# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79469762
_cell_length_b   12.92632794
_cell_length_c   48.86876818
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.94780331
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   5882.67923949
_cell_formula_units_Z   30
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  0.288572  0.468070  0.316226  1
  Al  Al2  1  0.178844  0.749161  0.346423  1
  Al  Al3  1  0.410793  0.180137  0.282714  1
  Al  Al4  1  0.414780  0.567354  0.355517  1
  Al  Al5  1  0.644986  0.999867  0.295047  1
  Al  Al6  1  0.532563  0.283598  0.325544  1
  Al  Al7  1  0.055811  0.646268  0.305017  1
  Al  Al8  1  0.941520  0.933469  0.337294  1
  Al  Al9  1  0.172067  0.374995  0.276326  1
  Al  Al10  1  0.790833  0.470031  0.314517  1
  Al  Al11  1  0.676400  0.751185  0.347330  1
  Al  Al12  1  0.911568  0.176362  0.282759  1
  Al  Al13  1  0.913762  0.568192  0.356318  1
  Al  Al14  1  0.145496  0.999137  0.295191  1
  Al  Al15  1  0.033295  0.281160  0.325816  1
  Al  Al16  1  0.556897  0.649380  0.304883  1
  Al  Al17  1  0.441069  0.934144  0.337367  1
  Al  Al18  1  0.677296  0.370302  0.275407  1
  Al  Al19  1  0.947716  0.315270  0.406165  1
  Al  Al20  1  0.833149  0.596576  0.437126  1
  Al  Al21  1  0.062039  0.032907  0.376280  1
  Al  Al22  1  0.068206  0.414037  0.446571  1
  Al  Al23  1  0.299254  0.849203  0.386028  1
  Al  Al24  1  0.182942  0.132002  0.416435  1
  Al  Al25  1  0.713552  0.497054  0.396467  1
  Al  Al26  1  0.596693  0.780127  0.427577  1
  Al  Al27  1  0.828523  0.215975  0.366101  1
  Al  Al28  1  0.447825  0.314669  0.406538  1
  Al  Al29  1  0.333451  0.596433  0.436929  1
  Al  Al30  1  0.562337  0.033381  0.376191  1
  Al  Al31  1  0.568312  0.414100  0.446402  1
  Al  Al32  1  0.799463  0.849668  0.386085  1
  Al  Al33  1  0.683022  0.132359  0.416314  1
  Al  Al34  1  0.213393  0.497155  0.396983  1
  Al  Al35  1  0.097058  0.779821  0.427422  1
  Al  Al36  1  0.328902  0.214758  0.366370  1
  Al  Al37  1  0.601289  0.161446  0.497538  1
  Al  Al38  1  0.485809  0.443381  0.527894  1
  Al  Al39  1  0.716941  0.879357  0.467313  1
  Al  Al40  1  0.721576  0.260623  0.537472  1
  Al  Al41  1  0.952876  0.696255  0.476911  1
  Al  Al42  1  0.837209  0.978480  0.507219  1
  Al  Al43  1  0.365559  0.344130  0.487963  1
  Al  Al44  1  0.249801  0.626674  0.518261  1
  Al  Al45  1  0.481149  0.062097  0.457726  1
  Al  Al46  1  0.101100  0.161663  0.497447  1
  Al  Al47  1  0.985744  0.443288  0.527941  1
  Al  Al48  1  0.216987  0.879229  0.467233  1
  Al  Al49  1  0.221411  0.260862  0.537472  1
  Al  Al50  1  0.452968  0.695957  0.476794  1
  Al  Al51  1  0.337072  0.978530  0.507178  1
  Al  Al52  1  0.865481  0.344193  0.487858  1
  Al  Al53  1  0.749837  0.626463  0.518249  1
  Al  Al54  1  0.981056  0.062363  0.457613  1
  Al  Al55  1  0.254146  0.008667  0.588260  1
  Al  Al56  1  0.140331  0.289051  0.619102  1
  Al  Al57  1  0.369270  0.726128  0.558298  1
  Al  Al58  1  0.373650  0.108354  0.628805  1
  Al  Al59  1  0.605482  0.542950  0.567715  1
  Al  Al60  1  0.489458  0.825250  0.598021  1
  Al  Al61  1  0.019640  0.190071  0.578850  1
  Al  Al62  1  0.903659  0.472942  0.609045  1
  Al  Al63  1  0.134137  0.908959  0.548751  1
  Al  Al64  1  0.754094  0.008354  0.588451  1
  Al  Al65  1  0.640565  0.289488  0.618979  1
  Al  Al66  1  0.869587  0.725900  0.558245  1
  Al  Al67  1  0.873971  0.107637  0.628959  1
  Al  Al68  1  0.105722  0.542695  0.567702  1
  Al  Al69  1  0.989526  0.825204  0.598317  1
  Al  Al70  1  0.519541  0.190585  0.578788  1
  Al  Al71  1  0.403902  0.472913  0.608937  1
  Al  Al72  1  0.634244  0.908886  0.548658  1
  Al  Al73  1  0.909760  0.856487  0.678090  1
  Al  Al74  1  0.790087  0.143133  0.712683  1
  Al  Al75  1  0.024031  0.572184  0.648836  1
  Al  Al76  1  0.025632  0.959361  0.720005  1
  Al  Al77  1  0.260839  0.388891  0.658038  1
  Al  Al78  1  0.149828  0.668898  0.688573  1
  Al  Al79  1  0.670660  0.039284  0.669672  1
  Al  Al80  1  0.557240  0.323138  0.700067  1
  Al  Al81  1  0.788364  0.755113  0.639393  1
  Al  Al82  1  0.411249  0.856899  0.677665  1
  Al  Al83  1  0.291359  0.141652  0.712636  1
  Al  Al84  1  0.524036  0.572816  0.648903  1
  Al  Al85  1  0.527841  0.954636  0.719269  1
  Al  Al86  1  0.760877  0.389204  0.657960  1
  Al  Al87  1  0.647891  0.672029  0.688674  1
  Al  Al88  1  0.170874  0.037190  0.669898  1
  Al  Al89  1  0.057345  0.323231  0.700134  1
  Al  Al90  1  0.287194  0.755983  0.639926  1
  Ni  Ni91  1  0.124497  0.389983  0.361479  1
  Ni  Ni92  1  0.347562  0.826323  0.300858  1
  Ni  Ni93  1  0.237363  0.107684  0.331035  1
  Ni  Ni94  1  0.873469  0.392358  0.360058  1
  Ni  Ni95  1  0.098066  0.824202  0.301404  1
  Ni  Ni96  1  0.986955  0.108067  0.330241  1
  Ni  Ni97  1  0.539471  0.468180  0.315144  1
  Ni  Ni98  1  0.428690  0.749964  0.345847  1
  Ni  Ni99  1  0.659564  0.184458  0.285320  1
  Ni  Ni100  1  0.312501  0.644601  0.309562  1
  Ni  Ni101  1  0.199210  0.925841  0.340841  1
  Ni  Ni102  1  0.433736  0.360455  0.280656  1
  Ni  Ni103  1  0.155629  0.574264  0.351798  1
  Ni  Ni104  1  0.389725  0.004570  0.291496  1
  Ni  Ni105  1  0.276339  0.288818  0.320676  1
  Ni  Ni106  1  0.935923  0.539512  0.273862  1
  Ni  Ni107  1  0.847815  0.825918  0.300731  1
  Ni  Ni108  1  0.737281  0.108447  0.330849  1
  Ni  Ni109  1  0.373261  0.391152  0.360906  1
  Ni  Ni110  1  0.598451  0.825664  0.301697  1
  Ni  Ni111  1  0.487138  0.109308  0.330064  1
  Ni  Ni112  1  0.039849  0.464661  0.317471  1
  Ni  Ni113  1  0.929382  0.750004  0.345925  1
  Ni  Ni114  1  0.161026  0.184236  0.285303  1
  Ni  Ni115  1  0.809685  0.648307  0.311779  1
  Ni  Ni116  1  0.699438  0.926560  0.340742  1
  Ni  Ni117  1  0.936570  0.352453  0.280922  1
  Ni  Ni118  1  0.657041  0.574218  0.351144  1
  Ni  Ni119  1  0.889742  0.003065  0.291514  1
  Ni  Ni120  1  0.777076  0.289617  0.320314  1
  Ni  Ni121  1  0.774279  0.238221  0.452030  1
  Ni  Ni122  1  0.005938  0.673934  0.391546  1
  Ni  Ni123  1  0.890173  0.956143  0.421900  1
  Ni  Ni124  1  0.524273  0.238206  0.452105  1
  Ni  Ni125  1  0.755541  0.673462  0.392082  1
  Ni  Ni126  1  0.640110  0.956339  0.421804  1
  Ni  Ni127  1  0.198358  0.314078  0.406745  1
  Ni  Ni128  1  0.083200  0.596884  0.436908  1
  Ni  Ni129  1  0.311761  0.032664  0.376841  1
  Ni  Ni130  1  0.970542  0.490789  0.401076  1
  Ni  Ni131  1  0.854286  0.773254  0.431411  1
  Ni  Ni132  1  0.085996  0.207898  0.370804  1
  Ni  Ni133  1  0.811047  0.420472  0.442380  1
  Ni  Ni134  1  0.042061  0.856262  0.382213  1
  Ni  Ni135  1  0.925655  0.139167  0.412180  1
  Ni  Ni136  1  0.623687  0.391524  0.360407  1
  Ni  Ni137  1  0.506400  0.673747  0.391182  1
  Ni  Ni138  1  0.389809  0.955900  0.422112  1
  Ni  Ni139  1  0.024148  0.238509  0.451946  1
  Ni  Ni140  1  0.256394  0.673065  0.391612  1
  Ni  Ni141  1  0.140099  0.956046  0.421756  1
  Ni  Ni142  1  0.697936  0.314776  0.406325  1
  Ni  Ni143  1  0.583577  0.596854  0.436587  1
  Ni  Ni144  1  0.811993  0.033295  0.376612  1
  Ni  Ni145  1  0.470846  0.490636  0.400697  1
  Ni  Ni146  1  0.354454  0.772886  0.431271  1
  Ni  Ni147  1  0.585822  0.208891  0.370615  1
  Ni  Ni148  1  0.311007  0.420429  0.442623  1
  Ni  Ni149  1  0.540855  0.857354  0.382556  1
  Ni  Ni150  1  0.425857  0.138537  0.412337  1
  Ni  Ni151  1  0.428172  0.084604  0.543124  1
  Ni  Ni152  1  0.659076  0.520349  0.482217  1
  Ni  Ni153  1  0.543599  0.802456  0.512735  1
  Ni  Ni154  1  0.178277  0.084948  0.542840  1
  Ni  Ni155  1  0.409086  0.520029  0.482445  1
  Ni  Ni156  1  0.293561  0.802595  0.512725  1
  Ni  Ni157  1  0.851272  0.161281  0.497618  1
  Ni  Ni158  1  0.735664  0.443648  0.527731  1
  Ni  Ni159  1  0.967042  0.879283  0.467309  1
  Ni  Ni160  1  0.622799  0.337757  0.491825  1
  Ni  Ni161  1  0.506995  0.619913  0.522194  1
  Ni  Ni162  1  0.738443  0.055600  0.461606  1
  Ni  Ni163  1  0.464292  0.267158  0.533513  1
  Ni  Ni164  1  0.695542  0.702934  0.472977  1
  Ni  Ni165  1  0.579792  0.985132  0.503305  1
  Ni  Ni166  1  0.274447  0.237926  0.452211  1
  Ni  Ni167  1  0.159026  0.520351  0.482373  1
  Ni  Ni168  1  0.043612  0.802563  0.512762  1
  Ni  Ni169  1  0.678309  0.084732  0.542956  1
  Ni  Ni170  1  0.909081  0.520065  0.482500  1
  Ni  Ni171  1  0.793538  0.802529  0.512776  1
  Ni  Ni172  1  0.351219  0.161291  0.497656  1
  Ni  Ni173  1  0.235735  0.443751  0.527759  1
  Ni  Ni174  1  0.466876  0.879096  0.467408  1
  Ni  Ni175  1  0.122729  0.337800  0.491893  1
  Ni  Ni176  1  0.007098  0.619847  0.522232  1
  Ni  Ni177  1  0.238293  0.055493  0.461661  1
  Ni  Ni178  1  0.964271  0.267012  0.533519  1
  Ni  Ni179  1  0.195684  0.702833  0.472915  1
  Ni  Ni180  1  0.079797  0.985197  0.503278  1
  Ni  Ni181  1  0.079087  0.930191  0.635353  1
  Ni  Ni182  1  0.312573  0.366999  0.573111  1
  Ni  Ni183  1  0.196746  0.649130  0.603500  1
  Ni  Ni184  1  0.828853  0.932252  0.633812  1
  Ni  Ni185  1  0.062574  0.366247  0.573467  1
  Ni  Ni186  1  0.946784  0.648927  0.603555  1
  Ni  Ni187  1  0.503756  0.008204  0.588724  1
  Ni  Ni188  1  0.390554  0.290226  0.618397  1
  Ni  Ni189  1  0.619640  0.725917  0.558135  1
  Ni  Ni190  1  0.276578  0.184518  0.582847  1
  Ni  Ni191  1  0.161007  0.465936  0.612923  1
  Ni  Ni192  1  0.391633  0.902118  0.552458  1
  Ni  Ni193  1  0.117044  0.113213  0.624632  1
  Ni  Ni194  1  0.348377  0.549685  0.563750  1
  Ni  Ni195  1  0.231650  0.832327  0.594516  1
  Ni  Ni196  1  0.928338  0.084292  0.543249  1
  Ni  Ni197  1  0.812551  0.366844  0.573140  1
  Ni  Ni198  1  0.696717  0.649022  0.603458  1
  Ni  Ni199  1  0.329182  0.932748  0.633481  1
  Ni  Ni200  1  0.562738  0.366466  0.573375  1
  Ni  Ni201  1  0.446083  0.649350  0.603718  1
  Ni  Ni202  1  0.004139  0.007429  0.589149  1
  Ni  Ni203  1  0.890604  0.289901  0.618407  1
  Ni  Ni204  1  0.119448  0.726004  0.558245  1
  Ni  Ni205  1  0.776741  0.184144  0.582905  1
  Ni  Ni206  1  0.660838  0.466310  0.612930  1
  Ni  Ni207  1  0.891667  0.902015  0.552597  1
  Ni  Ni208  1  0.616803  0.114230  0.624471  1
  Ni  Ni209  1  0.848391  0.549481  0.563773  1
  Ni  Ni210  1  0.731948  0.832108  0.594239  1
  Ni  Ni211  1  0.734091  0.778323  0.723770  1
  Ni  Ni212  1  0.965560  0.214785  0.664007  1
  Ni  Ni213  1  0.854591  0.497357  0.694373  1
  Ni  Ni214  1  0.473663  0.778769  0.723224  1
  Ni  Ni215  1  0.715566  0.213727  0.665142  1
  Ni  Ni216  1  0.604467  0.497329  0.694168  1
  Ni  Ni217  1  0.160228  0.852053  0.681488  1
  Ni  Ni218  1  0.042468  0.140382  0.709528  1
  Ni  Ni219  1  0.275371  0.571692  0.648568  1
  Ni  Ni220  1  0.925574  0.034747  0.674751  1
  Ni  Ni221  1  0.813091  0.318188  0.703663  1
  Ni  Ni222  1  0.046470  0.747323  0.643321  1
  Ni  Ni223  1  0.771546  0.960299  0.714699  1
  Ni  Ni224  1  0.003219  0.396143  0.654457  1
  Ni  Ni225  1  0.891108  0.678417  0.685336  1
  Ni  Ni226  1  0.578458  0.931936  0.634192  1
  Ni  Ni227  1  0.465374  0.214852  0.664074  1
  Ni  Ni228  1  0.355123  0.496661  0.694257  1
  Ni  Ni229  1  0.988839  0.780535  0.722514  1
  Ni  Ni230  1  0.215389  0.212804  0.665289  1
  Ni  Ni231  1  0.103677  0.496496  0.694246  1
  Ni  Ni232  1  0.659770  0.856183  0.678834  1
  Ni  Ni233  1  0.542484  0.138744  0.709703  1
  Ni  Ni234  1  0.774665  0.572259  0.648825  1
  Ni  Ni235  1  0.426130  0.034495  0.674499  1
  Ni  Ni236  1  0.313273  0.317489  0.703757  1
  Ni  Ni237  1  0.546656  0.747921  0.643080  1
  Ni  Ni238  1  0.271887  0.959012  0.714861  1
  Ni  Ni239  1  0.503385  0.396339  0.654372  1
  Ni  Ni240  1  0.390359  0.678558  0.685628  1
