# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.80767848
_cell_length_b   15.52283958
_cell_length_c   46.49129521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.03940353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al216 Ni144'
_cell_volume   11152.4629352
_cell_formula_units_Z   72
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
  Al  Al1  1  0.370740  0.737365  0.312627  1
  Al  Al2  1  0.037406  0.737365  0.312627  1
  Al  Al3  1  0.990779  0.301995  0.296051  1
  Al  Al4  1  0.704073  0.737365  0.312627  1
  Al  Al5  1  0.657446  0.301995  0.296051  1
  Al  Al6  1  0.598262  0.845848  0.280398  1
  Al  Al7  1  0.324112  0.301995  0.296051  1
  Al  Al8  1  0.264929  0.845848  0.280398  1
  Al  Al9  1  0.931596  0.845848  0.280398  1
  Al  Al10  1  0.323322  0.528097  0.334459  1
  Al  Al11  1  0.989989  0.528097  0.334459  1
  Al  Al12  1  0.934412  0.074923  0.314920  1
  Al  Al13  1  0.656656  0.528097  0.334459  1
  Al  Al14  1  0.601078  0.074923  0.314920  1
  Al  Al15  1  0.533290  0.616698  0.297293  1
  Al  Al16  1  0.267745  0.074923  0.314920  1
  Al  Al17  1  0.199956  0.616698  0.297293  1
  Al  Al18  1  0.866623  0.616698  0.297293  1
  Al  Al19  1  0.158504  0.419416  0.316984  1
  Al  Al20  1  0.825171  0.419416  0.316984  1
  Al  Al21  1  0.764190  0.959375  0.300692  1
  Al  Al22  1  0.491837  0.419416  0.316984  1
  Al  Al23  1  0.430857  0.959375  0.300692  1
  Al  Al24  1  0.365927  0.511816  0.283195  1
  Al  Al25  1  0.097524  0.959375  0.300692  1
  Al  Al26  1  0.032594  0.511816  0.283195  1
  Al  Al27  1  0.699261  0.511816  0.283195  1
  Al  Al28  1  0.558759  0.109416  0.369987  1
  Al  Al29  1  0.225426  0.109416  0.369987  1
  Al  Al30  1  0.162158  0.652695  0.352563  1
  Al  Al31  1  0.892092  0.109416  0.369987  1
  Al  Al32  1  0.828825  0.652695  0.352563  1
  Al  Al33  1  0.772062  0.199603  0.335098  1
  Al  Al34  1  0.495492  0.652695  0.352563  1
  Al  Al35  1  0.438728  0.199603  0.335098  1
  Al  Al36  1  0.105395  0.199603  0.335098  1
  Al  Al37  1  0.506044  0.894153  0.388948  1
  Al  Al38  1  0.172711  0.894153  0.388948  1
  Al  Al39  1  0.112229  0.439413  0.370000  1
  Al  Al40  1  0.839378  0.894153  0.388948  1
  Al  Al41  1  0.778896  0.439413  0.370000  1
  Al  Al42  1  0.720044  0.986857  0.351653  1
  Al  Al43  1  0.445562  0.439413  0.370000  1
  Al  Al44  1  0.386711  0.986857  0.351653  1
  Al  Al45  1  0.053378  0.986857  0.351653  1
  Al  Al46  1  0.340532  0.785120  0.371859  1
  Al  Al47  1  0.007198  0.785120  0.371859  1
  Al  Al48  1  0.946566  0.328847  0.353192  1
  Al  Al49  1  0.673865  0.785120  0.371859  1
  Al  Al50  1  0.613233  0.328847  0.353192  1
  Al  Al51  1  0.552145  0.873636  0.336526  1
  Al  Al52  1  0.279900  0.328847  0.353192  1
  Al  Al53  1  0.218812  0.873636  0.336526  1
  Al  Al54  1  0.885478  0.873636  0.336526  1
  Al  Al55  1  0.742050  0.477086  0.427205  1
  Al  Al56  1  0.408717  0.477086  0.427205  1
  Al  Al57  1  0.348151  0.022186  0.408673  1
  Al  Al58  1  0.075384  0.477086  0.427205  1
  Al  Al59  1  0.014817  0.022186  0.408673  1
  Al  Al60  1  0.953676  0.567020  0.389801  1
  Al  Al61  1  0.681484  0.022186  0.408673  1
  Al  Al62  1  0.620343  0.567020  0.389801  1
  Al  Al63  1  0.287010  0.567020  0.389801  1
  Al  Al64  1  0.689304  0.259477  0.444788  1
  Al  Al65  1  0.355971  0.259477  0.444788  1
  Al  Al66  1  0.295143  0.804670  0.426193  1
  Al  Al67  1  0.022637  0.259477  0.444788  1
  Al  Al68  1  0.961810  0.804670  0.426193  1
  Al  Al69  1  0.900542  0.349191  0.407811  1
  Al  Al70  1  0.628477  0.804670  0.426193  1
  Al  Al71  1  0.567208  0.349191  0.407811  1
  Al  Al72  1  0.233875  0.349191  0.407811  1
  Al  Al73  1  0.522572  0.148848  0.427989  1
  Al  Al74  1  0.189239  0.148848  0.427989  1
  Al  Al75  1  0.127614  0.694340  0.408679  1
  Al  Al76  1  0.855905  0.148848  0.427989  1
  Al  Al77  1  0.794281  0.694340  0.408679  1
  Al  Al78  1  0.734673  0.240227  0.389906  1
  Al  Al79  1  0.460948  0.694340  0.408679  1
  Al  Al80  1  0.401339  0.240227  0.389906  1
  Al  Al81  1  0.068006  0.240227  0.389906  1
  Al  Al82  1  0.923674  0.840958  0.482918  1
  Al  Al83  1  0.590340  0.840958  0.482918  1
  Al  Al84  1  0.530034  0.386763  0.464283  1
  Al  Al85  1  0.257007  0.840958  0.482918  1
  Al  Al86  1  0.196701  0.386763  0.464283  1
  Al  Al87  1  0.136121  0.931880  0.445541  1
  Al  Al88  1  0.863368  0.386763  0.464283  1
  Al  Al89  1  0.802788  0.931880  0.445541  1
  Al  Al90  1  0.469454  0.931880  0.445541  1
  Al  Al91  1  0.871238  0.624110  0.500814  1
  Al  Al92  1  0.537905  0.624110  0.500814  1
  Al  Al93  1  0.477050  0.169294  0.482179  1
  Al  Al94  1  0.204571  0.624110  0.500814  1
  Al  Al95  1  0.143717  0.169294  0.482179  1
  Al  Al96  1  0.083116  0.714057  0.463636  1
  Al  Al97  1  0.810383  0.169294  0.482179  1
  Al  Al98  1  0.749783  0.714057  0.463636  1
  Al  Al99  1  0.416449  0.714057  0.463636  1
  Al  Al100  1  0.704053  0.513718  0.483716  1
  Al  Al101  1  0.370720  0.513718  0.483716  1
  Al  Al102  1  0.309922  0.058742  0.464828  1
  Al  Al103  1  0.037387  0.513718  0.483716  1
  Al  Al104  1  0.976588  0.058742  0.464828  1
  Al  Al105  1  0.915989  0.603905  0.446340  1
  Al  Al106  1  0.643255  0.058742  0.464828  1
  Al  Al107  1  0.582655  0.603905  0.446340  1
  Al  Al108  1  0.249322  0.603905  0.446340  1
  Al  Al109  1  0.105878  0.206068  0.538773  1
  Al  Al110  1  0.772545  0.206068  0.538773  1
  Al  Al111  1  0.712181  0.751430  0.520253  1
  Al  Al112  1  0.439212  0.206068  0.538773  1
  Al  Al113  1  0.378848  0.751430  0.520253  1
  Al  Al114  1  0.318034  0.296528  0.501545  1
  Al  Al115  1  0.045514  0.751430  0.520253  1
  Al  Al116  1  0.984700  0.296528  0.501545  1
  Al  Al117  1  0.651367  0.296528  0.501545  1
  Al  Al118  1  0.053008  0.988599  0.556628  1
  Al  Al119  1  0.719675  0.988599  0.556628  1
  Al  Al120  1  0.659451  0.533705  0.538445  1
  Al  Al121  1  0.386341  0.988599  0.556628  1
  Al  Al122  1  0.326118  0.533705  0.538445  1
  Al  Al123  1  0.265153  0.079124  0.519285  1
  Al  Al124  1  0.992784  0.533705  0.538445  1
  Al  Al125  1  0.931820  0.079124  0.519285  1
  Al  Al126  1  0.598486  0.079124  0.519285  1
  Al  Al127  1  0.886076  0.878476  0.539436  1
  Al  Al128  1  0.552742  0.878476  0.539436  1
  Al  Al129  1  0.492218  0.423507  0.520888  1
  Al  Al130  1  0.219409  0.878476  0.539436  1
  Al  Al131  1  0.158884  0.423507  0.520888  1
  Al  Al132  1  0.097893  0.968284  0.502325  1
  Al  Al133  1  0.825551  0.423507  0.520888  1
  Al  Al134  1  0.764560  0.968284  0.502325  1
  Al  Al135  1  0.431227  0.968284  0.502325  1
  Al  Al136  1  0.288239  0.570969  0.594488  1
  Al  Al137  1  0.954906  0.570969  0.594488  1
  Al  Al138  1  0.893124  0.114630  0.575571  1
  Al  Al139  1  0.621572  0.570969  0.594488  1
  Al  Al140  1  0.559791  0.114630  0.575571  1
  Al  Al141  1  0.499841  0.660568  0.557740  1
  Al  Al142  1  0.226458  0.114630  0.575571  1
  Al  Al143  1  0.166507  0.660568  0.557740  1
  Al  Al144  1  0.833174  0.660568  0.557740  1
  Al  Al145  1  0.234242  0.352201  0.613149  1
  Al  Al146  1  0.900908  0.352201  0.613149  1
  Al  Al147  1  0.841678  0.897702  0.594447  1
  Al  Al148  1  0.567575  0.352201  0.613149  1
  Al  Al149  1  0.508345  0.897702  0.594447  1
  Al  Al150  1  0.446830  0.443976  0.575243  1
  Al  Al151  1  0.175012  0.897702  0.594447  1
  Al  Al152  1  0.113497  0.443976  0.575243  1
  Al  Al153  1  0.780164  0.443976  0.575243  1
  Al  Al154  1  0.068885  0.243673  0.595185  1
  Al  Al155  1  0.735552  0.243673  0.595185  1
  Al  Al156  1  0.673736  0.787529  0.577103  1
  Al  Al157  1  0.402219  0.243673  0.595185  1
  Al  Al158  1  0.340402  0.787529  0.577103  1
  Al  Al159  1  0.280012  0.333223  0.558359  1
  Al  Al160  1  0.007069  0.787529  0.577103  1
  Al  Al161  1  0.946679  0.333223  0.558359  1
  Al  Al162  1  0.613345  0.333223  0.558359  1
  Al  Al163  1  0.471693  0.935331  0.649316  1
  Al  Al164  1  0.138359  0.935331  0.649316  1
  Al  Al165  1  0.078962  0.486028  0.633977  1
  Al  Al166  1  0.805026  0.935331  0.649316  1
  Al  Al167  1  0.745629  0.486028  0.633977  1
  Al  Al168  1  0.681534  0.024794  0.613025  1
  Al  Al169  1  0.412296  0.486028  0.633977  1
  Al  Al170  1  0.348200  0.024794  0.613025  1
  Al  Al171  1  0.014867  0.024794  0.613025  1
  Al  Al172  1  0.416977  0.719579  0.665559  1
  Al  Al173  1  0.083644  0.719579  0.665559  1
  Al  Al174  1  0.023332  0.265288  0.649220  1
  Al  Al175  1  0.750310  0.719579  0.665559  1
  Al  Al176  1  0.689999  0.265288  0.649220  1
  Al  Al177  1  0.628700  0.804915  0.632645  1
  Al  Al178  1  0.356665  0.265288  0.649220  1
  Al  Al179  1  0.295367  0.804915  0.632645  1
  Al  Al180  1  0.962033  0.804915  0.632645  1
  Al  Al181  1  0.249776  0.606351  0.651846  1
  Al  Al182  1  0.916443  0.606351  0.651846  1
  Al  Al183  1  0.857029  0.152443  0.633067  1
  Al  Al184  1  0.583109  0.606351  0.651846  1
  Al  Al185  1  0.523696  0.152443  0.633067  1
  Al  Al186  1  0.463906  0.698931  0.614323  1
  Al  Al187  1  0.190363  0.152443  0.633067  1
  Al  Al188  1  0.130573  0.698931  0.614323  1
  Al  Al189  1  0.797239  0.698931  0.614323  1
  Al  Al190  1  0.631739  0.266305  0.704826  1
  Al  Al191  1  0.298406  0.266305  0.704826  1
  Al  Al192  1  0.271277  0.866195  0.692436  1
  Al  Al193  1  0.965072  0.266305  0.704826  1
  Al  Al194  1  0.937943  0.866195  0.692436  1
  Al  Al195  1  0.863945  0.395156  0.668329  1
  Al  Al196  1  0.604610  0.866195  0.692436  1
  Al  Al197  1  0.530612  0.395156  0.668329  1
  Al  Al198  1  0.197279  0.395156  0.668329  1
  Al  Al199  1  0.618408  0.071477  0.721433  1
  Al  Al200  1  0.285075  0.071477  0.721433  1
  Al  Al201  1  0.203024  0.637408  0.700112  1
  Al  Al202  1  0.951742  0.071477  0.721433  1
  Al  Al203  1  0.869691  0.637408  0.700112  1
  Al  Al204  1  0.805264  0.173298  0.683925  1
  Al  Al205  1  0.536358  0.637408  0.700112  1
  Al  Al206  1  0.471930  0.173298  0.683925  1
  Al  Al207  1  0.138597  0.173298  0.683925  1
  Al  Al208  1  0.455475  0.999368  0.702968  1
  Al  Al209  1  0.122142  0.999368  0.702968  1
  Al  Al210  1  0.033518  0.516816  0.688372  1
  Al  Al211  1  0.788809  0.999368  0.702968  1
  Al  Al212  1  0.700185  0.516816  0.688372  1
  Al  Al213  1  0.643700  0.065836  0.667863  1
  Al  Al214  1  0.366851  0.516816  0.688372  1
  Al  Al215  1  0.310366  0.065836  0.667863  1
  Al  Al216  1  0.977033  0.065836  0.667863  1
  Ni  Ni217  1  0.230253  0.343001  0.305960  1
  Ni  Ni218  1  0.896920  0.343001  0.305960  1
  Ni  Ni219  1  0.840096  0.888825  0.289175  1
  Ni  Ni220  1  0.563586  0.343001  0.305960  1
  Ni  Ni221  1  0.506763  0.888825  0.289175  1
  Ni  Ni222  1  0.625663  0.799858  0.325714  1
  Ni  Ni223  1  0.173429  0.888825  0.289175  1
  Ni  Ni224  1  0.292330  0.799858  0.325714  1
  Ni  Ni225  1  0.958997  0.799858  0.325714  1
  Ni  Ni226  1  0.071520  0.235352  0.289983  1
  Ni  Ni227  1  0.738187  0.235352  0.289983  1
  Ni  Ni228  1  0.858928  0.149536  0.324435  1
  Ni  Ni229  1  0.404853  0.235352  0.289983  1
  Ni  Ni230  1  0.525595  0.149536  0.324435  1
  Ni  Ni231  1  0.464361  0.696430  0.307878  1
  Ni  Ni232  1  0.192262  0.149536  0.324435  1
  Ni  Ni233  1  0.131027  0.696430  0.307878  1
  Ni  Ni234  1  0.797694  0.696430  0.307878  1
  Ni  Ni235  1  0.414009  0.713064  0.360219  1
  Ni  Ni236  1  0.080675  0.713064  0.360219  1
  Ni  Ni237  1  0.021622  0.257598  0.342018  1
  Ni  Ni238  1  0.747342  0.713064  0.360219  1
  Ni  Ni239  1  0.688289  0.257598  0.342018  1
  Ni  Ni240  1  0.810789  0.167626  0.380230  1
  Ni  Ni241  1  0.354956  0.257598  0.342018  1
  Ni  Ni242  1  0.477456  0.167626  0.380230  1
  Ni  Ni243  1  0.144122  0.167626  0.380230  1
  Ni  Ni244  1  0.248792  0.601829  0.344683  1
  Ni  Ni245  1  0.915459  0.601829  0.344683  1
  Ni  Ni246  1  0.036052  0.509351  0.381720  1
  Ni  Ni247  1  0.582125  0.601829  0.344683  1
  Ni  Ni248  1  0.702719  0.509351  0.381720  1
  Ni  Ni249  1  0.643505  0.056004  0.363317  1
  Ni  Ni250  1  0.369386  0.509351  0.381720  1
  Ni  Ni251  1  0.310172  0.056004  0.363317  1
  Ni  Ni252  1  0.976838  0.056004  0.363317  1
  Ni  Ni253  1  0.597949  0.078156  0.416403  1
  Ni  Ni254  1  0.264615  0.078156  0.416403  1
  Ni  Ni255  1  0.203318  0.622557  0.398206  1
  Ni  Ni256  1  0.931282  0.078156  0.416403  1
  Ni  Ni257  1  0.869985  0.622557  0.398206  1
  Ni  Ni258  1  0.991827  0.532731  0.435473  1
  Ni  Ni259  1  0.536651  0.622557  0.398206  1
  Ni  Ni260  1  0.658494  0.532731  0.435473  1
  Ni  Ni261  1  0.325160  0.532731  0.435473  1
  Ni  Ni262  1  0.431712  0.966973  0.399863  1
  Ni  Ni263  1  0.098379  0.966973  0.399863  1
  Ni  Ni264  1  0.219019  0.875303  0.437091  1
  Ni  Ni265  1  0.765045  0.966973  0.399863  1
  Ni  Ni266  1  0.885685  0.875303  0.437091  1
  Ni  Ni267  1  0.825098  0.420895  0.418425  1
  Ni  Ni268  1  0.552352  0.875303  0.437091  1
  Ni  Ni269  1  0.491765  0.420895  0.418425  1
  Ni  Ni270  1  0.158432  0.420895  0.418425  1
  Ni  Ni271  1  0.779799  0.442289  0.472782  1
  Ni  Ni272  1  0.446466  0.442289  0.472782  1
  Ni  Ni273  1  0.385744  0.987205  0.454262  1
  Ni  Ni274  1  0.113132  0.442289  0.472782  1
  Ni  Ni275  1  0.052411  0.987205  0.454262  1
  Ni  Ni276  1  0.173803  0.897284  0.491293  1
  Ni  Ni277  1  0.719077  0.987205  0.454262  1
  Ni  Ni278  1  0.840470  0.897284  0.491293  1
  Ni  Ni279  1  0.507136  0.897284  0.491293  1
  Ni  Ni280  1  0.613456  0.330821  0.455892  1
  Ni  Ni281  1  0.280123  0.330821  0.455892  1
  Ni  Ni282  1  0.401373  0.240553  0.492988  1
  Ni  Ni283  1  0.946790  0.330821  0.455892  1
  Ni  Ni284  1  0.068039  0.240553  0.492988  1
  Ni  Ni285  1  0.007534  0.785669  0.474392  1
  Ni  Ni286  1  0.734706  0.240553  0.492988  1
  Ni  Ni287  1  0.674201  0.785669  0.474392  1
  Ni  Ni288  1  0.340868  0.785669  0.474392  1
  Ni  Ni289  1  0.961568  0.806557  0.528770  1
  Ni  Ni290  1  0.628235  0.806557  0.528770  1
  Ni  Ni291  1  0.567943  0.352335  0.510104  1
  Ni  Ni292  1  0.294901  0.806557  0.528770  1
  Ni  Ni293  1  0.234609  0.352335  0.510104  1
  Ni  Ni294  1  0.355786  0.261999  0.547186  1
  Ni  Ni295  1  0.901276  0.352335  0.510104  1
  Ni  Ni296  1  0.022453  0.261999  0.547186  1
  Ni  Ni297  1  0.689119  0.261999  0.547186  1
  Ni  Ni298  1  0.795372  0.695056  0.511896  1
  Ni  Ni299  1  0.462039  0.695056  0.511896  1
  Ni  Ni300  1  0.583520  0.605242  0.548882  1
  Ni  Ni301  1  0.128706  0.695056  0.511896  1
  Ni  Ni302  1  0.250187  0.605242  0.548882  1
  Ni  Ni303  1  0.189364  0.150583  0.530193  1
  Ni  Ni304  1  0.916854  0.605242  0.548882  1
  Ni  Ni305  1  0.856031  0.150583  0.530193  1
  Ni  Ni306  1  0.522698  0.150583  0.530193  1
  Ni  Ni307  1  0.143953  0.171552  0.584593  1
  Ni  Ni308  1  0.810620  0.171552  0.584593  1
  Ni  Ni309  1  0.750378  0.717316  0.566089  1
  Ni  Ni310  1  0.477287  0.171552  0.584593  1
  Ni  Ni311  1  0.417045  0.717316  0.566089  1
  Ni  Ni312  1  0.537963  0.625812  0.603529  1
  Ni  Ni313  1  0.083711  0.717316  0.566089  1
  Ni  Ni314  1  0.204630  0.625812  0.603529  1
  Ni  Ni315  1  0.871297  0.625812  0.603529  1
  Ni  Ni316  1  0.977249  0.059997  0.567478  1
  Ni  Ni317  1  0.643916  0.059997  0.567478  1
  Ni  Ni318  1  0.765039  0.969268  0.604705  1
  Ni  Ni319  1  0.310583  0.059997  0.567478  1
  Ni  Ni320  1  0.431706  0.969268  0.604705  1
  Ni  Ni321  1  0.371596  0.514344  0.587042  1
  Ni  Ni322  1  0.098372  0.969268  0.604705  1
  Ni  Ni323  1  0.038262  0.514344  0.587042  1
  Ni  Ni324  1  0.704929  0.514344  0.587042  1
  Ni  Ni325  1  0.325223  0.535881  0.639671  1
  Ni  Ni326  1  0.991890  0.535881  0.639671  1
  Ni  Ni327  1  0.932698  0.083273  0.620915  1
  Ni  Ni328  1  0.658557  0.535881  0.639671  1
  Ni  Ni329  1  0.599364  0.083273  0.620915  1
  Ni  Ni330  1  0.719988  0.990274  0.657826  1
  Ni  Ni331  1  0.266031  0.083273  0.620915  1
  Ni  Ni332  1  0.386655  0.990274  0.657826  1
  Ni  Ni333  1  0.053321  0.990274  0.657826  1
  Ni  Ni334  1  0.158996  0.426042  0.622920  1
  Ni  Ni335  1  0.825663  0.426042  0.622920  1
  Ni  Ni336  1  0.947157  0.335751  0.660757  1
  Ni  Ni337  1  0.492329  0.426042  0.622920  1
  Ni  Ni338  1  0.613824  0.335751  0.660757  1
  Ni  Ni339  1  0.556859  0.879263  0.643311  1
  Ni  Ni340  1  0.280490  0.335751  0.660757  1
  Ni  Ni341  1  0.223525  0.879263  0.643311  1
  Ni  Ni342  1  0.890192  0.879263  0.643311  1
  Ni  Ni343  1  0.504720  0.896326  0.694615  1
  Ni  Ni344  1  0.171386  0.896326  0.694615  1
  Ni  Ni345  1  0.106506  0.439409  0.679838  1
  Ni  Ni346  1  0.838053  0.896326  0.694615  1
  Ni  Ni347  1  0.773173  0.439409  0.679838  1
  Ni  Ni348  1  0.897134  0.351326  0.712537  1
  Ni  Ni349  1  0.439840  0.439409  0.679838  1
  Ni  Ni350  1  0.563801  0.351326  0.712537  1
  Ni  Ni351  1  0.230468  0.351326  0.712537  1
  Ni  Ni352  1  0.347347  0.797371  0.680064  1
  Ni  Ni353  1  0.014014  0.797371  0.680064  1
  Ni  Ni354  1  0.126572  0.707966  0.712895  1
  Ni  Ni355  1  0.680681  0.797371  0.680064  1
  Ni  Ni356  1  0.793239  0.707966  0.712895  1
  Ni  Ni357  1  0.739062  0.251225  0.697064  1
  Ni  Ni358  1  0.459905  0.707966  0.712895  1
  Ni  Ni359  1  0.405729  0.251225  0.697064  1
  Ni  Ni360  1  0.072395  0.251225  0.697064  1
