# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.30953546
_cell_length_b   7.28738026
_cell_length_c   47.55259469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.77896274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5336.74917533
_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  0.540035  0.665609  0.316532  1
  Al  Al2  1  0.060857  0.974067  0.279689  1
  Al  Al3  1  0.692364  0.419566  0.292413  1
  Al  Al4  1  0.171490  0.065376  0.325932  1
  Al  Al5  1  0.429930  0.602947  0.273869  1
  Al  Al6  1  0.910776  0.257050  0.306726  1
  Al  Al7  1  0.278397  0.486277  0.332685  1
  Al  Al8  1  0.799666  0.843531  0.295627  1
  Al  Al9  1  0.430170  0.247316  0.307405  1
  Al  Al10  1  0.961660  0.582326  0.275057  1
  Al  Al11  1  0.647505  0.086166  0.323816  1
  Al  Al12  1  0.163408  0.441459  0.288857  1
  Al  Al13  1  0.495819  0.965098  0.382360  1
  Al  Al14  1  0.017485  0.313808  0.349243  1
  Al  Al15  1  0.649130  0.719754  0.357574  1
  Al  Al16  1  0.126889  0.368528  0.391375  1
  Al  Al17  1  0.386854  0.912410  0.340143  1
  Al  Al18  1  0.865682  0.560924  0.372702  1
  Al  Al19  1  0.235275  0.788578  0.399457  1
  Al  Al20  1  0.756897  0.136769  0.366290  1
  Al  Al21  1  0.387853  0.543396  0.375121  1
  Al  Al22  1  0.909455  0.892184  0.342275  1
  Al  Al23  1  0.605155  0.384905  0.390148  1
  Al  Al24  1  0.126773  0.734416  0.356901  1
  Al  Al25  1  0.452694  0.264819  0.449187  1
  Al  Al26  1  0.974535  0.614128  0.415798  1
  Al  Al27  1  0.604678  0.019423  0.424905  1
  Al  Al28  1  0.082784  0.669899  0.458229  1
  Al  Al29  1  0.344298  0.210283  0.406463  1
  Al  Al30  1  0.822272  0.860174  0.440097  1
  Al  Al31  1  0.191742  0.090358  0.465766  1
  Al  Al32  1  0.713531  0.440443  0.432292  1
  Al  Al33  1  0.343819  0.844616  0.441602  1
  Al  Al34  1  0.865570  0.194381  0.408121  1
  Al  Al35  1  0.561449  0.685760  0.456574  1
  Al  Al36  1  0.083165  0.035413  0.423384  1
  Al  Al37  1  0.408918  0.565765  0.515868  1
  Al  Al38  1  0.930623  0.915519  0.482429  1
  Al  Al39  1  0.561053  0.320093  0.491608  1
  Al  Al40  1  0.039034  0.970534  0.524873  1
  Al  Al41  1  0.300498  0.510645  0.473450  1
  Al  Al42  1  0.778418  0.161127  0.506677  1
  Al  Al43  1  0.147863  0.390893  0.532463  1
  Al  Al44  1  0.669777  0.740595  0.499103  1
  Al  Al45  1  0.300065  0.145380  0.508230  1
  Al  Al46  1  0.821911  0.495079  0.474727  1
  Al  Al47  1  0.517541  0.986160  0.523506  1
  Al  Al48  1  0.039471  0.335799  0.490048  1
  Al  Al49  1  0.364798  0.866650  0.582664  1
  Al  Al50  1  0.886843  0.216002  0.549167  1
  Al  Al51  1  0.517182  0.621122  0.558213  1
  Al  Al52  1  0.995260  0.270764  0.591780  1
  Al  Al53  1  0.256695  0.811274  0.540152  1
  Al  Al54  1  0.734865  0.461609  0.573375  1
  Al  Al55  1  0.104058  0.692408  0.598996  1
  Al  Al56  1  0.625864  0.040852  0.565963  1
  Al  Al57  1  0.256391  0.446108  0.574816  1
  Al  Al58  1  0.778063  0.795501  0.541614  1
  Al  Al59  1  0.473971  0.286931  0.590202  1
  Al  Al60  1  0.995740  0.636555  0.556594  1
  Al  Al61  1  0.321449  0.169323  0.648679  1
  Al  Al62  1  0.843508  0.516001  0.615821  1
  Al  Al63  1  0.473478  0.921212  0.625336  1
  Al  Al64  1  0.952345  0.569870  0.657562  1
  Al  Al65  1  0.212812  0.112176  0.606942  1
  Al  Al66  1  0.690584  0.761425  0.640455  1
  Al  Al67  1  0.060746  0.992953  0.665741  1
  Al  Al68  1  0.582143  0.343813  0.632211  1
  Al  Al69  1  0.212668  0.746085  0.641748  1
  Al  Al70  1  0.734161  0.096629  0.608140  1
  Al  Al71  1  0.430151  0.588396  0.656538  1
  Al  Al72  1  0.951836  0.937130  0.623448  1
  Al  Al73  1  0.279422  0.510685  0.718281  1
  Al  Al74  1  0.798616  0.820214  0.681249  1
  Al  Al75  1  0.428958  0.224068  0.691858  1
  Al  Al76  1  0.909663  0.874935  0.725063  1
  Al  Al77  1  0.168775  0.414928  0.672347  1
  Al  Al78  1  0.646908  0.061749  0.706148  1
  Al  Al79  1  0.017081  0.331020  0.733569  1
  Al  Al80  1  0.539829  0.649526  0.700553  1
  Al  Al81  1  0.174709  0.041098  0.709612  1
  Al  Al82  1  0.691773  0.394667  0.674304  1
  Al  Al83  1  0.379160  0.896094  0.723028  1
  Al  Al84  1  0.909362  0.233444  0.691008  1
  Ni  Ni85  1  0.556662  0.020077  0.283101  1
  Ni  Ni86  1  0.041358  0.662177  0.316180  1
  Ni  Ni87  1  0.429267  0.926311  0.290733  1
  Ni  Ni88  1  0.909022  0.579813  0.323299  1
  Ni  Ni89  1  0.671148  0.756546  0.306082  1
  Ni  Ni90  1  0.189469  0.089935  0.275860  1
  Ni  Ni91  1  0.571932  0.675603  0.268277  1
  Ni  Ni92  1  0.051510  0.304218  0.301040  1
  Ni  Ni93  1  0.553138  0.358640  0.297025  1
  Ni  Ni94  1  0.030741  0.003103  0.330379  1
  Ni  Ni95  1  0.301719  0.833272  0.300392  1
  Ni  Ni96  1  0.821121  0.184883  0.268160  1
  Ni  Ni97  1  0.685713  0.107436  0.274532  1
  Ni  Ni98  1  0.172162  0.751300  0.307899  1
  Ni  Ni99  1  0.409835  0.574018  0.324777  1
  Ni  Ni100  1  0.929279  0.920113  0.292702  1
  Ni  Ni101  1  0.305010  0.496748  0.283920  1
  Ni  Ni102  1  0.788568  0.145137  0.318263  1
  Ni  Ni103  1  0.290220  0.181412  0.311837  1
  Ni  Ni104  1  0.814211  0.526197  0.280649  1
  Ni  Ni105  1  0.518643  0.314808  0.349080  1
  Ni  Ni106  1  0.996533  0.964945  0.382351  1
  Ni  Ni107  1  0.388257  0.228699  0.356940  1
  Ni  Ni108  1  0.866142  0.875722  0.390985  1
  Ni  Ni109  1  0.626277  0.051520  0.374165  1
  Ni  Ni110  1  0.148559  0.399587  0.340545  1
  Ni  Ni111  1  0.527111  0.975536  0.334074  1
  Ni  Ni112  1  0.006587  0.622648  0.367271  1
  Ni  Ni113  1  0.508120  0.654939  0.364508  1
  Ni  Ni114  1  0.986034  0.305016  0.397594  1
  Ni  Ni115  1  0.258186  0.140948  0.365275  1
  Ni  Ni116  1  0.779002  0.489810  0.332213  1
  Ni  Ni117  1  0.648971  0.400476  0.341147  1
  Ni  Ni118  1  0.127197  0.051377  0.374325  1
  Ni  Ni119  1  0.365511  0.876966  0.390860  1
  Ni  Ni120  1  0.887235  0.226022  0.357349  1
  Ni  Ni121  1  0.267794  0.795857  0.351213  1
  Ni  Ni122  1  0.745386  0.449717  0.383681  1
  Ni  Ni123  1  0.247206  0.479595  0.381029  1
  Ni  Ni124  1  0.769609  0.830343  0.346218  1
  Ni  Ni125  1  0.474687  0.614954  0.415843  1
  Ni  Ni126  1  0.952379  0.265694  0.449015  1
  Ni  Ni127  1  0.344201  0.526735  0.424274  1
  Ni  Ni128  1  0.821996  0.177736  0.457426  1
  Ni  Ni129  1  0.583125  0.352195  0.440881  1
  Ni  Ni130  1  0.104675  0.701967  0.407514  1
  Ni  Ni131  1  0.484586  0.274435  0.400603  1
  Ni  Ni132  1  0.962523  0.925003  0.433866  1
  Ni  Ni133  1  0.464365  0.955237  0.430953  1
  Ni  Ni134  1  0.942574  0.605205  0.464339  1
  Ni  Ni135  1  0.213537  0.440080  0.432424  1
  Ni  Ni136  1  0.735584  0.790660  0.398612  1
  Ni  Ni137  1  0.605225  0.703352  0.407135  1
  Ni  Ni138  1  0.083151  0.352502  0.440746  1
  Ni  Ni139  1  0.322162  0.178068  0.457378  1
  Ni  Ni140  1  0.843849  0.528435  0.423762  1
  Ni  Ni141  1  0.223750  0.099919  0.417113  1
  Ni  Ni142  1  0.701694  0.750210  0.450414  1
  Ni  Ni143  1  0.203440  0.779997  0.447833  1
  Ni  Ni144  1  0.725262  0.129433  0.414568  1
  Ni  Ni145  1  0.430604  0.915704  0.482463  1
  Ni  Ni146  1  0.908877  0.565455  0.515799  1
  Ni  Ni147  1  0.300242  0.827928  0.490877  1
  Ni  Ni148  1  0.778395  0.478426  0.524075  1
  Ni  Ni149  1  0.539272  0.653669  0.507404  1
  Ni  Ni150  1  0.061083  0.003135  0.474112  1
  Ni  Ni151  1  0.440833  0.575231  0.467291  1
  Ni  Ni152  1  0.918723  0.225701  0.500544  1
  Ni  Ni153  1  0.420776  0.255564  0.497743  1
  Ni  Ni154  1  0.898696  0.906035  0.530963  1
  Ni  Ni155  1  0.169725  0.740659  0.499163  1
  Ni  Ni156  1  0.691595  0.089732  0.465905  1
  Ni  Ni157  1  0.561114  0.002600  0.474196  1
  Ni  Ni158  1  0.039259  0.653262  0.507421  1
  Ni  Ni159  1  0.278427  0.478384  0.524145  1
  Ni  Ni160  1  0.800242  0.827607  0.490850  1
  Ni  Ni161  1  0.179780  0.400465  0.483898  1
  Ni  Ni162  1  0.657804  0.050591  0.517351  1
  Ni  Ni163  1  0.159788  0.080661  0.514386  1
  Ni  Ni164  1  0.681651  0.430607  0.480911  1
  Ni  Ni165  1  0.387087  0.216020  0.549186  1
  Ni  Ni166  1  0.864843  0.866766  0.582319  1
  Ni  Ni167  1  0.256428  0.128694  0.557539  1
  Ni  Ni168  1  0.734399  0.778318  0.590967  1
  Ni  Ni169  1  0.495446  0.953283  0.574392  1
  Ni  Ni170  1  0.017415  0.303026  0.540889  1
  Ni  Ni171  1  0.396855  0.876032  0.534008  1
  Ni  Ni172  1  0.875148  0.526010  0.567257  1
  Ni  Ni173  1  0.377035  0.556247  0.564476  1
  Ni  Ni174  1  0.855026  0.206038  0.597822  1
  Ni  Ni175  1  0.126076  0.040786  0.565913  1
  Ni  Ni176  1  0.647846  0.391471  0.532384  1
  Ni  Ni177  1  0.517503  0.303500  0.540873  1
  Ni  Ni178  1  0.995401  0.953962  0.574136  1
  Ni  Ni179  1  0.234724  0.778404  0.590997  1
  Ni  Ni180  1  0.756259  0.129017  0.557401  1
  Ni  Ni181  1  0.136021  0.701157  0.550525  1
  Ni  Ni182  1  0.614120  0.351792  0.583786  1
  Ni  Ni183  1  0.115957  0.381248  0.581034  1
  Ni  Ni184  1  0.637834  0.731050  0.547765  1
  Ni  Ni185  1  0.343357  0.516094  0.616081  1
  Ni  Ni186  1  0.821257  0.164383  0.649534  1
  Ni  Ni187  1  0.212483  0.431011  0.623790  1
  Ni  Ni188  1  0.689963  0.081141  0.657088  1
  Ni  Ni189  1  0.452290  0.254349  0.641067  1
  Ni  Ni190  1  0.973906  0.604699  0.607176  1
  Ni  Ni191  1  0.353407  0.176756  0.600496  1
  Ni  Ni192  1  0.831309  0.826744  0.633462  1
  Ni  Ni193  1  0.332801  0.857570  0.631390  1
  Ni  Ni194  1  0.812080  0.505507  0.664224  1
  Ni  Ni195  1  0.082009  0.340472  0.632537  1
  Ni  Ni196  1  0.604038  0.691045  0.599407  1
  Ni  Ni197  1  0.473420  0.605292  0.607460  1
  Ni  Ni198  1  0.951361  0.252581  0.641323  1
  Ni  Ni199  1  0.191344  0.079313  0.657933  1
  Ni  Ni200  1  0.713215  0.428731  0.624112  1
  Ni  Ni201  1  0.092386  1.001207  0.617345  1
  Ni  Ni202  1  0.570086  0.651570  0.651213  1
  Ni  Ni203  1  0.071692  0.683526  0.647524  1
  Ni  Ni204  1  0.593977  0.031495  0.614607  1
  Ni  Ni205  1  0.298701  0.813180  0.683039  1
  Ni  Ni206  1  0.781676  0.457819  0.715663  1
  Ni  Ni207  1  0.165670  0.729331  0.690851  1
  Ni  Ni208  1  0.648359  0.378169  0.723020  1
  Ni  Ni209  1  0.415407  0.551682  0.707080  1
  Ni  Ni210  1  0.930441  0.903410  0.674233  1
  Ni  Ni211  1  0.309184  0.477390  0.667934  1
  Ni  Ni212  1  0.786292  0.123331  0.701695  1
  Ni  Ni213  1  0.288287  0.174159  0.697040  1
  Ni  Ni214  1  0.768226  0.802450  0.729800  1
  Ni  Ni215  1  0.037319  0.638816  0.699216  1
  Ni  Ni216  1  0.560438  0.990016  0.666296  1
  Ni  Ni217  1  0.428877  0.905369  0.674407  1
  Ni  Ni218  1  0.905628  0.561909  0.705828  1
  Ni  Ni219  1  0.154588  0.390525  0.722683  1
  Ni  Ni220  1  0.669901  0.724156  0.691869  1
  Ni  Ni221  1  0.049926  0.299380  0.684398  1
  Ni  Ni222  1  0.525205  0.959585  0.717824  1
  Ni  Ni223  1  0.033495  0.984798  0.714860  1
  Ni  Ni224  1  0.550749  0.335262  0.680816  1
