# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64232595
_cell_length_b   16.85036028
_cell_length_c   48.13678059
_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   'Al96 Ni160'
_cell_volume   6198.85944277
_cell_formula_units_Z   32
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  0.499705  0.240566  0.285899  1
  Al  Al2  1  0.499705  0.638499  0.270400  1
  Al  Al3  1  0.776806  0.314016  0.325720  1
  Al  Al4  1  0.768123  0.733321  0.297230  1
  Al  Al5  1  0.222603  0.314016  0.325720  1
  Al  Al6  1  0.231286  0.733321  0.297230  1
  Al  Al7  1  0.999705  0.949739  0.276768  1
  Al  Al8  1  0.999705  0.511092  0.313219  1
  Al  Al9  1  0.267270  0.023687  0.308482  1
  Al  Al10  1  0.280593  0.444813  0.280997  1
  Al  Al11  1  0.732139  0.023687  0.308482  1
  Al  Al12  1  0.718816  0.444813  0.280997  1
  Al  Al13  1  0.499705  0.375182  0.357143  1
  Al  Al14  1  0.499705  0.824062  0.323355  1
  Al  Al15  1  0.776378  0.470090  0.382047  1
  Al  Al16  1  0.778124  0.893398  0.352611  1
  Al  Al17  1  0.223032  0.470090  0.382047  1
  Al  Al18  1  0.221285  0.893398  0.352611  1
  Al  Al19  1  0.999705  0.109775  0.335742  1
  Al  Al20  1  0.999705  0.694707  0.364567  1
  Al  Al21  1  0.282255  0.182907  0.365695  1
  Al  Al22  1  0.277788  0.602815  0.339706  1
  Al  Al23  1  0.717154  0.182907  0.365695  1
  Al  Al24  1  0.721621  0.602815  0.339706  1
  Al  Al25  1  0.499705  0.562131  0.407146  1
  Al  Al26  1  0.499705  0.971371  0.382208  1
  Al  Al27  1  0.778834  0.625383  0.442447  1
  Al  Al28  1  0.777894  0.048574  0.411447  1
  Al  Al29  1  0.220575  0.625383  0.442447  1
  Al  Al30  1  0.221515  0.048574  0.411447  1
  Al  Al31  1  0.999705  0.246416  0.401838  1
  Al  Al32  1  0.999705  0.829466  0.430165  1
  Al  Al33  1  0.275975  0.337950  0.426803  1
  Al  Al34  1  0.277380  0.758700  0.398507  1
  Al  Al35  1  0.723434  0.337950  0.426803  1
  Al  Al36  1  0.722029  0.758700  0.398507  1
  Al  Al37  1  0.499705  0.691341  0.476287  1
  Al  Al38  1  0.499705  0.116084  0.444466  1
  Al  Al39  1  0.774390  0.780518  0.502096  1
  Al  Al40  1  0.774369  0.205037  0.469956  1
  Al  Al41  1  0.225019  0.780518  0.502096  1
  Al  Al42  1  0.225040  0.205037  0.469956  1
  Al  Al43  1  0.999705  0.430116  0.451668  1
  Al  Al44  1  0.999705  0.989381  0.487331  1
  Al  Al45  1  0.280082  0.492858  0.486228  1
  Al  Al46  1  0.275806  0.914370  0.456858  1
  Al  Al47  1  0.719328  0.492858  0.486228  1
  Al  Al48  1  0.723603  0.914370  0.456858  1
  Al  Al49  1  0.499705  0.862840  0.529526  1
  Al  Al50  1  0.499705  0.296018  0.495421  1
  Al  Al51  1  0.776032  0.938437  0.559428  1
  Al  Al52  1  0.780080  0.359768  0.530426  1
  Al  Al53  1  0.223377  0.938437  0.559428  1
  Al  Al54  1  0.219329  0.359768  0.530426  1
  Al  Al55  1  0.999705  0.556603  0.521025  1
  Al  Al56  1  0.999705  0.161609  0.540404  1
  Al  Al57  1  0.274500  0.647508  0.546362  1
  Al  Al58  1  0.273951  0.072427  0.514547  1
  Al  Al59  1  0.724909  0.647508  0.546362  1
  Al  Al60  1  0.725458  0.072427  0.514547  1
  Al  Al61  1  0.499705  0.024080  0.586019  1
  Al  Al62  1  0.499705  0.422933  0.565067  1
  Al  Al63  1  0.780265  0.093322  0.619339  1
  Al  Al64  1  0.776227  0.515316  0.590159  1
  Al  Al65  1  0.219144  0.093322  0.619339  1
  Al  Al66  1  0.223183  0.515316  0.590159  1
  Al  Al67  1  0.999705  0.736679  0.571810  1
  Al  Al68  1  0.999705  0.289946  0.609578  1
  Al  Al69  1  0.275208  0.805614  0.604712  1
  Al  Al70  1  0.279339  0.227002  0.573994  1
  Al  Al71  1  0.724201  0.805614  0.604712  1
  Al  Al72  1  0.720070  0.227002  0.573994  1
  Al  Al73  1  0.499705  0.157739  0.652327  1
  Al  Al74  1  0.499705  0.606470  0.615156  1
  Al  Al75  1  0.780704  0.250158  0.675342  1
  Al  Al76  1  0.779651  0.672223  0.649590  1
  Al  Al77  1  0.218705  0.250158  0.675342  1
  Al  Al78  1  0.219758  0.672223  0.649590  1
  Al  Al79  1  0.999705  0.885175  0.634448  1
  Al  Al80  1  0.999705  0.479420  0.658469  1
  Al  Al81  1  0.277441  0.961835  0.662326  1
  Al  Al82  1  0.278035  0.383061  0.634180  1
  Al  Al83  1  0.721968  0.961835  0.662326  1
  Al  Al84  1  0.721374  0.383061  0.634180  1
  Al  Al85  1  0.499705  0.342863  0.702782  1
  Al  Al86  1  0.499705  0.746307  0.678298  1
  Al  Al87  1  0.777915  0.408050  0.734406  1
  Al  Al88  1  0.767400  0.829984  0.707312  1
  Al  Al89  1  0.221495  0.408050  0.734406  1
  Al  Al90  1  0.232009  0.829984  0.707312  1
  Al  Al91  1  0.999705  0.035292  0.698521  1
  Al  Al92  1  0.999705  0.603834  0.728204  1
  Al  Al93  1  0.288546  0.119948  0.720285  1
  Al  Al94  1  0.271656  0.540477  0.692139  1
  Al  Al95  1  0.710864  0.119948  0.720285  1
  Al  Al96  1  0.727753  0.540477  0.692139  1
  Ni  Ni97  1  0.499705  0.936637  0.286670  1
  Ni  Ni98  1  0.499705  0.531770  0.307001  1
  Ni  Ni99  1  0.234787  0.877939  0.301136  1
  Ni  Ni100  1  0.216713  0.299481  0.277254  1
  Ni  Ni101  1  0.764622  0.877939  0.301136  1
  Ni  Ni102  1  0.782696  0.299481  0.277254  1
  Ni  Ni103  1  0.499705  0.795181  0.276583  1
  Ni  Ni104  1  0.499705  0.372710  0.306572  1
  Ni  Ni105  1  0.499705  0.098357  0.289537  1
  Ni  Ni106  1  0.499705  0.680725  0.317416  1
  Ni  Ni107  1  0.999705  0.231769  0.301075  1
  Ni  Ni108  1  0.999705  0.665978  0.270861  1
  Ni  Ni109  1  0.735708  0.171243  0.311760  1
  Ni  Ni110  1  0.771934  0.588778  0.290396  1
  Ni  Ni111  1  0.263701  0.171243  0.311760  1
  Ni  Ni112  1  0.227475  0.588778  0.290396  1
  Ni  Ni113  1  0.999705  0.095388  0.287869  1
  Ni  Ni114  1  0.999705  0.655140  0.317613  1
  Ni  Ni115  1  0.999705  0.808106  0.277606  1
  Ni  Ni116  1  0.999705  0.376570  0.297442  1
  Ni  Ni117  1  0.499705  0.100938  0.337705  1
  Ni  Ni118  1  0.499705  0.674776  0.370971  1
  Ni  Ni119  1  0.245791  0.038301  0.359284  1
  Ni  Ni120  1  0.278150  0.456932  0.330817  1
  Ni  Ni121  1  0.753618  0.038301  0.359284  1
  Ni  Ni122  1  0.721259  0.456932  0.330817  1
  Ni  Ni123  1  0.499705  0.960934  0.333392  1
  Ni  Ni124  1  0.499705  0.519347  0.359318  1
  Ni  Ni125  1  0.499705  0.244179  0.335306  1
  Ni  Ni126  1  0.499705  0.830266  0.373249  1
  Ni  Ni127  1  0.999705  0.400517  0.350026  1
  Ni  Ni128  1  0.999705  0.807668  0.326072  1
  Ni  Ni129  1  0.776529  0.324117  0.376441  1
  Ni  Ni130  1  0.727612  0.749129  0.347002  1
  Ni  Ni131  1  0.222881  0.324117  0.376441  1
  Ni  Ni132  1  0.271797  0.749129  0.347002  1
  Ni  Ni133  1  0.999705  0.246285  0.351273  1
  Ni  Ni134  1  0.999705  0.827805  0.380163  1
  Ni  Ni135  1  0.999705  0.962901  0.326499  1
  Ni  Ni136  1  0.999705  0.551343  0.360998  1
  Ni  Ni137  1  0.499705  0.266773  0.394417  1
  Ni  Ni138  1  0.499705  0.839999  0.426178  1
  Ni  Ni139  1  0.274666  0.191598  0.418384  1
  Ni  Ni140  1  0.222673  0.616176  0.390295  1
  Ni  Ni141  1  0.724743  0.191598  0.418384  1
  Ni  Ni142  1  0.776736  0.616176  0.390295  1
  Ni  Ni143  1  0.499705  0.112339  0.393065  1
  Ni  Ni144  1  0.499705  0.693028  0.426012  1
  Ni  Ni145  1  0.499705  0.417822  0.405005  1
  Ni  Ni146  1  0.499705  0.982294  0.431324  1
  Ni  Ni147  1  0.999705  0.540130  0.414631  1
  Ni  Ni148  1  0.999705  0.971934  0.381212  1
  Ni  Ni149  1  0.723424  0.483545  0.433444  1
  Ni  Ni150  1  0.757043  0.903645  0.404940  1
  Ni  Ni151  1  0.275985  0.483545  0.433444  1
  Ni  Ni152  1  0.242366  0.903645  0.404940  1
  Ni  Ni153  1  0.999705  0.390267  0.403738  1
  Ni  Ni154  1  0.999705  0.974666  0.436484  1
  Ni  Ni155  1  0.999705  0.115831  0.384796  1
  Ni  Ni156  1  0.999705  0.692728  0.415346  1
  Ni  Ni157  1  0.499705  0.407576  0.458609  1
  Ni  Ni158  1  0.499705  0.996956  0.484506  1
  Ni  Ni159  1  0.223835  0.350545  0.477934  1
  Ni  Ni160  1  0.267603  0.768778  0.450801  1
  Ni  Ni161  1  0.775574  0.350545  0.477934  1
  Ni  Ni162  1  0.731807  0.768778  0.450801  1
  Ni  Ni163  1  0.499705  0.257904  0.447260  1
  Ni  Ni164  1  0.499705  0.837414  0.479922  1
  Ni  Ni165  1  0.499705  0.558479  0.458057  1
  Ni  Ni166  1  0.499705  0.150942  0.493065  1
  Ni  Ni167  1  0.999705  0.709884  0.469793  1
  Ni  Ni168  1  0.999705  0.132812  0.438840  1
  Ni  Ni169  1  0.773278  0.635259  0.495015  1
  Ni  Ni170  1  0.766394  0.058862  0.463110  1
  Ni  Ni171  1  0.226132  0.635259  0.495015  1
  Ni  Ni172  1  0.233015  0.058862  0.463110  1
  Ni  Ni173  1  0.999705  0.560942  0.470545  1
  Ni  Ni174  1  0.999705  0.129263  0.491851  1
  Ni  Ni175  1  0.999705  0.285981  0.449736  1
  Ni  Ni176  1  0.999705  0.852674  0.478886  1
  Ni  Ni177  1  0.499705  0.577913  0.513904  1
  Ni  Ni178  1  0.499705  0.142456  0.546751  1
  Ni  Ni179  1  0.275378  0.502065  0.538862  1
  Ni  Ni180  1  0.250987  0.926447  0.508148  1
  Ni  Ni181  1  0.724031  0.502065  0.538862  1
  Ni  Ni182  1  0.748423  0.926447  0.508148  1
  Ni  Ni183  1  0.499705  0.427253  0.514406  1
  Ni  Ni184  1  0.499705  0.999758  0.537341  1
  Ni  Ni185  1  0.499705  0.723419  0.524661  1
  Ni  Ni186  1  0.499705  0.292066  0.545924  1
  Ni  Ni187  1  0.999705  0.856701  0.531713  1
  Ni  Ni188  1  0.999705  0.274524  0.502699  1
  Ni  Ni189  1  0.734064  0.793784  0.553299  1
  Ni  Ni190  1  0.725901  0.217525  0.521385  1
  Ni  Ni191  1  0.265345  0.793784  0.553299  1
  Ni  Ni192  1  0.273509  0.217525  0.521385  1
  Ni  Ni193  1  0.999705  0.701523  0.523338  1
  Ni  Ni194  1  0.999705  0.294292  0.558660  1
  Ni  Ni195  1  0.999705  0.425252  0.502284  1
  Ni  Ni196  1  0.999705  0.016004  0.536931  1
  Ni  Ni197  1  0.499705  0.720598  0.577411  1
  Ni  Ni198  1  0.499705  0.312497  0.601660  1
  Ni  Ni199  1  0.226525  0.662136  0.597570  1
  Ni  Ni200  1  0.230116  0.083716  0.566288  1
  Ni  Ni201  1  0.772885  0.662136  0.597570  1
  Ni  Ni202  1  0.769293  0.083716  0.566288  1
  Ni  Ni203  1  0.499705  0.567284  0.567132  1
  Ni  Ni204  1  0.499705  0.159275  0.601494  1
  Ni  Ni205  1  0.499705  0.878771  0.580196  1
  Ni  Ni206  1  0.499705  0.463674  0.612957  1
  Ni  Ni207  1  0.999705  0.012457  0.591036  1
  Ni  Ni208  1  0.999705  0.445396  0.558020  1
  Ni  Ni209  1  0.740294  0.949802  0.610836  1
  Ni  Ni210  1  0.776126  0.369128  0.583056  1
  Ni  Ni211  1  0.259116  0.949802  0.610836  1
  Ni  Ni212  1  0.223283  0.369128  0.583056  1
  Ni  Ni213  1  0.999705  0.870662  0.585140  1
  Ni  Ni214  1  0.999705  0.434068  0.611210  1
  Ni  Ni215  1  0.999705  0.594712  0.569136  1
  Ni  Ni216  1  0.999705  0.159098  0.590971  1
  Ni  Ni217  1  0.499705  0.881555  0.634741  1
  Ni  Ni218  1  0.499705  0.455705  0.667182  1
  Ni  Ni219  1  0.252661  0.817638  0.656731  1
  Ni  Ni220  1  0.278038  0.236303  0.625706  1
  Ni  Ni221  1  0.746748  0.817638  0.656731  1
  Ni  Ni222  1  0.721371  0.236303  0.625706  1
  Ni  Ni223  1  0.499705  0.738742  0.629899  1
  Ni  Ni224  1  0.499705  0.300926  0.655452  1
  Ni  Ni225  1  0.499705  0.026168  0.635732  1
  Ni  Ni226  1  0.499705  0.606454  0.666130  1
  Ni  Ni227  1  0.999705  0.177384  0.646254  1
  Ni  Ni228  1  0.999705  0.588404  0.622163  1
  Ni  Ni229  1  0.774202  0.104081  0.671811  1
  Ni  Ni230  1  0.722184  0.529712  0.640972  1
  Ni  Ni231  1  0.225207  0.104081  0.671811  1
  Ni  Ni232  1  0.277226  0.529712  0.640972  1
  Ni  Ni233  1  0.999705  0.025772  0.647675  1
  Ni  Ni234  1  0.999705  0.612499  0.679245  1
  Ni  Ni235  1  0.999705  0.743362  0.623094  1
  Ni  Ni236  1  0.999705  0.336483  0.656839  1
  Ni  Ni237  1  0.499705  0.048681  0.688239  1
  Ni  Ni238  1  0.499705  0.622624  0.714364  1
  Ni  Ni239  1  0.284365  0.974850  0.711151  1
  Ni  Ni240  1  0.226946  0.396264  0.684715  1
  Ni  Ni241  1  0.715044  0.974850  0.711151  1
  Ni  Ni242  1  0.772463  0.396264  0.684715  1
  Ni  Ni243  1  0.499705  0.890921  0.688847  1
  Ni  Ni244  1  0.499705  0.477079  0.717854  1
  Ni  Ni245  1  0.499705  0.202588  0.698558  1
  Ni  Ni246  1  0.499705  0.756891  0.725785  1
  Ni  Ni247  1  0.999705  0.326134  0.707636  1
  Ni  Ni248  1  0.999705  0.757643  0.676186  1
  Ni  Ni249  1  0.742594  0.265182  0.723549  1
  Ni  Ni250  1  0.760102  0.685107  0.701405  1
  Ni  Ni251  1  0.256816  0.265182  0.723549  1
  Ni  Ni252  1  0.239308  0.685107  0.701405  1
  Ni  Ni253  1  0.999705  0.181808  0.703230  1
  Ni  Ni254  1  0.999705  0.743564  0.722812  1
  Ni  Ni255  1  0.999705  0.900354  0.683916  1
  Ni  Ni256  1  0.999705  0.471125  0.707335  1
