# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.60405124
_cell_length_b   15.37679879
_cell_length_c   46.09967535
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.02344311
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al216 Ni144'
_cell_volume   10850.0018962
_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  0.307883  0.609691  0.290576  1
  Al  Al2  1  0.974550  0.609691  0.290576  1
  Al  Al3  1  0.049383  0.427581  0.318062  1
  Al  Al4  1  0.641216  0.609691  0.290576  1
  Al  Al5  1  0.716050  0.427581  0.318062  1
  Al  Al6  1  0.708831  0.070099  0.305833  1
  Al  Al7  1  0.382717  0.427581  0.318062  1
  Al  Al8  1  0.375498  0.070099  0.305833  1
  Al  Al9  1  0.042165  0.070099  0.305833  1
  Al  Al10  1  0.207951  0.318721  0.303336  1
  Al  Al11  1  0.874618  0.318721  0.303336  1
  Al  Al12  1  0.797976  0.844878  0.288651  1
  Al  Al13  1  0.541284  0.318721  0.303336  1
  Al  Al14  1  0.464642  0.844878  0.288651  1
  Al  Al15  1  0.636171  0.793318  0.315380  1
  Al  Al16  1  0.131309  0.844878  0.288651  1
  Al  Al17  1  0.302838  0.793318  0.315380  1
  Al  Al18  1  0.969505  0.793318  0.315380  1
  Al  Al19  1  0.039183  0.247752  0.283410  1
  Al  Al20  1  0.705850  0.247752  0.283410  1
  Al  Al21  1  0.864601  0.146572  0.324973  1
  Al  Al22  1  0.372517  0.247752  0.283410  1
  Al  Al23  1  0.531268  0.146572  0.324973  1
  Al  Al24  1  0.462805  0.671016  0.312213  1
  Al  Al25  1  0.197934  0.146572  0.324973  1
  Al  Al26  1  0.129471  0.671016  0.312213  1
  Al  Al27  1  0.796138  0.671016  0.312213  1
  Al  Al28  1  0.468675  0.927494  0.342150  1
  Al  Al29  1  0.135342  0.927494  0.342150  1
  Al  Al30  1  0.237965  0.807046  0.372032  1
  Al  Al31  1  0.802008  0.927494  0.342150  1
  Al  Al32  1  0.904631  0.807046  0.372032  1
  Al  Al33  1  0.860409  0.384697  0.361380  1
  Al  Al34  1  0.571298  0.807046  0.372032  1
  Al  Al35  1  0.527075  0.384697  0.361380  1
  Al  Al36  1  0.193742  0.384697  0.361380  1
  Al  Al37  1  0.401470  0.701123  0.355977  1
  Al  Al38  1  0.068137  0.701123  0.355977  1
  Al  Al39  1  0.024450  0.240469  0.340543  1
  Al  Al40  1  0.734804  0.701123  0.355977  1
  Al  Al41  1  0.691116  0.240469  0.340543  1
  Al  Al42  1  0.800818  0.154505  0.375830  1
  Al  Al43  1  0.357783  0.240469  0.340543  1
  Al  Al44  1  0.467485  0.154505  0.375830  1
  Al  Al45  1  0.134151  0.154505  0.375830  1
  Al  Al46  1  0.229540  0.592011  0.341715  1
  Al  Al47  1  0.896207  0.592011  0.341715  1
  Al  Al48  1  0.035508  0.507443  0.376477  1
  Al  Al49  1  0.562873  0.592011  0.341715  1
  Al  Al50  1  0.702174  0.507443  0.376477  1
  Al  Al51  1  0.634935  0.039074  0.361314  1
  Al  Al52  1  0.368841  0.507443  0.376477  1
  Al  Al53  1  0.301602  0.039074  0.361314  1
  Al  Al54  1  0.968269  0.039074  0.361314  1
  Al  Al55  1  0.642111  0.278144  0.395761  1
  Al  Al56  1  0.308777  0.278144  0.395761  1
  Al  Al57  1  0.432892  0.193763  0.433596  1
  Al  Al58  1  0.975444  0.278144  0.395761  1
  Al  Al59  1  0.099559  0.193763  0.433596  1
  Al  Al60  1  0.036893  0.738842  0.414378  1
  Al  Al61  1  0.766225  0.193763  0.433596  1
  Al  Al62  1  0.703560  0.738842  0.414378  1
  Al  Al63  1  0.370227  0.738842  0.414378  1
  Al  Al64  1  0.588654  0.062546  0.413692  1
  Al  Al65  1  0.255320  0.062546  0.413692  1
  Al  Al66  1  0.195448  0.606650  0.395942  1
  Al  Al67  1  0.921987  0.062546  0.413692  1
  Al  Al68  1  0.862115  0.606650  0.395942  1
  Al  Al69  1  0.984659  0.519864  0.431383  1
  Al  Al70  1  0.528782  0.606650  0.395942  1
  Al  Al71  1  0.651326  0.519864  0.431383  1
  Al  Al72  1  0.317992  0.519864  0.431383  1
  Al  Al73  1  0.422624  0.955530  0.396142  1
  Al  Al74  1  0.089291  0.955530  0.396142  1
  Al  Al75  1  0.212347  0.864711  0.433413  1
  Al  Al76  1  0.755957  0.955530  0.396142  1
  Al  Al77  1  0.879014  0.864711  0.433413  1
  Al  Al78  1  0.817268  0.408738  0.415899  1
  Al  Al79  1  0.545680  0.864711  0.433413  1
  Al  Al80  1  0.483934  0.408738  0.415899  1
  Al  Al81  1  0.150601  0.408738  0.415899  1
  Al  Al82  1  0.826076  0.648451  0.450980  1
  Al  Al83  1  0.492742  0.648451  0.450980  1
  Al  Al84  1  0.614192  0.558091  0.488381  1
  Al  Al85  1  0.159409  0.648451  0.450980  1
  Al  Al86  1  0.280858  0.558091  0.488381  1
  Al  Al87  1  0.218730  0.100460  0.469911  1
  Al  Al88  1  0.947525  0.558091  0.488381  1
  Al  Al89  1  0.885397  0.100460  0.469911  1
  Al  Al90  1  0.552063  0.100460  0.469911  1
  Al  Al91  1  0.772013  0.429138  0.468940  1
  Al  Al92  1  0.438680  0.429138  0.468940  1
  Al  Al93  1  0.377790  0.973669  0.450158  1
  Al  Al94  1  0.105346  0.429138  0.468940  1
  Al  Al95  1  0.044456  0.973669  0.450158  1
  Al  Al96  1  0.165560  0.883207  0.487392  1
  Al  Al97  1  0.711123  0.973669  0.450158  1
  Al  Al98  1  0.832227  0.883207  0.487392  1
  Al  Al99  1  0.498894  0.883207  0.487392  1
  Al  Al100  1  0.606494  0.319424  0.452357  1
  Al  Al101  1  0.273161  0.319424  0.452357  1
  Al  Al102  1  0.393698  0.228682  0.489496  1
  Al  Al103  1  0.939828  0.319424  0.452357  1
  Al  Al104  1  0.060364  0.228682  0.489496  1
  Al  Al105  1  0.999500  0.775424  0.470179  1
  Al  Al106  1  0.727031  0.228682  0.489496  1
  Al  Al107  1  0.666166  0.775424  0.470179  1
  Al  Al108  1  0.332833  0.775424  0.470179  1
  Al  Al109  1  0.006568  0.009939  0.506666  1
  Al  Al110  1  0.673235  0.009939  0.506666  1
  Al  Al111  1  0.794684  0.919580  0.544066  1
  Al  Al112  1  0.339902  0.009939  0.506666  1
  Al  Al113  1  0.461351  0.919580  0.544066  1
  Al  Al114  1  0.402030  0.467571  0.525135  1
  Al  Al115  1  0.128017  0.919580  0.544066  1
  Al  Al116  1  0.068697  0.467571  0.525135  1
  Al  Al117  1  0.735363  0.467571  0.525135  1
  Al  Al118  1  0.954593  0.792606  0.524867  1
  Al  Al119  1  0.621260  0.792606  0.524867  1
  Al  Al120  1  0.560396  0.339348  0.505550  1
  Al  Al121  1  0.287927  0.792606  0.524867  1
  Al  Al122  1  0.227062  0.339348  0.505550  1
  Al  Al123  1  0.347599  0.248606  0.542689  1
  Al  Al124  1  0.893729  0.339348  0.505550  1
  Al  Al125  1  0.014266  0.248606  0.542689  1
  Al  Al126  1  0.680932  0.248606  0.542689  1
  Al  Al127  1  0.788533  0.684824  0.507654  1
  Al  Al128  1  0.455200  0.684824  0.507654  1
  Al  Al129  1  0.576304  0.594361  0.544888  1
  Al  Al130  1  0.121866  0.684824  0.507654  1
  Al  Al131  1  0.242970  0.594361  0.544888  1
  Al  Al132  1  0.182080  0.138893  0.526106  1
  Al  Al133  1  0.909637  0.594361  0.544888  1
  Al  Al134  1  0.848747  0.138893  0.526106  1
  Al  Al135  1  0.515414  0.138893  0.526106  1
  Al  Al136  1  0.187868  0.374268  0.561450  1
  Al  Al137  1  0.854535  0.374268  0.561450  1
  Al  Al138  1  0.978649  0.289887  0.599285  1
  Al  Al139  1  0.521201  0.374268  0.561450  1
  Al  Al140  1  0.645316  0.289887  0.599285  1
  Al  Al141  1  0.583867  0.829189  0.580668  1
  Al  Al142  1  0.311983  0.289887  0.599285  1
  Al  Al143  1  0.250533  0.829189  0.580668  1
  Al  Al144  1  0.917200  0.829189  0.580668  1
  Al  Al145  1  0.136825  0.159292  0.579148  1
  Al  Al146  1  0.803492  0.159292  0.579148  1
  Al  Al147  1  0.741746  0.703320  0.561633  1
  Al  Al148  1  0.470159  0.159292  0.579148  1
  Al  Al149  1  0.408413  0.703320  0.561633  1
  Al  Al150  1  0.531469  0.612501  0.598904  1
  Al  Al151  1  0.075080  0.703320  0.561633  1
  Al  Al152  1  0.198136  0.612501  0.598904  1
  Al  Al153  1  0.864803  0.612501  0.598904  1
  Al  Al154  1  0.969434  0.048166  0.563663  1
  Al  Al155  1  0.636101  0.048166  0.563663  1
  Al  Al156  1  0.758645  0.961380  0.599104  1
  Al  Al157  1  0.302768  0.048166  0.563663  1
  Al  Al158  1  0.425311  0.961380  0.599104  1
  Al  Al159  1  0.365440  0.505485  0.581354  1
  Al  Al160  1  0.091978  0.961380  0.599104  1
  Al  Al161  1  0.032106  0.505485  0.581354  1
  Al  Al162  1  0.698773  0.505485  0.581354  1
  Al  Al163  1  0.382795  0.760984  0.623014  1
  Al  Al164  1  0.049462  0.760984  0.623014  1
  Al  Al165  1  0.152085  0.640537  0.652897  1
  Al  Al166  1  0.716128  0.760984  0.623014  1
  Al  Al167  1  0.818752  0.640537  0.652897  1
  Al  Al168  1  0.760351  0.183334  0.633666  1
  Al  Al169  1  0.485418  0.640537  0.652897  1
  Al  Al170  1  0.427018  0.183334  0.633666  1
  Al  Al171  1  0.093685  0.183334  0.633666  1
  Al  Al172  1  0.319158  0.528957  0.633732  1
  Al  Al173  1  0.985824  0.528957  0.633732  1
  Al  Al174  1  0.918586  0.060588  0.618569  1
  Al  Al175  1  0.652491  0.528957  0.633732  1
  Al  Al176  1  0.585252  0.060588  0.618569  1
  Al  Al177  1  0.724553  0.976019  0.653331  1
  Al  Al178  1  0.251919  0.060588  0.618569  1
  Al  Al179  1  0.391220  0.976019  0.653331  1
  Al  Al180  1  0.057887  0.976019  0.653331  1
  Al  Al181  1  0.153275  0.413525  0.619216  1
  Al  Al182  1  0.819942  0.413525  0.619216  1
  Al  Al183  1  0.929644  0.327562  0.654503  1
  Al  Al184  1  0.486608  0.413525  0.619216  1
  Al  Al185  1  0.596310  0.327562  0.654503  1
  Al  Al186  1  0.552623  0.866907  0.639069  1
  Al  Al187  1  0.262977  0.327562  0.654503  1
  Al  Al188  1  0.219290  0.866907  0.639069  1
  Al  Al189  1  0.885956  0.866907  0.639069  1
  Al  Al190  1  0.571377  0.140449  0.676984  1
  Al  Al191  1  0.238043  0.140449  0.676984  1
  Al  Al192  1  0.312877  0.958340  0.704470  1
  Al  Al193  1  0.904710  0.140449  0.676984  1
  Al  Al194  1  0.979543  0.958340  0.704470  1
  Al  Al195  1  0.911929  0.497932  0.689213  1
  Al  Al196  1  0.646210  0.958340  0.704470  1
  Al  Al197  1  0.578595  0.497932  0.689213  1
  Al  Al198  1  0.245262  0.497932  0.689213  1
  Al  Al199  1  0.491289  0.897014  0.682833  1
  Al  Al200  1  0.157955  0.897014  0.682833  1
  Al  Al201  1  0.089492  0.421459  0.670073  1
  Al  Al202  1  0.824622  0.897014  0.682833  1
  Al  Al203  1  0.756159  0.421459  0.670073  1
  Al  Al204  1  0.914910  0.320279  0.711636  1
  Al  Al205  1  0.422826  0.421459  0.670073  1
  Al  Al206  1  0.581577  0.320279  0.711636  1
  Al  Al207  1  0.248243  0.320279  0.711636  1
  Al  Al208  1  0.317922  0.774713  0.679666  1
  Al  Al209  1  0.984589  0.774713  0.679666  1
  Al  Al210  1  0.156118  0.723153  0.706395  1
  Al  Al211  1  0.651255  0.774713  0.679666  1
  Al  Al212  1  0.822784  0.723153  0.706395  1
  Al  Al213  1  0.746142  0.249310  0.691710  1
  Al  Al214  1  0.489451  0.723153  0.706395  1
  Al  Al215  1  0.412809  0.249310  0.691710  1
  Al  Al216  1  0.079476  0.249310  0.691710  1
  Ni  Ni217  1  0.313413  0.511613  0.330238  1
  Ni  Ni218  1  0.980079  0.511613  0.330238  1
  Ni  Ni219  1  0.921023  0.056822  0.309716  1
  Ni  Ni220  1  0.646746  0.511613  0.330238  1
  Ni  Ni221  1  0.587689  0.056822  0.309716  1
  Ni  Ni222  1  0.513813  0.587057  0.290390  1
  Ni  Ni223  1  0.254356  0.056822  0.309716  1
  Ni  Ni224  1  0.180480  0.587057  0.290390  1
  Ni  Ni225  1  0.847147  0.587057  0.290390  1
  Ni  Ni226  1  0.159497  0.418502  0.313774  1
  Ni  Ni227  1  0.826164  0.418502  0.313774  1
  Ni  Ni228  1  0.767515  0.974380  0.295217  1
  Ni  Ni229  1  0.492831  0.418502  0.313774  1
  Ni  Ni230  1  0.434182  0.974380  0.295217  1
  Ni  Ni231  1  0.353679  0.499025  0.278922  1
  Ni  Ni232  1  0.100848  0.974380  0.295217  1
  Ni  Ni233  1  0.020346  0.499025  0.278922  1
  Ni  Ni234  1  0.687012  0.499025  0.278922  1
  Ni  Ni235  1  0.498948  0.879407  0.386000  1
  Ni  Ni236  1  0.165615  0.879407  0.386000  1
  Ni  Ni237  1  0.101104  0.424535  0.367124  1
  Ni  Ni238  1  0.832282  0.879407  0.386000  1
  Ni  Ni239  1  0.767771  0.424535  0.367124  1
  Ni  Ni240  1  0.710937  0.971092  0.347527  1
  Ni  Ni241  1  0.434438  0.424535  0.367124  1
  Ni  Ni242  1  0.377604  0.971092  0.347527  1
  Ni  Ni243  1  0.044271  0.971092  0.347527  1
  Ni  Ni244  1  0.333874  0.774780  0.368476  1
  Ni  Ni245  1  1.000541  0.774780  0.368476  1
  Ni  Ni246  1  0.938185  0.319199  0.352451  1
  Ni  Ni247  1  0.667208  0.774780  0.368476  1
  Ni  Ni248  1  0.604851  0.319199  0.352451  1
  Ni  Ni249  1  0.557618  0.874649  0.328110  1
  Ni  Ni250  1  0.271518  0.319199  0.352451  1
  Ni  Ni251  1  0.224285  0.874649  0.328110  1
  Ni  Ni252  1  0.890952  0.874649  0.328110  1
  Ni  Ni253  1  0.680520  0.245951  0.441500  1
  Ni  Ni254  1  0.347187  0.245951  0.441500  1
  Ni  Ni255  1  0.285758  0.793892  0.421028  1
  Ni  Ni256  1  0.013853  0.245951  0.441500  1
  Ni  Ni257  1  0.952425  0.793892  0.421028  1
  Ni  Ni258  1  0.894943  0.337938  0.404624  1
  Ni  Ni259  1  0.619092  0.793892  0.421028  1
  Ni  Ni260  1  0.561609  0.337938  0.404624  1
  Ni  Ni261  1  0.228276  0.337938  0.404624  1
  Ni  Ni262  1  0.514359  0.135932  0.424467  1
  Ni  Ni263  1  0.181025  0.135932  0.424467  1
  Ni  Ni264  1  0.119865  0.682823  0.405544  1
  Ni  Ni265  1  0.847692  0.135932  0.424467  1
  Ni  Ni266  1  0.786532  0.682823  0.405544  1
  Ni  Ni267  1  0.728083  0.226214  0.388600  1
  Ni  Ni268  1  0.453198  0.682823  0.405544  1
  Ni  Ni269  1  0.394749  0.226214  0.388600  1
  Ni  Ni270  1  0.061416  0.226214  0.388600  1
  Ni  Ni271  1  0.863580  0.612752  0.496503  1
  Ni  Ni272  1  0.530247  0.612752  0.496503  1
  Ni  Ni273  1  0.468947  0.156130  0.478418  1
  Ni  Ni274  1  0.196913  0.612752  0.496503  1
  Ni  Ni275  1  0.135614  0.156130  0.478418  1
  Ni  Ni276  1  0.074947  0.702455  0.459489  1
  Ni  Ni277  1  0.802280  0.156130  0.478418  1
  Ni  Ni278  1  0.741614  0.702455  0.459489  1
  Ni  Ni279  1  0.408281  0.702455  0.459489  1
  Ni  Ni280  1  0.697467  0.502460  0.479658  1
  Ni  Ni281  1  0.364133  0.502460  0.479658  1
  Ni  Ni282  1  0.302851  0.046107  0.461537  1
  Ni  Ni283  1  0.030800  0.502460  0.479658  1
  Ni  Ni284  1  0.969518  0.046107  0.461537  1
  Ni  Ni285  1  0.909274  0.591737  0.443158  1
  Ni  Ni286  1  0.636185  0.046107  0.461537  1
  Ni  Ni287  1  0.575941  0.591737  0.443158  1
  Ni  Ni288  1  0.242607  0.591737  0.443158  1
  Ni  Ni289  1  0.044819  0.976294  0.551889  1
  Ni  Ni290  1  0.711486  0.976294  0.551889  1
  Ni  Ni291  1  0.651242  0.521923  0.533509  1
  Ni  Ni292  1  0.378153  0.976294  0.551889  1
  Ni  Ni293  1  0.317909  0.521923  0.533509  1
  Ni  Ni294  1  0.256627  0.065570  0.515388  1
  Ni  Ni295  1  0.984575  0.521923  0.533509  1
  Ni  Ni296  1  0.923293  0.065570  0.515388  1
  Ni  Ni297  1  0.589960  0.065570  0.515388  1
  Ni  Ni298  1  0.879146  0.865576  0.535557  1
  Ni  Ni299  1  0.545813  0.865576  0.535557  1
  Ni  Ni300  1  0.485146  0.411901  0.516628  1
  Ni  Ni301  1  0.212479  0.865576  0.535557  1
  Ni  Ni302  1  0.151813  0.411901  0.516628  1
  Ni  Ni303  1  0.090513  0.955278  0.498543  1
  Ni  Ni304  1  0.818480  0.411901  0.516628  1
  Ni  Ni305  1  0.757180  0.955278  0.498543  1
  Ni  Ni306  1  0.423847  0.955278  0.498543  1
  Ni  Ni307  1  0.226011  0.341817  0.606446  1
  Ni  Ni308  1  0.892677  0.341817  0.606446  1
  Ni  Ni309  1  0.834228  0.885208  0.589502  1
  Ni  Ni310  1  0.559344  0.341817  0.606446  1
  Ni  Ni311  1  0.500895  0.885208  0.589502  1
  Ni  Ni312  1  0.439735  0.432099  0.570579  1
  Ni  Ni313  1  0.167562  0.885208  0.589502  1
  Ni  Ni314  1  0.106401  0.432099  0.570579  1
  Ni  Ni315  1  0.773068  0.432099  0.570579  1
  Ni  Ni316  1  0.059150  0.230092  0.590422  1
  Ni  Ni317  1  0.725817  0.230092  0.590422  1
  Ni  Ni318  1  0.668335  0.774139  0.574018  1
  Ni  Ni319  1  0.392484  0.230092  0.590422  1
  Ni  Ni320  1  0.335002  0.774139  0.574018  1
  Ni  Ni321  1  0.273573  0.322080  0.553546  1
  Ni  Ni322  1  1.001668  0.774139  0.574018  1
  Ni  Ni323  1  0.940240  0.322080  0.553546  1
  Ni  Ni324  1  0.606906  0.322080  0.553546  1
  Ni  Ni325  1  0.396475  0.693382  0.666936  1
  Ni  Ni326  1  0.063141  0.693382  0.666936  1
  Ni  Ni327  1  0.015909  0.248831  0.642595  1
  Ni  Ni328  1  0.729808  0.693382  0.666936  1
  Ni  Ni329  1  0.682575  0.248831  0.642595  1
  Ni  Ni330  1  0.620219  0.793251  0.626570  1
  Ni  Ni331  1  0.349242  0.248831  0.642595  1
  Ni  Ni332  1  0.286886  0.793251  0.626570  1
  Ni  Ni333  1  0.953552  0.793251  0.626570  1
  Ni  Ni334  1  0.243156  0.596939  0.647519  1
  Ni  Ni335  1  0.909823  0.596939  0.647519  1
  Ni  Ni336  1  0.852989  0.143496  0.627922  1
  Ni  Ni337  1  0.576489  0.596939  0.647519  1
  Ni  Ni338  1  0.519656  0.143496  0.627922  1
  Ni  Ni339  1  0.455145  0.688624  0.609046  1
  Ni  Ni340  1  0.186322  0.143496  0.627922  1
  Ni  Ni341  1  0.121812  0.688624  0.609046  1
  Ni  Ni342  1  0.788478  0.688624  0.609046  1
  Ni  Ni343  1  0.600414  0.069006  0.716124  1
  Ni  Ni344  1  0.267081  0.069006  0.716124  1
  Ni  Ni345  1  0.186578  0.593651  0.699829  1
  Ni  Ni346  1  0.933748  0.069006  0.716124  1
  Ni  Ni347  1  0.853245  0.593651  0.699829  1
  Ni  Ni348  1  0.794596  0.149528  0.681272  1
  Ni  Ni349  1  0.519912  0.593651  0.699829  1
  Ni  Ni350  1  0.461263  0.149528  0.681272  1
  Ni  Ni351  1  0.127929  0.149528  0.681272  1
  Ni  Ni352  1  0.440280  0.980973  0.704656  1
  Ni  Ni353  1  0.106947  0.980973  0.704656  1
  Ni  Ni354  1  0.033071  0.511208  0.685330  1
  Ni  Ni355  1  0.773613  0.980973  0.704656  1
  Ni  Ni356  1  0.699737  0.511208  0.685330  1
  Ni  Ni357  1  0.640680  0.056418  0.664808  1
  Ni  Ni358  1  0.366404  0.511208  0.685330  1
  Ni  Ni359  1  0.307347  0.056418  0.664808  1
  Ni  Ni360  1  0.974014  0.056418  0.664808  1
