# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02733584
_cell_length_b   13.94299035
_cell_length_c   52.13677000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al72 Ni120'
_cell_volume   4381.52647436
_cell_formula_units_Z   24
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  0.970438  0.973706  0.262082  1
  Al  Al2  1  0.991792  0.437702  0.345329  1
  Al  Al3  1  0.078908  0.204493  0.304287  1
  Al  Al4  1  1.022734  0.639769  0.332357  1
  Al  Al5  1  0.028776  0.401756  0.292927  1
  Al  Al6  1  1.025362  0.176581  0.250932  1
  Al  Al7  1  1.025495  0.773878  0.284423  1
  Al  Al8  1  1.025634  0.238524  0.359664  1
  Al  Al9  1  0.030009  0.006154  0.317682  1
  Al  Al10  1  0.487490  0.822360  0.325023  1
  Al  Al11  1  0.495321  0.578615  0.278809  1
  Al  Al12  1  0.568174  0.365121  0.244450  1
  Al  Al13  1  0.525912  0.785551  0.271882  1
  Al  Al14  1  0.531425  0.253534  0.353883  1
  Al  Al15  1  0.523211  0.023237  0.311589  1
  Al  Al16  1  0.524858  0.619620  0.339825  1
  Al  Al17  1  0.526594  0.389751  0.297030  1
  Al  Al18  1  0.526440  0.157467  0.256829  1
  Al  Al19  1  0.991501  0.674304  0.388405  1
  Al  Al20  1  0.985404  0.136513  0.471861  1
  Al  Al21  1  0.079930  0.904876  0.430148  1
  Al  Al22  1  1.020114  0.337023  0.458642  1
  Al  Al23  1  0.032170  0.104018  0.416577  1
  Al  Al24  1  0.026629  0.872047  0.374898  1
  Al  Al25  1  1.022263  0.471584  0.401773  1
  Al  Al26  1  1.024834  0.937640  0.485765  1
  Al  Al27  1  0.032833  0.705400  0.443694  1
  Al  Al28  1  0.496290  0.522691  0.451152  1
  Al  Al29  1  0.488691  0.286702  0.408694  1
  Al  Al30  1  0.579824  0.055018  0.367053  1
  Al  Al31  1  0.520074  0.487449  0.395671  1
  Al  Al32  1  0.531359  0.953769  0.479408  1
  Al  Al33  1  0.527414  0.720828  0.437661  1
  Al  Al34  1  0.522039  0.321530  0.464408  1
  Al  Al35  1  0.525508  0.088392  0.422761  1
  Al  Al36  1  0.533014  0.855751  0.380718  1
  Al  Al37  1  1.006069  0.371678  0.513975  1
  Al  Al38  1  0.973974  0.835529  0.598049  1
  Al  Al39  1  0.077682  0.603949  0.555799  1
  Al  Al40  1  1.018805  0.034930  0.584461  1
  Al  Al41  1  0.030342  0.803268  0.542168  1
  Al  Al42  1  0.027734  0.570338  0.500539  1
  Al  Al43  1  1.022812  0.170822  0.527258  1
  Al  Al44  1  1.021363  0.636326  0.611538  1
  Al  Al45  1  0.031056  0.404151  0.569244  1
  Al  Al46  1  0.525829  0.219469  0.576816  1
  Al  Al47  1  0.479407  0.985927  0.534892  1
  Al  Al48  1  0.579609  0.754245  0.493014  1
  Al  Al49  1  0.519840  0.186110  0.521542  1
  Al  Al50  1  0.528861  0.652724  0.604914  1
  Al  Al51  1  0.528523  0.419296  0.563476  1
  Al  Al52  1  0.524265  0.019123  0.590154  1
  Al  Al53  1  0.522981  0.786807  0.548703  1
  Al  Al54  1  0.532579  0.554847  0.506512  1
  Al  Al55  1  0.047069  0.068379  0.640030  1
  Al  Al56  1  0.973661  0.537262  0.723118  1
  Al  Al57  1  0.066766  0.304521  0.679771  1
  Al  Al58  1  1.025772  0.729171  0.706910  1
  Al  Al59  1  0.026515  0.502509  0.667706  1
  Al  Al60  1  0.029608  0.266469  0.626484  1
  Al  Al61  1  1.025784  0.867007  0.652991  1
  Al  Al62  1  0.026847  0.334842  0.733762  1
  Al  Al63  1  1.023170  0.104665  0.692018  1
  Al  Al64  1  0.558337  0.919895  0.703728  1
  Al  Al65  1  0.472339  0.684741  0.660994  1
  Al  Al66  1  0.572132  0.453830  0.618421  1
  Al  Al67  1  0.519471  0.883981  0.647373  1
  Al  Al68  1  0.524564  0.345661  0.727765  1
  Al  Al69  1  0.534801  0.114072  0.692216  1
  Al  Al70  1  0.528030  0.717331  0.716086  1
  Al  Al71  1  0.521758  0.482766  0.673169  1
  Al  Al72  1  0.526665  0.253657  0.631822  1
  Ni  Ni73  1  0.547789  0.969338  0.264201  1
  Ni  Ni74  1  0.552682  0.436398  0.345800  1
  Ni  Ni75  1  0.497726  0.204401  0.303573  1
  Ni  Ni76  1  0.273028  0.906550  0.291074  1
  Ni  Ni77  1  0.222247  0.678477  0.255010  1
  Ni  Ni78  1  0.283902  0.124015  0.338933  1
  Ni  Ni79  1  0.276643  0.740463  0.359419  1
  Ni  Ni80  1  0.282017  0.510121  0.316868  1
  Ni  Ni81  1  0.281755  0.290430  0.270853  1
  Ni  Ni82  1  0.225784  0.850795  0.248902  1
  Ni  Ni83  1  0.261933  0.329870  0.327466  1
  Ni  Ni84  1  0.250262  0.075254  0.280774  1
  Ni  Ni85  1  0.842750  0.822731  0.246875  1
  Ni  Ni86  1  0.797626  0.309164  0.323232  1
  Ni  Ni87  1  0.801137  0.100377  0.285923  1
  Ni  Ni88  1  0.060358  0.828266  0.327977  1
  Ni  Ni89  1  0.056243  0.584253  0.285714  1
  Ni  Ni90  1  0.988461  0.352082  0.247076  1
  Ni  Ni91  1  0.771031  0.752158  0.354007  1
  Ni  Ni92  1  0.766591  0.520787  0.311390  1
  Ni  Ni93  1  0.778090  0.273805  0.277211  1
  Ni  Ni94  1  0.766351  0.895160  0.296229  1
  Ni  Ni95  1  0.814263  0.660709  0.258810  1
  Ni  Ni96  1  0.783178  0.136817  0.332261  1
  Ni  Ni97  1  0.725681  0.693423  0.304038  1
  Ni  Ni98  1  0.810519  0.487074  0.263071  1
  Ni  Ni99  1  0.756181  0.928378  0.343905  1
  Ni  Ni100  1  0.314907  0.692190  0.304415  1
  Ni  Ni101  1  0.243019  0.467025  0.259304  1
  Ni  Ni102  1  0.303268  0.949564  0.348447  1
  Ni  Ni103  1  0.551402  0.672467  0.388566  1
  Ni  Ni104  1  0.549302  0.137162  0.471853  1
  Ni  Ni105  1  0.503079  0.904690  0.430174  1
  Ni  Ni106  1  0.271708  0.601219  0.417202  1
  Ni  Ni107  1  0.271310  0.369398  0.374864  1
  Ni  Ni108  1  0.284937  0.823141  0.464762  1
  Ni  Ni109  1  0.275071  0.441994  0.484233  1
  Ni  Ni110  1  0.270508  0.208152  0.443220  1
  Ni  Ni111  1  0.286142  0.986233  0.395466  1
  Ni  Ni112  1  0.239234  0.555098  0.367398  1
  Ni  Ni113  1  0.256621  0.031479  0.453421  1
  Ni  Ni114  1  0.260685  0.778780  0.407117  1
  Ni  Ni115  1  0.793019  0.553564  0.367827  1
  Ni  Ni116  1  0.802119  0.009904  0.448684  1
  Ni  Ni117  1  0.801994  0.799510  0.411679  1
  Ni  Ni118  1  0.047693  0.522168  0.451313  1
  Ni  Ni119  1  0.049539  0.287084  0.408820  1
  Ni  Ni120  1  1.002451  0.054789  0.367052  1
  Ni  Ni121  1  0.772608  0.449625  0.480632  1
  Ni  Ni122  1  0.771975  0.218731  0.437900  1
  Ni  Ni123  1  0.784278  0.974039  0.401916  1
  Ni  Ni124  1  0.774605  0.591233  0.421827  1
  Ni  Ni125  1  0.773033  0.358966  0.380006  1
  Ni  Ni126  1  0.785482  0.835719  0.458425  1
  Ni  Ni127  1  0.743500  0.403494  0.429862  1
  Ni  Ni128  1  0.758577  0.181017  0.390390  1
  Ni  Ni129  1  0.760674  0.628392  0.470077  1
  Ni  Ni130  1  0.287588  0.404753  0.430430  1
  Ni  Ni131  1  0.301261  0.159863  0.385723  1
  Ni  Ni132  1  0.303104  0.647863  0.474294  1
  Ni  Ni133  1  0.541151  0.371328  0.514123  1
  Ni  Ni134  1  0.549563  0.836212  0.597914  1
  Ni  Ni135  1  0.502462  0.603130  0.555877  1
  Ni  Ni136  1  0.274217  0.296634  0.544647  1
  Ni  Ni137  1  0.271255  0.068326  0.500671  1
  Ni  Ni138  1  0.281174  0.521802  0.590232  1
  Ni  Ni139  1  0.276805  0.144371  0.607485  1
  Ni  Ni140  1  0.266944  0.905470  0.569513  1
  Ni  Ni141  1  0.285315  0.684946  0.521242  1
  Ni  Ni142  1  0.245672  0.251670  0.492434  1
  Ni  Ni143  1  0.250562  0.731460  0.579396  1
  Ni  Ni144  1  0.262309  0.478809  0.533247  1
  Ni  Ni145  1  0.786535  0.256143  0.493564  1
  Ni  Ni146  1  0.801271  0.708385  0.574260  1
  Ni  Ni147  1  0.803174  0.495963  0.536841  1
  Ni  Ni148  1  1.025591  0.219198  0.576892  1
  Ni  Ni149  1  0.049416  0.986868  0.534862  1
  Ni  Ni150  1  1.003055  0.753914  0.493024  1
  Ni  Ni151  1  0.775329  0.142086  0.609178  1
  Ni  Ni152  1  0.770225  0.917304  0.563328  1
  Ni  Ni153  1  0.783759  0.672495  0.527593  1
  Ni  Ni154  1  0.775779  0.293354  0.546085  1
  Ni  Ni155  1  0.768979  0.056903  0.506371  1
  Ni  Ni156  1  0.784751  0.534331  0.584079  1
  Ni  Ni157  1  0.747661  0.097214  0.554564  1
  Ni  Ni158  1  0.753764  0.881484  0.516413  1
  Ni  Ni159  1  0.765049  0.330234  0.596819  1
  Ni  Ni160  1  0.287121  0.108091  0.557085  1
  Ni  Ni161  1  0.302089  0.858834  0.511468  1
  Ni  Ni162  1  0.302008  0.341826  0.598891  1
  Ni  Ni163  1  0.510746  0.067505  0.639724  1
  Ni  Ni164  1  0.555850  0.523516  0.718801  1
  Ni  Ni165  1  0.502384  0.303226  0.681936  1
  Ni  Ni166  1  0.285717  0.990267  0.673445  1
  Ni  Ni167  1  0.269910  0.766162  0.626121  1
  Ni  Ni168  1  0.270110  0.220409  0.712210  1
  Ni  Ni169  1  0.240969  0.853267  0.727493  1
  Ni  Ni170  1  0.277162  0.599626  0.694887  1
  Ni  Ni171  1  0.282172  0.383892  0.646451  1
  Ni  Ni172  1  0.248741  0.943708  0.616973  1
  Ni  Ni173  1  0.246942  0.429341  0.703644  1
  Ni  Ni174  1  0.280531  0.180351  0.661699  1
  Ni  Ni175  1  0.790354  0.960768  0.620733  1
  Ni  Ni176  1  0.801948  0.408863  0.699526  1
  Ni  Ni177  1  0.789008  0.188615  0.661420  1
  Ni  Ni178  1  1.005064  0.914197  0.697650  1
  Ni  Ni179  1  0.049721  0.684166  0.660840  1
  Ni  Ni180  1  1.001027  0.452404  0.618702  1
  Ni  Ni181  1  0.828870  0.848670  0.731041  1
  Ni  Ni182  1  0.760685  0.613579  0.688557  1
  Ni  Ni183  1  0.778679  0.370469  0.652344  1
  Ni  Ni184  1  0.769887  -0.003362  0.669300  1
  Ni  Ni185  1  0.765469  0.753720  0.632742  1
  Ni  Ni186  1  0.789162  0.235075  0.707795  1
  Ni  Ni187  1  0.742297  0.793438  0.680396  1
  Ni  Ni188  1  0.748634  0.580747  0.642042  1
  Ni  Ni189  1  0.830630  0.020362  0.723994  1
  Ni  Ni190  1  0.303490  0.812922  0.683872  1
  Ni  Ni191  1  0.298678  0.558521  0.637161  1
  Ni  Ni192  1  0.249046  0.016805  0.719855  1
