1
  Ni  Ni337  1  0.056818  0.258717  0.652115  1
  Ni  Ni338  1  0.100424  0.829275  0.710595  1
  Ni  Ni339  1  0.390152  0.925384  0.652115  1
  Ni  Ni340  1  0.077558  0.545833  0.680909  1
  Ni  Ni341  1  0.433758  0.495942  0.710595  1
  Ni  Ni342  1  0.410891  0.212500  0.680909  1
  Ni  Ni343  1  0.751052  0.515987  0.697438  1
  Ni  Ni344  1  0.733098  0.232453  0.668256  1
  Ni  Ni345  1  0.714502  0.947162  0.636964  1
  Ni  Ni346  1  0.084385  0.182654  0.697438  1
  Ni  Ni347  1  0.066432  0.899120  0.668256  1
  Ni  Ni348  1  0.417718  0.849320  0.697438  1
  Ni  Ni349  1  0.047836  0.613829  0.636964  1
  Ni  Ni350  1  0.399765  0.565787  0.668256  1
  Ni  Ni351  1  0.381169  0.280495  0.636964  1
  Ni  Ni352  1  0.528401  0.362902  0.691493  1
  Ni  Ni353  1  0.507994  0.076193  0.661630  1
  Ni  Ni354  1  0.537869  0.648306  0.719801  1
  Ni  Ni355  1  0.861734  0.029569  0.691493  1
  Ni  Ni356  1  0.841327  0.742860  0.661630  1
  Ni  Ni357  1  0.195068  0.696236  0.691493  1
  Ni  Ni358  1  0.871203  0.314973  0.719801  1
  Ni  Ni359  1  0.174660  0.409526  0.661630  1
  Ni  Ni360  1  0.204536  0.981639  0.719801  1
