# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.57561083
_cell_length_b   8.40383533
_cell_length_c   49.07825622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.40603556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5336.94062697
_cell_formula_units_Z   28
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  0.748443  0.011577  0.265141  1
  Al  Al2  1  0.314455  0.659615  0.297579  1
  Al  Al3  1  0.823606  0.948560  0.319582  1
  Al  Al4  1  0.288483  0.323572  0.285671  1
  Al  Al5  1  0.788539  0.360700  0.281950  1
  Al  Al6  1  0.320656  0.987884  0.315891  1
  Al  Al7  1  0.572983  0.467045  0.318002  1
  Al  Al8  1  0.039547  0.842495  0.279779  1
  Al  Al9  1  0.562029  0.144429  0.301820  1
  Al  Al10  1  0.014433  0.499315  0.269294  1
  Al  Al11  1  0.589343  0.802055  0.332943  1
  Al  Al12  1  0.053066  0.170002  0.298555  1
  Al  Al13  1  0.842661  0.285877  0.334536  1
  Al  Al14  1  0.373216  0.908995  0.366710  1
  Al  Al15  1  0.893626  0.207231  0.385576  1
  Al  Al16  1  0.359760  0.579677  0.350773  1
  Al  Al17  1  0.857093  0.615337  0.349360  1
  Al  Al18  1  0.390026  0.240254  0.381967  1
  Al  Al19  1  0.640725  0.723503  0.383999  1
  Al  Al20  1  0.105717  0.096151  0.350853  1
  Al  Al21  1  0.625580  0.392185  0.368729  1
  Al  Al22  1  0.092140  0.763667  0.335304  1
  Al  Al23  1  0.656537  0.053663  0.399039  1
  Al  Al24  1  0.123644  0.427591  0.365406  1
  Al  Al25  1  0.908664  0.537701  0.400699  1
  Al  Al26  1  0.443077  0.165167  0.433856  1
  Al  Al27  1  0.961744  0.462358  0.452023  1
  Al  Al28  1  0.427266  0.834634  0.418693  1
  Al  Al29  1  0.924630  0.867963  0.415722  1
  Al  Al30  1  0.458594  0.495771  0.449057  1
  Al  Al31  1  0.710038  0.978825  0.450563  1
  Al  Al32  1  0.177123  0.352493  0.416893  1
  Al  Al33  1  0.694164  0.648239  0.435431  1
  Al  Al34  1  0.161241  0.021826  0.401930  1
  Al  Al35  1  0.725476  0.309496  0.465781  1
  Al  Al36  1  0.192391  0.682376  0.432117  1
  Al  Al37  1  0.977481  0.792926  0.467136  1
  Al  Al38  1  0.511524  0.420604  0.500512  1
  Al  Al39  1  0.030105  0.717452  0.518678  1
  Al  Al40  1  0.495929  0.089823  0.485353  1
  Al  Al41  1  0.992836  0.123618  0.482351  1
  Al  Al42  1  0.527022  0.751209  0.515678  1
  Al  Al43  1  0.778244  0.234203  0.517332  1
  Al  Al44  1  0.244406  0.606628  0.483820  1
  Al  Al45  1  0.762872  0.903614  0.502126  1
  Al  Al46  1  0.228954  0.276148  0.468620  1
  Al  Al47  1  0.793781  0.564809  0.532513  1
  Al  Al48  1  0.259856  0.937336  0.499034  1
  Al  Al49  1  0.045448  0.048192  0.533930  1
  Al  Al50  1  0.579560  0.675904  0.567381  1
  Al  Al51  1  0.097775  0.972696  0.585518  1
  Al  Al52  1  0.564160  0.345170  0.552081  1
  Al  Al53  1  0.061018  0.378578  0.549101  1
  Al  Al54  1  0.595220  0.006026  0.582603  1
  Al  Al55  1  0.846142  0.488888  0.584034  1
  Al  Al56  1  0.312824  0.862075  0.550469  1
  Al  Al57  1  0.830800  0.158943  0.568846  1
  Al  Al58  1  0.297327  0.531432  0.535334  1
  Al  Al59  1  0.861883  0.819104  0.598971  1
  Al  Al60  1  0.328946  0.193040  0.565539  1
  Al  Al61  1  0.113314  0.302251  0.600515  1
  Al  Al62  1  0.649825  0.931150  0.634063  1
  Al  Al63  1  0.166392  0.225770  0.651264  1
  Al  Al64  1  0.633102  0.601521  0.619280  1
  Al  Al65  1  0.129487  0.634648  0.615599  1
  Al  Al66  1  0.663805  0.261500  0.649686  1
  Al  Al67  1  0.914839  0.742742  0.650825  1
  Al  Al68  1  0.383176  0.119097  0.617032  1
  Al  Al69  1  0.898429  0.412346  0.635892  1
  Al  Al70  1  0.366400  0.787091  0.601886  1
  Al  Al71  1  0.930706  0.079032  0.666471  1
  Al  Al72  1  0.396640  0.447974  0.632522  1
  Al  Al73  1  0.185356  0.562165  0.666087  1
  Al  Al74  1  0.707556  0.182262  0.703372  1
  Al  Al75  1  0.234059  0.480586  0.719481  1
  Al  Al76  1  0.702169  0.850252  0.684534  1
  Al  Al77  1  0.198482  0.890330  0.680407  1
  Al  Al78  1  0.735684  0.526822  0.715872  1
  Al  Al79  1  1.000839  0.017197  0.720184  1
  Al  Al80  1  0.445902  0.365701  0.683524  1
  Al  Al81  1  0.970410  0.671776  0.702654  1
  Al  Al82  1  0.432814  0.038655  0.668867  1
  Al  Al83  1  0.007426  0.341413  0.731125  1
  Al  Al84  1  0.460534  0.697381  0.699385  1
  Ni  Ni85  1  0.545198  0.858884  0.283346  1
  Ni  Ni86  1  0.068693  0.462668  0.317555  1
  Ni  Ni87  1  0.404643  0.948466  0.275377  1
  Ni  Ni88  1  0.940066  0.564639  0.309312  1
  Ni  Ni89  1  0.447377  0.567104  0.307391  1
  Ni  Ni90  1  0.896260  0.935359  0.275432  1
  Ni  Ni91  1  0.447259  0.870043  0.325732  1
  Ni  Ni92  1  0.904164  0.227243  0.293249  1
  Ni  Ni93  1  0.703352  0.073369  0.309357  1
  Ni  Ni94  1  0.163203  0.443476  0.275210  1
  Ni  Ni95  1  0.806444  0.655469  0.300891  1
  Ni  Ni96  1  0.259097  0.027933  0.268781  1
  Ni  Ni97  1  0.669592  0.743018  0.293013  1
  Ni  Ni98  1  0.205794  0.375930  0.325111  1
  Ni  Ni99  1  0.708687  0.376804  0.325800  1
  Ni  Ni100  1  0.171935  0.742123  0.292326  1
  Ni  Ni101  1  0.643399  0.434205  0.276386  1
  Ni  Ni102  1  0.174664  0.048781  0.310652  1
  Ni  Ni103  1  0.436489  0.259651  0.289987  1
  Ni  Ni104  1  0.969045  0.882740  0.323707  1
  Ni  Ni105  1  0.607471  0.096659  0.350752  1
  Ni  Ni106  1  0.144117  0.724560  0.383553  1
  Ni  Ni107  1  0.473701  0.187849  0.341928  1
  Ni  Ni108  1  0.009782  0.817005  0.375591  1
  Ni  Ni109  1  0.506231  0.815990  0.375477  1
  Ni  Ni110  1  0.973088  0.186809  0.342294  1
  Ni  Ni111  1  0.514161  0.121626  0.392821  1
  Ni  Ni112  1  0.981823  0.496263  0.359984  1
  Ni  Ni113  1  0.768126  0.325313  0.375050  1
  Ni  Ni114  1  0.235338  0.695109  0.340015  1
  Ni  Ni115  1  0.876214  0.909623  0.367309  1
  Ni  Ni116  1  0.342406  0.285354  0.333173  1
  Ni  Ni117  1  0.742017  0.003886  0.359272  1
  Ni  Ni118  1  0.276936  0.631129  0.391626  1
  Ni  Ni119  1  0.774645  0.630417  0.392356  1
  Ni  Ni120  1  0.240537  0.004224  0.358585  1
  Ni  Ni121  1  0.713693  0.680188  0.343421  1
  Ni  Ni122  1  0.249059  0.310315  0.375694  1
  Ni  Ni123  1  0.500706  0.511499  0.358216  1
  Ni  Ni124  1  0.035532  0.139408  0.391679  1
  Ni  Ni125  1  0.675252  0.350874  0.417256  1
  Ni  Ni126  1  0.210494  0.979395  0.450429  1
  Ni  Ni127  1  0.541760  0.443818  0.408858  1
  Ni  Ni128  1  0.076978  0.072741  0.442112  1
  Ni  Ni129  1  0.576455  0.071884  0.442215  1
  Ni  Ni130  1  0.043096  0.445283  0.408810  1
  Ni  Ni131  1  0.583528  0.377812  0.459614  1
  Ni  Ni132  1  0.050292  0.750686  0.426119  1
  Ni  Ni133  1  0.836251  0.579931  0.441578  1
  Ni  Ni134  1  0.303068  0.953114  0.407953  1
  Ni  Ni135  1  0.942859  0.165326  0.433935  1
  Ni  Ni136  1  0.408762  0.537194  0.400397  1
  Ni  Ni137  1  0.808909  0.257948  0.425628  1
  Ni  Ni138  1  0.343675  0.885961  0.458849  1
  Ni  Ni139  1  0.843570  0.885712  0.458919  1
  Ni  Ni140  1  0.310091  0.258677  0.425372  1
  Ni  Ni141  1  0.782323  0.936165  0.409619  1
  Ni  Ni142  1  0.316793  0.564212  0.442839  1
  Ni  Ni143  1  0.569056  0.766120  0.424872  1
  Ni  Ni144  1  0.104077  0.394140  0.457992  1
  Ni  Ni145  1  0.744081  0.606555  0.483962  1
  Ni  Ni146  1  0.278593  0.234274  0.517179  1
  Ni  Ni147  1  0.610722  0.699837  0.475575  1
  Ni  Ni148  1  0.145026  0.327403  0.508852  1
  Ni  Ni149  1  0.644855  0.327401  0.508935  1
  Ni  Ni150  1  0.111181  0.699961  0.475417  1
  Ni  Ni151  1  0.651761  0.633159  0.526365  1
  Ni  Ni152  1  0.117882  0.005722  0.492897  1
  Ni  Ni153  1  0.904983  0.835268  0.508170  1
  Ni  Ni154  1  0.370896  0.207752  0.474794  1
  Ni  Ni155  1  0.011516  0.420611  0.500514  1
  Ni  Ni156  1  0.477142  0.792805  0.467220  1
  Ni  Ni157  1  0.877712  0.513521  0.492263  1
  Ni  Ni158  1  0.412370  0.141377  0.525456  1
  Ni  Ni159  1  0.911880  0.141209  0.525602  1
  Ni  Ni160  1  0.377897  0.513535  0.492182  1
  Ni  Ni161  1  0.850607  0.191790  0.476330  1
  Ni  Ni162  1  0.384956  0.819438  0.509559  1
  Ni  Ni163  1  0.637963  0.021586  0.491512  1
  Ni  Ni164  1  0.172081  0.649088  0.524809  1
  Ni  Ni165  1  0.812366  0.861481  0.550619  1
  Ni  Ni166  1  0.348016  0.490474  0.583713  1
  Ni  Ni167  1  0.678853  0.954761  0.542328  1
  Ni  Ni168  1  0.213608  0.582638  0.575482  1
  Ni  Ni169  1  0.712335  0.581766  0.575789  1
  Ni  Ni170  1  0.178966  0.955050  0.542254  1
  Ni  Ni171  1  0.720349  0.888305  0.593038  1
  Ni  Ni172  1  0.186402  0.260916  0.559595  1
  Ni  Ni173  1  0.972527  0.090255  0.574941  1
  Ni  Ni174  1  0.439576  0.463474  0.541414  1
  Ni  Ni175  1  0.079785  0.675639  0.567252  1
  Ni  Ni176  1  0.545810  0.048294  0.533860  1
  Ni  Ni177  1  0.946212  0.768557  0.558898  1
  Ni  Ni178  1  0.481262  0.397684  0.592302  1
  Ni  Ni179  1  0.979813  0.396281  0.592369  1
  Ni  Ni180  1  0.446709  0.769430  0.558796  1
  Ni  Ni181  1  0.918982  0.447060  0.543011  1
  Ni  Ni182  1  0.453762  0.074761  0.576162  1
  Ni  Ni183  1  0.705783  0.276490  0.558333  1
  Ni  Ni184  1  0.240973  0.905445  0.591363  1
  Ni  Ni185  1  0.879671  0.118131  0.617518  1
  Ni  Ni186  1  0.412855  0.742488  0.651008  1
  Ni  Ni187  1  0.746669  0.210230  0.609223  1
  Ni  Ni188  1  0.283152  0.840270  0.641416  1
  Ni  Ni189  1  0.784825  0.840131  0.642177  1
  Ni  Ni190  1  0.248745  0.210818  0.608500  1
  Ni  Ni191  1  0.786666  0.144402  0.661128  1
  Ni  Ni192  1  0.255118  0.515672  0.625707  1
  Ni  Ni193  1  0.041705  0.346517  0.641383  1
  Ni  Ni194  1  0.507813  0.718526  0.608527  1
  Ni  Ni195  1  0.146428  0.930474  0.633448  1
  Ni  Ni196  1  0.613308  0.302632  0.600868  1
  Ni  Ni197  1  0.011492  0.022386  0.625831  1
  Ni  Ni198  1  0.546831  0.649800  0.659271  1
  Ni  Ni199  1  0.047989  0.650891  0.658780  1
  Ni  Ni200  1  0.514849  0.022727  0.625970  1
  Ni  Ni201  1  0.986458  0.700912  0.609668  1
  Ni  Ni202  1  0.522252  0.330021  0.643200  1
  Ni  Ni203  1  0.774258  0.531147  0.625134  1
  Ni  Ni204  1  0.308516  0.159440  0.657482  1
  Ni  Ni205  1  0.950287  0.372262  0.683947  1
  Ni  Ni206  1  0.489375  0.995779  0.716539  1
  Ni  Ni207  1  0.815696  0.463875  0.676317  1
  Ni  Ni208  1  0.345429  0.083191  0.709873  1
  Ni  Ni209  1  0.844873  0.085718  0.710611  1
  Ni  Ni210  1  0.313332  0.462322  0.675617  1
  Ni  Ni211  1  0.858291  0.396642  0.725880  1
  Ni  Ni212  1  0.319178  0.771509  0.694200  1
  Ni  Ni213  1  0.117919  0.611296  0.707028  1
  Ni  Ni214  1  0.576805  0.970641  0.674634  1
  Ni  Ni215  1  0.214890  0.183355  0.699988  1
  Ni  Ni216  1  0.683977  0.561023  0.667495  1
  Ni  Ni217  1  0.087125  0.284861  0.690645  1
  Ni  Ni218  1  0.623761  0.891421  0.724960  1
  Ni  Ni219  1  0.133300  0.904085  0.724884  1
  Ni  Ni220  1  0.580602  0.281586  0.692414  1
  Ni  Ni221  1  0.054443  0.957938  0.676517  1
  Ni  Ni222  1  0.583198  0.577114  0.710215  1
  Ni  Ni223  1  0.850502  0.798608  0.692137  1
  Ni  Ni224  1  0.378084  0.403515  0.724686  1
