# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13608123
_cell_length_b   16.24837858
_cell_length_c   51.87353570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5171.8626226
_cell_formula_units_Z   40
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  0.021350  0.807864  0.317531  1
  Al  Al2  1  0.015469  0.357595  0.273492  1
  Al  Al3  1  0.217163  0.948848  0.276654  1
  Al  Al4  1  0.183738  0.405914  0.322964  1
  Al  Al5  1  0.187701  0.668581  0.349064  1
  Al  Al6  1  0.189871  0.215537  0.299919  1
  Al  Al7  1  0.326978  0.942911  0.326646  1
  Al  Al8  1  0.310379  0.497548  0.281371  1
  Al  Al9  1  0.690097  0.878831  0.347605  1
  Al  Al10  1  0.692460  0.428870  0.302348  1
  Al  Al11  1  0.832152  0.152637  0.325544  1
  Al  Al12  1  0.864030  0.696267  0.280191  1
  Al  Al13  1  0.682908  0.691147  0.329065  1
  Al  Al14  1  0.679510  0.237540  0.283246  1
  Al  Al15  1  0.829615  0.963896  0.305417  1
  Al  Al16  1  0.820954  0.416657  0.351863  1
  Al  Al17  1  0.326768  0.133972  0.344035  1
  Al  Al18  1  0.313591  0.677906  0.297890  1
  Al  Al19  1  0.545034  0.827957  0.293345  1
  Al  Al20  1  0.516744  0.288262  0.334221  1
  Al  Al21  1  0.996908  0.015218  0.357232  1
  Al  Al22  1  0.985394  0.560767  0.315319  1
  Al  Al23  1  0.504710  0.077872  0.294862  1
  Al  Al24  1  0.487326  0.534338  0.338738  1
  Al  Al25  1  0.020366  0.715271  0.407520  1
  Al  Al26  1  0.021784  0.261329  0.361675  1
  Al  Al27  1  0.185070  0.859927  0.368090  1
  Al  Al28  1  0.190115  0.313835  0.413100  1
  Al  Al29  1  0.188725  0.578597  0.439913  1
  Al  Al30  1  0.189562  0.123736  0.393668  1
  Al  Al31  1  0.326434  0.851578  0.417054  1
  Al  Al32  1  0.329107  0.396102  0.371406  1
  Al  Al33  1  0.688961  0.788483  0.439293  1
  Al  Al34  1  0.689041  0.333195  0.393605  1
  Al  Al35  1  0.826394  0.061131  0.416304  1
  Al  Al36  1  0.822581  0.606520  0.370656  1
  Al  Al37  1  0.689482  0.598239  0.420213  1
  Al  Al38  1  0.688943  0.143593  0.374405  1
  Al  Al39  1  0.823680  0.871089  0.397297  1
  Al  Al40  1  0.827390  0.325026  0.442774  1
  Al  Al41  1  0.326003  0.041716  0.435856  1
  Al  Al42  1  0.327477  0.587183  0.390954  1
  Al  Al43  1  0.519481  0.742335  0.380665  1
  Al  Al44  1  0.520778  0.196736  0.425592  1
  Al  Al45  1  0.994857  0.924339  0.448611  1
  Al  Al46  1  0.992715  0.469109  0.403495  1
  Al  Al47  1  0.493987  0.987596  0.384489  1
  Al  Al48  1  0.496084  0.442529  0.430285  1
  Al  Al49  1  0.020340  0.624467  0.498619  1
  Al  Al50  1  0.020519  0.169751  0.452935  1
  Al  Al51  1  0.188696  0.768928  0.458885  1
  Al  Al52  1  0.189755  0.222981  0.504172  1
  Al  Al53  1  0.188850  0.487536  0.530707  1
  Al  Al54  1  0.189299  0.032955  0.485163  1
  Al  Al55  1  0.326893  0.760481  0.508072  1
  Al  Al56  1  0.327766  0.305521  0.462320  1
  Al  Al57  1  0.688429  0.697380  0.530382  1
  Al  Al58  1  0.689302  0.242420  0.484630  1
  Al  Al59  1  0.826896  0.969946  0.507539  1
  Al  Al60  1  0.827345  0.515365  0.461995  1
  Al  Al61  1  0.688974  0.507104  0.511137  1
  Al  Al62  1  0.689215  0.052517  0.465593  1
  Al  Al63  1  0.826440  0.779920  0.488530  1
  Al  Al64  1  0.827499  0.233973  0.533817  1
  Al  Al65  1  0.326980  0.950384  0.527109  1
  Al  Al66  1  0.327221  0.495797  0.481565  1
  Al  Al67  1  0.520569  0.651487  0.471496  1
  Al  Al68  1  0.520659  0.105717  0.516829  1
  Al  Al69  1  0.995676  0.833150  0.539767  1
  Al  Al70  1  0.995855  0.378434  0.494083  1
  Al  Al71  1  0.495536  0.897184  0.475873  1
  Al  Al72  1  0.495626  0.351414  0.521206  1
  Al  Al73  1  0.023480  0.533792  0.589208  1
  Al  Al74  1  0.021338  0.078562  0.544091  1
  Al  Al75  1  0.188805  0.677875  0.549929  1
  Al  Al76  1  0.192515  0.131812  0.595405  1
  Al  Al77  1  0.193614  0.396381  0.622046  1
  Al  Al78  1  0.189801  0.941770  0.576398  1
  Al  Al79  1  0.327154  0.669706  0.599097  1
  Al  Al80  1  0.327234  0.214418  0.553409  1
  Al  Al81  1  0.687088  0.606799  0.621296  1
  Al  Al82  1  0.689761  0.151323  0.575648  1
  Al  Al83  1  0.826633  0.879165  0.599034  1
  Al  Al84  1  0.827470  0.424304  0.552789  1
  Al  Al85  1  0.688718  0.415718  0.601748  1
  Al  Al86  1  0.690192  0.961185  0.556846  1
  Al  Al87  1  0.826080  0.689066  0.579602  1
  Al  Al88  1  0.831125  0.142974  0.624612  1
  Al  Al89  1  0.327252  0.859308  0.618297  1
  Al  Al90  1  0.326713  0.404662  0.572489  1
  Al  Al91  1  0.520111  0.560372  0.562417  1
  Al  Al92  1  0.522208  0.015305  0.608214  1
  Al  Al93  1  0.994411  0.741572  0.631027  1
  Al  Al94  1  0.995829  0.287630  0.585182  1
  Al  Al95  1  0.495417  0.806165  0.567110  1
  Al  Al96  1  0.496714  0.260566  0.612037  1
  Al  Al97  1  0.030801  0.442134  0.677383  1
  Al  Al98  1  0.019287  0.987683  0.635470  1
  Al  Al99  1  0.195241  0.586244  0.640839  1
  Al  Al100  1  0.186580  0.039005  0.687285  1
  Al  Al101  1  0.152165  0.306634  0.712511  1
  Al  Al102  1  0.184043  0.850264  0.667158  1
  Al  Al103  1  0.323735  0.574031  0.690354  1
  Al  Al104  1  0.326098  0.124070  0.645097  1
  Al  Al105  1  0.705816  0.505353  0.711331  1
  Al  Al106  1  0.689217  0.059990  0.666056  1
  Al  Al107  1  0.826324  0.787364  0.692783  1
  Al  Al108  1  0.828494  0.334320  0.643638  1
  Al  Al109  1  0.702604  0.324995  0.694812  1
  Al  Al110  1  0.689427  0.868929  0.648667  1
  Al  Al111  1  0.832457  0.596987  0.669738  1
  Al  Al112  1  0.799032  0.054053  0.716048  1
  Al  Al113  1  0.336685  0.765361  0.709457  1
  Al  Al114  1  0.333287  0.311754  0.663637  1
  Al  Al115  1  0.528869  0.468563  0.653964  1
  Al  Al116  1  0.511485  0.925029  0.697840  1
  Al  Al117  1  1.000727  0.645306  0.719210  1
  Al  Al118  1  0.994845  0.195037  0.675171  1
  Al  Al119  1  0.499451  0.714639  0.658481  1
  Al  Al120  1  0.471161  0.174944  0.699357  1
  Ni  Ni121  1  0.907516  0.850266  0.273432  1
  Ni  Ni122  1  0.892560  0.304402  0.318227  1
  Ni  Ni123  1  0.386952  0.788112  0.334621  1
  Ni  Ni124  1  0.394435  0.342004  0.288565  1
  Ni  Ni125  1  0.124289  0.062809  0.309734  1
  Ni  Ni126  1  0.121067  0.515421  0.357748  1
  Ni  Ni127  1  0.623870  0.032318  0.340887  1
  Ni  Ni128  1  0.628457  0.580163  0.295286  1
  Ni  Ni129  1  0.892640  0.759038  0.363597  1
  Ni  Ni130  1  0.895129  0.213550  0.408743  1
  Ni  Ni131  1  0.393587  0.698616  0.424678  1
  Ni  Ni132  1  0.394204  0.243757  0.378474  1
  Ni  Ni133  1  0.120457  0.971330  0.401607  1
  Ni  Ni134  1  0.122797  0.425423  0.447217  1
  Ni  Ni135  1  0.621400  0.941361  0.431716  1
  Ni  Ni136  1  0.620283  0.486824  0.386171  1
  Ni  Ni137  1  0.893652  0.668504  0.454556  1
  Ni  Ni138  1  0.894314  0.122598  0.499976  1
  Ni  Ni139  1  0.393651  0.607531  0.515530  1
  Ni  Ni140  1  0.394063  0.152838  0.469770  1
  Ni  Ni141  1  0.121881  0.880303  0.492726  1
  Ni  Ni142  1  0.122543  0.334397  0.538146  1
  Ni  Ni143  1  0.622132  0.850063  0.522932  1
  Ni  Ni144  1  0.622544  0.395370  0.477172  1
  Ni  Ni145  1  0.893398  0.577478  0.545485  1
  Ni  Ni146  1  0.895738  0.031571  0.591095  1
  Ni  Ni147  1  0.395913  0.516077  0.606531  1
  Ni  Ni148  1  0.394796  0.061540  0.560986  1
  Ni  Ni149  1  0.121067  0.789351  0.583959  1
  Ni  Ni150  1  0.123555  0.243863  0.629105  1
  Ni  Ni151  1  0.621991  0.759144  0.614228  1
  Ni  Ni152  1  0.622608  0.304285  0.568024  1
  Ni  Ni153  1  0.895129  0.487480  0.634954  1
  Ni  Ni154  1  0.891906  0.940092  0.682969  1
  Ni  Ni155  1  0.387738  0.422738  0.697416  1
  Ni  Ni156  1  0.392325  0.970583  0.651815  1
  Ni  Ni157  1  0.123635  0.698499  0.674475  1
  Ni  Ni158  1  0.108679  0.152635  0.719270  1
  Ni  Ni159  1  0.621760  0.660897  0.704137  1
  Ni  Ni160  1  0.629243  0.214789  0.658081  1
