# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.56358307
_cell_length_b   8.40088195
_cell_length_c   49.14299221
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.40603384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5337.69398813
_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  0.748249  0.011512  0.264650  1
  Al  Al2  1  0.314515  0.659533  0.297053  1
  Al  Al3  1  0.823673  0.948467  0.319065  1
  Al  Al4  1  0.288522  0.323464  0.285168  1
  Al  Al5  1  0.788487  0.360622  0.281452  1
  Al  Al6  1  0.320728  0.987847  0.315348  1
  Al  Al7  1  0.573085  0.466961  0.317483  1
  Al  Al8  1  0.039486  0.842381  0.279270  1
  Al  Al9  1  0.562065  0.144303  0.301305  1
  Al  Al10  1  0.014367  0.499167  0.268794  1
  Al  Al11  1  0.589430  0.802003  0.332410  1
  Al  Al12  1  0.053044  0.169843  0.298035  1
  Al  Al13  1  0.842788  0.285835  0.333995  1
  Al  Al14  1  0.373366  0.908978  0.366141  1
  Al  Al15  1  0.893849  0.207230  0.385004  1
  Al  Al16  1  0.359890  0.579617  0.350219  1
  Al  Al17  1  0.857229  0.615328  0.348812  1
  Al  Al18  1  0.390219  0.240288  0.381393  1
  Al  Al19  1  0.640902  0.723506  0.383431  1
  Al  Al20  1  0.105842  0.096091  0.350300  1
  Al  Al21  1  0.625743  0.392141  0.368174  1
  Al  Al22  1  0.092238  0.763586  0.334772  1
  Al  Al23  1  0.656759  0.053712  0.398453  1
  Al  Al24  1  0.123829  0.427634  0.364838  1
  Al  Al25  1  0.908902  0.537732  0.400115  1
  Al  Al26  1  0.443392  0.165237  0.433251  1
  Al  Al27  1  0.962109  0.462446  0.451399  1
  Al  Al28  1  0.427548  0.834665  0.418102  1
  Al  Al29  1  0.924910  0.868063  0.415123  1
  Al  Al30  1  0.458941  0.495893  0.448438  1
  Al  Al31  1  0.710396  0.978935  0.449941  1
  Al  Al32  1  0.177434  0.352587  0.416291  1
  Al  Al33  1  0.694486  0.648299  0.434822  1
  Al  Al34  1  0.161512  0.021855  0.401341  1
  Al  Al35  1  0.725867  0.309657  0.465145  1
  Al  Al36  1  0.192714  0.682494  0.431504  1
  Al  Al37  1  0.977880  0.793070  0.466499  1
  Al  Al38  1  0.511995  0.420789  0.499853  1
  Al  Al39  1  0.030614  0.717627  0.518009  1
  Al  Al40  1  0.496365  0.089953  0.484709  1
  Al  Al41  1  0.993266  0.123805  0.481700  1
  Al  Al42  1  0.527523  0.751439  0.515004  1
  Al  Al43  1  0.778752  0.234409  0.516661  1
  Al  Al44  1  0.244825  0.606771  0.483176  1
  Al  Al45  1  0.763353  0.903779  0.501470  1
  Al  Al46  1  0.229348  0.276249  0.467989  1
  Al  Al47  1  0.794322  0.565066  0.531828  1
  Al  Al48  1  0.260308  0.937528  0.498378  1
  Al  Al49  1  0.045988  0.048414  0.533249  1
  Al  Al50  1  0.580175  0.676187  0.566672  1
  Al  Al51  1  0.098422  0.972948  0.584807  1
  Al  Al52  1  0.564749  0.345408  0.551384  1
  Al  Al53  1  0.061586  0.378847  0.548409  1
  Al  Al54  1  0.595868  0.006347  0.581883  1
  Al  Al55  1  0.846791  0.489185  0.583314  1
  Al  Al56  1  0.313396  0.862319  0.549775  1
  Al  Al57  1  0.831421  0.159192  0.568139  1
  Al  Al58  1  0.297865  0.531624  0.534655  1
  Al  Al59  1  0.862561  0.819443  0.598238  1
  Al  Al60  1  0.329557  0.193340  0.564829  1
  Al  Al61  1  0.113984  0.302543  0.599791  1
  Al  Al62  1  0.650609  0.931530  0.633309  1
  Al  Al63  1  0.167205  0.226151  0.650493  1
  Al  Al64  1  0.633841  0.601844  0.618538  1
  Al  Al65  1  0.130198  0.635005  0.614858  1
  Al  Al66  1  0.664606  0.261921  0.648915  1
  Al  Al67  1  0.915626  0.743109  0.650070  1
  Al  Al68  1  0.383949  0.119482  0.616278  1
  Al  Al69  1  0.899182  0.412667  0.635147  1
  Al  Al70  1  0.367109  0.787399  0.601150  1
  Al  Al71  1  0.931533  0.079475  0.665698  1
  Al  Al72  1  0.397398  0.448366  0.631762  1
  Al  Al73  1  0.186251  0.562677  0.665303  1
  Al  Al74  1  0.708423  0.182718  0.702573  1
  Al  Al75  1  0.235015  0.481016  0.718672  1
  Al  Al76  1  0.703011  0.850644  0.683736  1
  Al  Al77  1  0.199372  0.890811  0.679611  1
  Al  Al78  1  0.736580  0.527346  0.715064  1
  Al  Al79  1  1.001860  0.017728  0.719366  1
  Al  Al80  1  0.446711  0.366117  0.682734  1
  Al  Al81  1  0.971335  0.672264  0.701859  1
  Al  Al82  1  0.433657  0.039046  0.668093  1
  Al  Al83  1  0.008372  0.341875  0.730300  1
  Al  Al84  1  0.461479  0.697899  0.698585  1
  Ni  Ni85  1  0.545176  0.858743  0.282839  1
  Ni  Ni86  1  0.068719  0.462551  0.317026  1
  Ni  Ni87  1  0.404616  0.948364  0.274861  1
  Ni  Ni88  1  0.940115  0.564568  0.308789  1
  Ni  Ni89  1  0.447469  0.567045  0.306874  1
  Ni  Ni90  1  0.896060  0.935100  0.274938  1
  Ni  Ni91  1  0.447299  0.869948  0.325197  1
  Ni  Ni92  1  0.904120  0.227108  0.292739  1
  Ni  Ni93  1  0.703417  0.073279  0.308845  1
  Ni  Ni94  1  0.163194  0.443320  0.274708  1
  Ni  Ni95  1  0.806422  0.655303  0.300396  1
  Ni  Ni96  1  0.258971  0.027770  0.268285  1
  Ni  Ni97  1  0.669624  0.742966  0.292511  1
  Ni  Ni98  1  0.205853  0.375847  0.324570  1
  Ni  Ni99  1  0.708760  0.376693  0.325279  1
  Ni  Ni100  1  0.171902  0.741981  0.291824  1
  Ni  Ni101  1  0.643286  0.434106  0.275880  1
  Ni  Ni102  1  0.174666  0.048652  0.310131  1
  Ni  Ni103  1  0.436569  0.259617  0.289471  1
  Ni  Ni104  1  0.969148  0.882679  0.323173  1
  Ni  Ni105  1  0.607581  0.096591  0.350209  1
  Ni  Ni106  1  0.144362  0.724606  0.382976  1
  Ni  Ni107  1  0.473809  0.187797  0.341385  1
  Ni  Ni108  1  0.009984  0.817004  0.375028  1
  Ni  Ni109  1  0.506377  0.815954  0.374913  1
  Ni  Ni110  1  0.973214  0.186764  0.341751  1
  Ni  Ni111  1  0.514317  0.121598  0.392246  1
  Ni  Ni112  1  0.981942  0.496218  0.359433  1
  Ni  Ni113  1  0.768361  0.325335  0.374480  1
  Ni  Ni114  1  0.235498  0.695102  0.339457  1
  Ni  Ni115  1  0.876406  0.909634  0.366751  1
  Ni  Ni116  1  0.342514  0.285322  0.332627  1
  Ni  Ni117  1  0.742175  0.003873  0.358720  1
  Ni  Ni118  1  0.277190  0.631176  0.391043  1
  Ni  Ni119  1  0.774866  0.630449  0.391777  1
  Ni  Ni120  1  0.240704  0.004228  0.358020  1
  Ni  Ni121  1  0.713764  0.680126  0.342892  1
  Ni  Ni122  1  0.249211  0.310297  0.375123  1
  Ni  Ni123  1  0.500890  0.511489  0.357660  1
  Ni  Ni124  1  0.035827  0.139486  0.391095  1
  Ni  Ni125  1  0.675526  0.350930  0.416657  1
  Ni  Ni126  1  0.210851  0.979501  0.449806  1
  Ni  Ni127  1  0.542007  0.443845  0.408270  1
  Ni  Ni128  1  0.077331  0.072859  0.441492  1
  Ni  Ni129  1  0.576793  0.071980  0.441601  1
  Ni  Ni130  1  0.043377  0.445353  0.408214  1
  Ni  Ni131  1  0.583861  0.377903  0.458989  1
  Ni  Ni132  1  0.050558  0.750741  0.425514  1
  Ni  Ni133  1  0.836633  0.580061  0.440959  1
  Ni  Ni134  1  0.303388  0.953198  0.407357  1
  Ni  Ni135  1  0.943180  0.165420  0.433322  1
  Ni  Ni136  1  0.409001  0.537209  0.399818  1
  Ni  Ni137  1  0.809200  0.258013  0.425023  1
  Ni  Ni138  1  0.344041  0.886069  0.458225  1
  Ni  Ni139  1  0.843944  0.885837  0.458290  1
  Ni  Ni140  1  0.310394  0.258742  0.424770  1
  Ni  Ni141  1  0.782536  0.936188  0.409028  1
  Ni  Ni142  1  0.317086  0.564277  0.442229  1
  Ni  Ni143  1  0.569390  0.766213  0.424271  1
  Ni  Ni144  1  0.104503  0.394296  0.457358  1
  Ni  Ni145  1  0.744516  0.606717  0.483315  1
  Ni  Ni146  1  0.279083  0.234460  0.516512  1
  Ni  Ni147  1  0.611142  0.699989  0.474935  1
  Ni  Ni148  1  0.145503  0.327584  0.508190  1
  Ni  Ni149  1  0.645348  0.327601  0.508269  1
  Ni  Ni150  1  0.111593  0.700107  0.474775  1
  Ni  Ni151  1  0.652244  0.633354  0.525690  1
  Ni  Ni152  1  0.118280  0.005855  0.492248  1
  Ni  Ni153  1  0.905522  0.835495  0.507502  1
  Ni  Ni154  1  0.371345  0.207914  0.474155  1
  Ni  Ni155  1  0.011987  0.420796  0.499854  1
  Ni  Ni156  1  0.477533  0.792932  0.466590  1
  Ni  Ni157  1  0.878167  0.513694  0.491609  1
  Ni  Ni158  1  0.412892  0.141592  0.524778  1
  Ni  Ni159  1  0.912412  0.141432  0.524925  1
  Ni  Ni160  1  0.378336  0.513689  0.491533  1
  Ni  Ni161  1  0.850977  0.191910  0.475691  1
  Ni  Ni162  1  0.385391  0.819594  0.508898  1
  Ni  Ni163  1  0.638463  0.021788  0.490856  1
  Ni  Ni164  1  0.172640  0.649321  0.524133  1
  Ni  Ni165  1  0.812947  0.861734  0.549924  1
  Ni  Ni166  1  0.348683  0.490785  0.582992  1
  Ni  Ni167  1  0.679412  0.955000  0.541638  1
  Ni  Ni168  1  0.214237  0.582910  0.574773  1
  Ni  Ni169  1  0.712961  0.582046  0.575076  1
  Ni  Ni170  1  0.179511  0.955269  0.541569  1
  Ni  Ni171  1  0.720975  0.888588  0.592315  1
  Ni  Ni172  1  0.186944  0.261136  0.558901  1
  Ni  Ni173  1  0.973201  0.090563  0.574228  1
  Ni  Ni174  1  0.440182  0.463745  0.540721  1
  Ni  Ni175  1  0.080392  0.675896  0.566551  1
  Ni  Ni176  1  0.546359  0.048531  0.533174  1
  Ni  Ni177  1  0.946812  0.768819  0.558198  1
  Ni  Ni178  1  0.481949  0.398021  0.591572  1
  Ni  Ni179  1  0.980471  0.396579  0.591650  1
  Ni  Ni180  1  0.447314  0.769705  0.558092  1
  Ni  Ni181  1  0.919498  0.447269  0.542325  1
  Ni  Ni182  1  0.454363  0.075026  0.575444  1
  Ni  Ni183  1  0.706421  0.276780  0.557629  1
  Ni  Ni184  1  0.241692  0.905783  0.590636  1
  Ni  Ni185  1  0.880388  0.118480  0.616776  1
  Ni  Ni186  1  0.413637  0.742862  0.650243  1
  Ni  Ni187  1  0.747376  0.210572  0.608483  1
  Ni  Ni188  1  0.283962  0.840710  0.640644  1
  Ni  Ni189  1  0.785631  0.840535  0.641414  1
  Ni  Ni190  1  0.249464  0.211151  0.607760  1
  Ni  Ni191  1  0.787431  0.144764  0.660363  1
  Ni  Ni192  1  0.255824  0.516011  0.624955  1
  Ni  Ni193  1  0.042529  0.346932  0.640628  1
  Ni  Ni194  1  0.508574  0.718894  0.607789  1
  Ni  Ni195  1  0.147170  0.930817  0.632694  1
  Ni  Ni196  1  0.613984  0.302941  0.600136  1
  Ni  Ni197  1  0.012200  0.022708  0.625088  1
  Ni  Ni198  1  0.547627  0.650171  0.658496  1
  Ni  Ni199  1  0.048798  0.651268  0.658015  1
  Ni  Ni200  1  0.515596  0.023066  0.625223  1
  Ni  Ni201  1  0.987096  0.701188  0.608941  1
  Ni  Ni202  1  0.522989  0.330378  0.642443  1
  Ni  Ni203  1  0.775054  0.531536  0.624382  1
  Ni  Ni204  1  0.309385  0.159867  0.656693  1
  Ni  Ni205  1  0.951125  0.372654  0.683171  1
  Ni  Ni206  1  0.490409  0.996319  0.715731  1
  Ni  Ni207  1  0.816530  0.464282  0.675545  1
  Ni  Ni208  1  0.346391  0.083629  0.709073  1
  Ni  Ni209  1  0.845724  0.086082  0.709813  1
  Ni  Ni210  1  0.314188  0.462773  0.674834  1
  Ni  Ni211  1  0.859180  0.397132  0.725072  1
  Ni  Ni212  1  0.320069  0.771952  0.693411  1
  Ni  Ni213  1  0.118859  0.611739  0.706210  1
  Ni  Ni214  1  0.577697  0.971100  0.673846  1
  Ni  Ni215  1  0.215851  0.183833  0.699174  1
  Ni  Ni216  1  0.684833  0.561457  0.666713  1
  Ni  Ni217  1  0.088064  0.285373  0.689843  1
  Ni  Ni218  1  0.624866  0.891920  0.724156  1
  Ni  Ni219  1  0.134406  0.904602  0.724067  1
  Ni  Ni220  1  0.581477  0.282056  0.691605  1
  Ni  Ni221  1  0.055278  0.958364  0.675734  1
  Ni  Ni222  1  0.584066  0.577520  0.709405  1
  Ni  Ni223  1  0.851418  0.799089  0.691343  1
  Ni  Ni224  1  0.379111  0.403991  0.723878  1
