# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.59244159
_cell_length_b   15.38289439
_cell_length_c   46.08770104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.02344291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al216 Ni144'
_cell_volume   10845.3692273
_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  0.308246  0.609819  0.290641  1
  Al  Al2  1  0.974913  0.609819  0.290641  1
  Al  Al3  1  0.049647  0.427591  0.318127  1
  Al  Al4  1  0.641579  0.609819  0.290641  1
  Al  Al5  1  0.716313  0.427591  0.318127  1
  Al  Al6  1  0.709045  0.069950  0.305856  1
  Al  Al7  1  0.382980  0.427591  0.318127  1
  Al  Al8  1  0.375712  0.069950  0.305856  1
  Al  Al9  1  0.042378  0.069950  0.305856  1
  Al  Al10  1  0.208136  0.318609  0.303426  1
  Al  Al11  1  0.874803  0.318609  0.303426  1
  Al  Al12  1  0.798368  0.844992  0.288689  1
  Al  Al13  1  0.541470  0.318609  0.303426  1
  Al  Al14  1  0.465035  0.844992  0.288689  1
  Al  Al15  1  0.636457  0.793270  0.315456  1
  Al  Al16  1  0.131701  0.844992  0.288689  1
  Al  Al17  1  0.303123  0.793270  0.315456  1
  Al  Al18  1  0.969790  0.793270  0.315456  1
  Al  Al19  1  0.039394  0.247700  0.283473  1
  Al  Al20  1  0.706061  0.247700  0.283473  1
  Al  Al21  1  0.864854  0.146542  0.325040  1
  Al  Al22  1  0.372727  0.247700  0.283473  1
  Al  Al23  1  0.531521  0.146542  0.325040  1
  Al  Al24  1  0.463091  0.671043  0.312265  1
  Al  Al25  1  0.198187  0.146542  0.325040  1
  Al  Al26  1  0.129758  0.671043  0.312265  1
  Al  Al27  1  0.796425  0.671043  0.312265  1
  Al  Al28  1  0.468913  0.927398  0.342217  1
  Al  Al29  1  0.135579  0.927398  0.342217  1
  Al  Al30  1  0.238255  0.807052  0.372122  1
  Al  Al31  1  0.802246  0.927398  0.342217  1
  Al  Al32  1  0.904922  0.807052  0.372122  1
  Al  Al33  1  0.860675  0.384672  0.361464  1
  Al  Al34  1  0.571588  0.807052  0.372122  1
  Al  Al35  1  0.527342  0.384672  0.361464  1
  Al  Al36  1  0.194008  0.384672  0.361464  1
  Al  Al37  1  0.401725  0.701039  0.356065  1
  Al  Al38  1  0.068392  0.701039  0.356065  1
  Al  Al39  1  0.024762  0.240495  0.340618  1
  Al  Al40  1  0.735058  0.701039  0.356065  1
  Al  Al41  1  0.691428  0.240495  0.340618  1
  Al  Al42  1  0.801089  0.154424  0.375930  1
  Al  Al43  1  0.358095  0.240495  0.340618  1
  Al  Al44  1  0.467756  0.154424  0.375930  1
  Al  Al45  1  0.134422  0.154424  0.375930  1
  Al  Al46  1  0.229794  0.591989  0.341786  1
  Al  Al47  1  0.896461  0.591989  0.341786  1
  Al  Al48  1  0.035744  0.507381  0.376562  1
  Al  Al49  1  0.563128  0.591989  0.341786  1
  Al  Al50  1  0.702410  0.507381  0.376562  1
  Al  Al51  1  0.635203  0.039084  0.361379  1
  Al  Al52  1  0.369077  0.507381  0.376562  1
  Al  Al53  1  0.301870  0.039084  0.361379  1
  Al  Al54  1  0.968537  0.039084  0.361379  1
  Al  Al55  1  0.642339  0.278020  0.395847  1
  Al  Al56  1  0.309006  0.278020  0.395847  1
  Al  Al57  1  0.433119  0.193646  0.433703  1
  Al  Al58  1  0.975673  0.278020  0.395847  1
  Al  Al59  1  0.099786  0.193646  0.433703  1
  Al  Al60  1  0.037139  0.738763  0.414482  1
  Al  Al61  1  0.766453  0.193646  0.433703  1
  Al  Al62  1  0.703806  0.738763  0.414482  1
  Al  Al63  1  0.370472  0.738763  0.414482  1
  Al  Al64  1  0.588911  0.062430  0.413794  1
  Al  Al65  1  0.255578  0.062430  0.413794  1
  Al  Al66  1  0.195724  0.606585  0.396036  1
  Al  Al67  1  0.922245  0.062430  0.413794  1
  Al  Al68  1  0.862391  0.606585  0.396036  1
  Al  Al69  1  0.984902  0.519739  0.431490  1
  Al  Al70  1  0.529057  0.606585  0.396036  1
  Al  Al71  1  0.651569  0.519739  0.431490  1
  Al  Al72  1  0.318235  0.519739  0.431490  1
  Al  Al73  1  0.422859  0.955463  0.396228  1
  Al  Al74  1  0.089526  0.955463  0.396228  1
  Al  Al75  1  0.212552  0.864597  0.433517  1
  Al  Al76  1  0.756192  0.955463  0.396228  1
  Al  Al77  1  0.879219  0.864597  0.433517  1
  Al  Al78  1  0.817479  0.408649  0.415994  1
  Al  Al79  1  0.545885  0.864597  0.433517  1
  Al  Al80  1  0.484146  0.408649  0.415994  1
  Al  Al81  1  0.150812  0.408649  0.415994  1
  Al  Al82  1  0.826288  0.648303  0.451088  1
  Al  Al83  1  0.492954  0.648303  0.451088  1
  Al  Al84  1  0.614380  0.557896  0.488506  1
  Al  Al85  1  0.159621  0.648303  0.451088  1
  Al  Al86  1  0.281047  0.557896  0.488506  1
  Al  Al87  1  0.218933  0.100293  0.470033  1
  Al  Al88  1  0.947713  0.557896  0.488506  1
  Al  Al89  1  0.885599  0.100293  0.470033  1
  Al  Al90  1  0.552266  0.100293  0.470033  1
  Al  Al91  1  0.772231  0.428953  0.469065  1
  Al  Al92  1  0.438897  0.428953  0.469065  1
  Al  Al93  1  0.378022  0.973517  0.450275  1
  Al  Al94  1  0.105564  0.428953  0.469065  1
  Al  Al95  1  0.044689  0.973517  0.450275  1
  Al  Al96  1  0.165760  0.883007  0.487522  1
  Al  Al97  1  0.711355  0.973517  0.450275  1
  Al  Al98  1  0.832427  0.883007  0.487522  1
  Al  Al99  1  0.499094  0.883007  0.487522  1
  Al  Al100  1  0.606700  0.319295  0.452464  1
  Al  Al101  1  0.273367  0.319295  0.452464  1
  Al  Al102  1  0.393867  0.228498  0.489620  1
  Al  Al103  1  0.940034  0.319295  0.452464  1
  Al  Al104  1  0.060534  0.228498  0.489620  1
  Al  Al105  1  0.999684  0.775270  0.470294  1
  Al  Al106  1  0.727200  0.228498  0.489620  1
  Al  Al107  1  0.666351  0.775270  0.470294  1
  Al  Al108  1  0.333017  0.775270  0.470294  1
  Al  Al109  1  0.006749  0.009737  0.506798  1
  Al  Al110  1  0.673415  0.009737  0.506798  1
  Al  Al111  1  0.794841  0.919330  0.544217  1
  Al  Al112  1  0.340082  0.009737  0.506798  1
  Al  Al113  1  0.461508  0.919330  0.544217  1
  Al  Al114  1  0.402196  0.467340  0.525272  1
  Al  Al115  1  0.128174  0.919330  0.544217  1
  Al  Al116  1  0.068863  0.467340  0.525272  1
  Al  Al117  1  0.735529  0.467340  0.525272  1
  Al  Al118  1  0.954778  0.792363  0.525011  1
  Al  Al119  1  0.621445  0.792363  0.525011  1
  Al  Al120  1  0.560595  0.339135  0.505684  1
  Al  Al121  1  0.288111  0.792363  0.525011  1
  Al  Al122  1  0.227262  0.339135  0.505684  1
  Al  Al123  1  0.347762  0.248337  0.542840  1
  Al  Al124  1  0.893928  0.339135  0.505684  1
  Al  Al125  1  0.014428  0.248337  0.542840  1
  Al  Al126  1  0.681095  0.248337  0.542840  1
  Al  Al127  1  0.788702  0.684626  0.507782  1
  Al  Al128  1  0.455368  0.684626  0.507782  1
  Al  Al129  1  0.576440  0.594116  0.545029  1
  Al  Al130  1  0.122035  0.684626  0.507782  1
  Al  Al131  1  0.243107  0.594116  0.545029  1
  Al  Al132  1  0.182231  0.138680  0.526239  1
  Al  Al133  1  0.909773  0.594116  0.545029  1
  Al  Al134  1  0.848898  0.138680  0.526239  1
  Al  Al135  1  0.515565  0.138680  0.526239  1
  Al  Al136  1  0.188009  0.373987  0.561602  1
  Al  Al137  1  0.854676  0.373987  0.561602  1
  Al  Al138  1  0.978789  0.289613  0.599457  1
  Al  Al139  1  0.521343  0.373987  0.561602  1
  Al  Al140  1  0.645456  0.289613  0.599457  1
  Al  Al141  1  0.583990  0.828870  0.580822  1
  Al  Al142  1  0.312123  0.289613  0.599457  1
  Al  Al143  1  0.250656  0.828870  0.580822  1
  Al  Al144  1  0.917323  0.828870  0.580822  1
  Al  Al145  1  0.136983  0.158984  0.579311  1
  Al  Al146  1  0.803650  0.158984  0.579311  1
  Al  Al147  1  0.741910  0.703036  0.561787  1
  Al  Al148  1  0.470316  0.158984  0.579311  1
  Al  Al149  1  0.408577  0.703036  0.561787  1
  Al  Al150  1  0.531603  0.612170  0.599077  1
  Al  Al151  1  0.075243  0.703036  0.561787  1
  Al  Al152  1  0.198270  0.612170  0.599077  1
  Al  Al153  1  0.864936  0.612170  0.599077  1
  Al  Al154  1  0.969560  0.047894  0.563815  1
  Al  Al155  1  0.636227  0.047894  0.563815  1
  Al  Al156  1  0.758738  0.961047  0.599268  1
  Al  Al157  1  0.302894  0.047894  0.563815  1
  Al  Al158  1  0.425405  0.961047  0.599268  1
  Al  Al159  1  0.365551  0.505202  0.581511  1
  Al  Al160  1  0.092071  0.961047  0.599268  1
  Al  Al161  1  0.032217  0.505202  0.581511  1
  Al  Al162  1  0.698884  0.505202  0.581511  1
  Al  Al163  1  0.382874  0.760580  0.623183  1
  Al  Al164  1  0.049540  0.760580  0.623183  1
  Al  Al165  1  0.152216  0.640235  0.653087  1
  Al  Al166  1  0.716207  0.760580  0.623183  1
  Al  Al167  1  0.818883  0.640235  0.653087  1
  Al  Al168  1  0.760454  0.182960  0.633840  1
  Al  Al169  1  0.485549  0.640235  0.653087  1
  Al  Al170  1  0.427120  0.182960  0.633840  1
  Al  Al171  1  0.093787  0.182960  0.633840  1
  Al  Al172  1  0.319259  0.528548  0.633926  1
  Al  Al173  1  0.985925  0.528548  0.633926  1
  Al  Al174  1  0.918718  0.060251  0.618743  1
  Al  Al175  1  0.652592  0.528548  0.633926  1
  Al  Al176  1  0.585385  0.060251  0.618743  1
  Al  Al177  1  0.724668  0.975643  0.653519  1
  Al  Al178  1  0.252052  0.060251  0.618743  1
  Al  Al179  1  0.391334  0.975643  0.653519  1
  Al  Al180  1  0.058001  0.975643  0.653519  1
  Al  Al181  1  0.153373  0.413209  0.619375  1
  Al  Al182  1  0.820040  0.413209  0.619375  1
  Al  Al183  1  0.929700  0.327138  0.654686  1
  Al  Al184  1  0.486706  0.413209  0.619375  1
  Al  Al185  1  0.596367  0.327138  0.654686  1
  Al  Al186  1  0.552737  0.866593  0.639240  1
  Al  Al187  1  0.263034  0.327138  0.654686  1
  Al  Al188  1  0.219404  0.866593  0.639240  1
  Al  Al189  1  0.886070  0.866593  0.639240  1
  Al  Al190  1  0.571482  0.140042  0.677177  1
  Al  Al191  1  0.238149  0.140042  0.677177  1
  Al  Al192  1  0.312883  0.957814  0.704664  1
  Al  Al193  1  0.904815  0.140042  0.677177  1
  Al  Al194  1  0.979549  0.957814  0.704664  1
  Al  Al195  1  0.912084  0.497683  0.689448  1
  Al  Al196  1  0.646216  0.957814  0.704664  1
  Al  Al197  1  0.578750  0.497683  0.689448  1
  Al  Al198  1  0.245417  0.497683  0.689448  1
  Al  Al199  1  0.491371  0.896590  0.683039  1
  Al  Al200  1  0.158037  0.896590  0.683039  1
  Al  Al201  1  0.089608  0.421091  0.670264  1
  Al  Al202  1  0.824704  0.896590  0.683039  1
  Al  Al203  1  0.756275  0.421091  0.670264  1
  Al  Al204  1  0.915068  0.319932  0.711832  1
  Al  Al205  1  0.422941  0.421091  0.670264  1
  Al  Al206  1  0.581735  0.319932  0.711832  1
  Al  Al207  1  0.248401  0.319932  0.711832  1
  Al  Al208  1  0.318005  0.774363  0.679848  1
  Al  Al209  1  0.984672  0.774363  0.679848  1
  Al  Al210  1  0.156094  0.722641  0.706616  1
  Al  Al211  1  0.651339  0.774363  0.679848  1
  Al  Al212  1  0.822761  0.722641  0.706616  1
  Al  Al213  1  0.746326  0.249024  0.691879  1
  Al  Al214  1  0.489427  0.722641  0.706616  1
  Al  Al215  1  0.412992  0.249024  0.691879  1
  Al  Al216  1  0.079659  0.249024  0.691879  1
  Ni  Ni217  1  0.313687  0.511601  0.330307  1
  Ni  Ni218  1  0.980354  0.511601  0.330307  1
  Ni  Ni219  1  0.921316  0.056840  0.309800  1
  Ni  Ni220  1  0.647020  0.511601  0.330307  1
  Ni  Ni221  1  0.587982  0.056840  0.309800  1
  Ni  Ni222  1  0.514077  0.587049  0.290444  1
  Ni  Ni223  1  0.254649  0.056840  0.309800  1
  Ni  Ni224  1  0.180743  0.587049  0.290444  1
  Ni  Ni225  1  0.847410  0.587049  0.290444  1
  Ni  Ni226  1  0.159795  0.418549  0.313826  1
  Ni  Ni227  1  0.826461  0.418549  0.313826  1
  Ni  Ni228  1  0.767776  0.974323  0.295273  1
  Ni  Ni229  1  0.493128  0.418549  0.313826  1
  Ni  Ni230  1  0.434443  0.974323  0.295273  1
  Ni  Ni231  1  0.353856  0.498959  0.278982  1
  Ni  Ni232  1  0.101109  0.974323  0.295273  1
  Ni  Ni233  1  0.020523  0.498959  0.278982  1
  Ni  Ni234  1  0.687189  0.498959  0.278982  1
  Ni  Ni235  1  0.499208  0.879344  0.386085  1
  Ni  Ni236  1  0.165875  0.879344  0.386085  1
  Ni  Ni237  1  0.101368  0.424515  0.367209  1
  Ni  Ni238  1  0.832541  0.879344  0.386085  1
  Ni  Ni239  1  0.768034  0.424515  0.367209  1
  Ni  Ni240  1  0.711224  0.971092  0.347597  1
  Ni  Ni241  1  0.434701  0.424515  0.367209  1
  Ni  Ni242  1  0.377891  0.971092  0.347597  1
  Ni  Ni243  1  0.044558  0.971092  0.347597  1
  Ni  Ni244  1  0.334139  0.774726  0.368563  1
  Ni  Ni245  1  1.000805  0.774726  0.368563  1
  Ni  Ni246  1  0.938434  0.319147  0.352529  1
  Ni  Ni247  1  0.667472  0.774726  0.368563  1
  Ni  Ni248  1  0.605100  0.319147  0.352529  1
  Ni  Ni249  1  0.557877  0.874609  0.328189  1
  Ni  Ni250  1  0.271767  0.319147  0.352529  1
  Ni  Ni251  1  0.224544  0.874609  0.328189  1
  Ni  Ni252  1  0.891211  0.874609  0.328189  1
  Ni  Ni253  1  0.680735  0.245815  0.441608  1
  Ni  Ni254  1  0.347401  0.245815  0.441608  1
  Ni  Ni255  1  0.285995  0.793799  0.421131  1
  Ni  Ni256  1  0.014068  0.245815  0.441608  1
  Ni  Ni257  1  0.952662  0.793799  0.421131  1
  Ni  Ni258  1  0.895191  0.337857  0.404720  1
  Ni  Ni259  1  0.619328  0.793799  0.421131  1
  Ni  Ni260  1  0.561858  0.337857  0.404720  1
  Ni  Ni261  1  0.228524  0.337857  0.404720  1
  Ni  Ni262  1  0.514589  0.135808  0.424574  1
  Ni  Ni263  1  0.181256  0.135808  0.424574  1
  Ni  Ni264  1  0.120109  0.682744  0.405636  1
  Ni  Ni265  1  0.847922  0.135808  0.424574  1
  Ni  Ni266  1  0.786775  0.682744  0.405636  1
  Ni  Ni267  1  0.728344  0.226144  0.388688  1
  Ni  Ni268  1  0.453442  0.682744  0.405636  1
  Ni  Ni269  1  0.395011  0.226144  0.388688  1
  Ni  Ni270  1  0.061677  0.226144  0.388688  1
  Ni  Ni271  1  0.863765  0.612557  0.496629  1
  Ni  Ni272  1  0.530432  0.612557  0.496629  1
  Ni  Ni273  1  0.469145  0.155962  0.478540  1
  Ni  Ni274  1  0.197098  0.612557  0.496629  1
  Ni  Ni275  1  0.135812  0.155962  0.478540  1
  Ni  Ni276  1  0.075155  0.702301  0.459606  1
  Ni  Ni277  1  0.802478  0.155962  0.478540  1
  Ni  Ni278  1  0.741822  0.702301  0.459606  1
  Ni  Ni279  1  0.408489  0.702301  0.459606  1
  Ni  Ni280  1  0.697667  0.502284  0.479779  1
  Ni  Ni281  1  0.364333  0.502284  0.479779  1
  Ni  Ni282  1  0.303059  0.045949  0.461653  1
  Ni  Ni283  1  0.031000  0.502284  0.479779  1
  Ni  Ni284  1  0.969726  0.045949  0.461653  1
  Ni  Ni285  1  0.909492  0.591594  0.443268  1
  Ni  Ni286  1  0.636393  0.045949  0.461653  1
  Ni  Ni287  1  0.576158  0.591594  0.443268  1
  Ni  Ni288  1  0.242825  0.591594  0.443268  1
  Ni  Ni289  1  0.044970  0.976039  0.552037  1
  Ni  Ni290  1  0.711637  0.976039  0.552037  1
  Ni  Ni291  1  0.651403  0.521684  0.533652  1
  Ni  Ni292  1  0.378304  0.976039  0.552037  1
  Ni  Ni293  1  0.318069  0.521684  0.533652  1
  Ni  Ni294  1  0.256795  0.065349  0.515526  1
  Ni  Ni295  1  0.984736  0.521684  0.533652  1
  Ni  Ni296  1  0.923462  0.065349  0.515526  1
  Ni  Ni297  1  0.590129  0.065349  0.515526  1
  Ni  Ni298  1  0.879307  0.865331  0.535699  1
  Ni  Ni299  1  0.545973  0.865331  0.535699  1
  Ni  Ni300  1  0.485317  0.411671  0.516765  1
  Ni  Ni301  1  0.212640  0.865331  0.535699  1
  Ni  Ni302  1  0.151984  0.411671  0.516765  1
  Ni  Ni303  1  0.090697  0.955075  0.498675  1
  Ni  Ni304  1  0.818650  0.411671  0.516765  1
  Ni  Ni305  1  0.757364  0.955075  0.498675  1
  Ni  Ni306  1  0.424030  0.955075  0.498675  1
  Ni  Ni307  1  0.226118  0.341488  0.606616  1
  Ni  Ni308  1  0.892785  0.341488  0.606616  1
  Ni  Ni309  1  0.834353  0.884888  0.589669  1
  Ni  Ni310  1  0.559451  0.341488  0.606616  1
  Ni  Ni311  1  0.501020  0.884888  0.589669  1
  Ni  Ni312  1  0.439873  0.431825  0.570731  1
  Ni  Ni313  1  0.167687  0.884888  0.589669  1
  Ni  Ni314  1  0.106540  0.431825  0.570731  1
  Ni  Ni315  1  0.773206  0.431825  0.570731  1
  Ni  Ni316  1  0.059271  0.229775  0.590585  1
  Ni  Ni317  1  0.725938  0.229775  0.590585  1
  Ni  Ni318  1  0.668467  0.773833  0.574174  1
  Ni  Ni319  1  0.392604  0.229775  0.590585  1
  Ni  Ni320  1  0.335134  0.773833  0.574174  1
  Ni  Ni321  1  0.273727  0.321817  0.553696  1
  Ni  Ni322  1  1.001800  0.773833  0.574174  1
  Ni  Ni323  1  0.940394  0.321817  0.553696  1
  Ni  Ni324  1  0.607061  0.321817  0.553696  1
  Ni  Ni325  1  0.396585  0.693024  0.667116  1
  Ni  Ni326  1  0.063251  0.693024  0.667116  1
  Ni  Ni327  1  0.016028  0.248486  0.642775  1
  Ni  Ni328  1  0.729918  0.693024  0.667116  1
  Ni  Ni329  1  0.682695  0.248486  0.642775  1
  Ni  Ni330  1  0.620323  0.792907  0.626742  1
  Ni  Ni331  1  0.349362  0.248486  0.642775  1
  Ni  Ni332  1  0.286990  0.792907  0.626742  1
  Ni  Ni333  1  0.953657  0.792907  0.626742  1
  Ni  Ni334  1  0.243238  0.596540  0.647707  1
  Ni  Ni335  1  0.909904  0.596540  0.647707  1
  Ni  Ni336  1  0.853094  0.143117  0.628096  1
  Ni  Ni337  1  0.576571  0.596540  0.647707  1
  Ni  Ni338  1  0.519761  0.143117  0.628096  1
  Ni  Ni339  1  0.455254  0.688289  0.609220  1
  Ni  Ni340  1  0.186428  0.143117  0.628096  1
  Ni  Ni341  1  0.121921  0.688289  0.609220  1
  Ni  Ni342  1  0.788587  0.688289  0.609220  1
  Ni  Ni343  1  0.600606  0.068674  0.716323  1
  Ni  Ni344  1  0.267273  0.068674  0.716323  1
  Ni  Ni345  1  0.186686  0.593309  0.700032  1
  Ni  Ni346  1  0.933939  0.068674  0.716323  1
  Ni  Ni347  1  0.853353  0.593309  0.700032  1
  Ni  Ni348  1  0.794667  0.149083  0.681479  1
  Ni  Ni349  1  0.520019  0.593309  0.700032  1
  Ni  Ni350  1  0.461334  0.149083  0.681479  1
  Ni  Ni351  1  0.128001  0.149083  0.681479  1
  Ni  Ni352  1  0.440385  0.980584  0.704861  1
  Ni  Ni353  1  0.107052  0.980584  0.704861  1
  Ni  Ni354  1  0.033146  0.510793  0.685505  1
  Ni  Ni355  1  0.773719  0.980584  0.704861  1
  Ni  Ni356  1  0.699813  0.510793  0.685505  1
  Ni  Ni357  1  0.640775  0.056032  0.664998  1
  Ni  Ni358  1  0.366480  0.510793  0.685505  1
  Ni  Ni359  1  0.307442  0.056032  0.664998  1
  Ni  Ni360  1  0.974108  0.056032  0.664998  1
