# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75744172
_cell_length_b   23.35391527
_cell_length_c   51.43124316
_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   'Al144 Ni48'
_cell_volume   5714.26265111
_cell_formula_units_Z   48
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  0.442142  0.234491  0.301527  1
  Al  Al2  1  0.400681  0.782946  0.266829  1
  Al  Al3  1  0.732823  0.092080  0.309408  1
  Al  Al4  1  0.702425  0.681177  0.270141  1
  Al  Al5  1  0.765024  0.387557  0.284690  1
  Al  Al6  1  0.743458  0.802497  0.331806  1
  Al  Al7  1  0.757639  0.170348  0.272178  1
  Al  Al8  1  0.726321  0.599373  0.312609  1
  Al  Al9  1  0.243557  0.131176  0.290197  1
  Al  Al10  1  0.229943  0.558597  0.332916  1
  Al  Al11  1  0.311855  0.923824  0.274570  1
  Al  Al12  1  0.291115  0.348784  0.309465  1
  Al  Al13  1  0.257615  0.460563  0.266299  1
  Al  Al14  1  0.249435  0.837356  0.310857  1
  Al  Al15  1  0.267151  0.049038  0.328301  1
  Al  Al16  1  0.202893  0.639013  0.283300  1
  Al  Al17  1  0.796537  0.882574  0.288649  1
  Al  Al18  1  0.781816  0.309356  0.328021  1
  Al  Al19  1  0.965777  0.273517  0.280282  1
  Al  Al20  1  0.943284  0.697931  0.322220  1
  Al  Al21  1  0.582101  0.908288  0.338367  1
  Al  Al22  1  0.585543  0.486257  0.303985  1
  Al  Al23  1  0.032582  0.016728  0.281533  1
  Al  Al24  1  0.079632  0.446859  0.320965  1
  Al  Al25  1  0.435793  0.076940  0.378119  1
  Al  Al26  1  0.425223  0.657206  0.344572  1
  Al  Al27  1  0.740472  0.936460  0.388493  1
  Al  Al28  1  0.742080  0.518554  0.351193  1
  Al  Al29  1  0.738566  0.223305  0.364595  1
  Al  Al30  1  0.735281  0.643073  0.408035  1
  Al  Al31  1  0.777484  0.011943  0.348559  1
  Al  Al32  1  0.778356  0.432729  0.386161  1
  Al  Al33  1  0.244325  0.974482  0.369585  1
  Al  Al34  1  0.242398  0.394926  0.407587  1
  Al  Al35  1  0.272965  0.765225  0.353721  1
  Al  Al36  1  0.277362  0.185096  0.387166  1
  Al  Al37  1  0.238464  0.261532  0.346922  1
  Al  Al38  1  0.234836  0.681535  0.390881  1
  Al  Al39  1  0.275106  0.891984  0.407832  1
  Al  Al40  1  0.275665  0.471320  0.368086  1
  Al  Al41  1  0.773573  0.727278  0.371877  1
  Al  Al42  1  0.777738  0.147144  0.405350  1
  Al  Al43  1  0.937587  0.121715  0.355256  1
  Al  Al44  1  0.936110  0.541293  0.397609  1
  Al  Al45  1  0.575758  0.752121  0.417852  1
  Al  Al46  1  0.580336  0.331445  0.375058  1
  Al  Al47  1  0.082166  0.867136  0.360981  1
  Al  Al48  1  0.079007  0.286971  0.396637  1
  Al  Al49  1  0.435465  0.916149  0.457476  1
  Al  Al50  1  0.437814  0.496525  0.418300  1
  Al  Al51  1  0.736684  0.776754  0.466987  1
  Al  Al52  1  0.741858  0.357003  0.425481  1
  Al  Al53  1  0.738872  0.064264  0.443394  1
  Al  Al54  1  0.739006  0.482698  0.482887  1
  Al  Al55  1  0.774992  0.854244  0.426643  1
  Al  Al56  1  0.777406  0.273635  0.461751  1
  Al  Al57  1  0.236022  0.814578  0.448512  1
  Al  Al58  1  0.240440  0.235318  0.483612  1
  Al  Al59  1  0.273068  0.604339  0.429684  1
  Al  Al60  1  0.277981  0.024804  0.465459  1
  Al  Al61  1  0.239678  0.101756  0.424737  1
  Al  Al62  1  0.239086  0.520379  0.465189  1
  Al  Al63  1  0.274662  0.731023  0.486027  1
  Al  Al64  1  0.276707  0.311041  0.443562  1
  Al  Al65  1  0.773332  0.566791  0.447426  1
  Al  Al66  1  0.777256  0.986734  0.483984  1
  Al  Al67  1  0.937285  0.962710  0.434601  1
  Al  Al68  1  0.940139  0.381486  0.472396  1
  Al  Al69  1  0.575379  0.590728  0.494197  1
  Al  Al70  1  0.578428  0.172525  0.451869  1
  Al  Al71  1  0.073946  0.705829  0.439909  1
  Al  Al72  1  0.079879  0.126740  0.474327  1
  Al  Al73  1  0.436235  0.755597  0.535757  1
  Al  Al74  1  0.439284  0.337395  0.493429  1
  Al  Al75  1  0.737956  0.617082  0.544064  1
  Al  Al76  1  0.740001  0.197100  0.501599  1
  Al  Al77  1  0.736682  0.903318  0.522167  1
  Al  Al78  1  0.741595  0.323784  0.557941  1
  Al  Al79  1  0.774223  0.692804  0.504013  1
  Al  Al80  1  0.778641  0.113545  0.539114  1
  Al  Al81  1  0.237257  0.654487  0.525874  1
  Al  Al82  1  0.239671  0.073879  0.560983  1
  Al  Al83  1  0.275657  0.445424  0.504739  1
  Al  Al84  1  0.275791  0.863858  0.544231  1
  Al  Al85  1  0.237407  0.941389  0.503641  1
  Al  Al86  1  0.241331  0.361331  0.540199  1
  Al  Al87  1  0.272805  0.571120  0.562144  1
  Al  Al88  1  0.277979  0.151369  0.520639  1
  Al  Al89  1  0.775576  0.407743  0.522436  1
  Al  Al90  1  0.774985  0.826367  0.562888  1
  Al  Al91  1  0.934784  0.801382  0.513299  1
  Al  Al92  1  0.940716  0.222293  0.547716  1
  Al  Al93  1  0.576849  0.431597  0.569326  1
  Al  Al94  1  0.579198  0.011974  0.530149  1
  Al  Al95  1  0.074524  0.546637  0.515230  1
  Al  Al96  1  0.077378  0.965413  0.553024  1
  Al  Al97  1  0.434327  0.596677  0.612567  1
  Al  Al98  1  0.438905  0.176001  0.569773  1
  Al  Al99  1  0.738998  0.456802  0.619539  1
  Al  Al100  1  0.739557  0.036139  0.579793  1
  Al  Al101  1  0.737301  0.743026  0.600460  1
  Al  Al102  1  0.741698  0.162897  0.633905  1
  Al  Al103  1  0.772265  0.533196  0.580038  1
  Al  Al104  1  0.770338  0.953640  0.618041  1
  Al  Al105  1  0.236307  0.495393  0.601464  1
  Al  Al106  1  0.237178  0.916179  0.639066  1
  Al  Al107  1  0.279382  0.285049  0.579590  1
  Al  Al108  1  0.276097  0.704818  0.623031  1
  Al  Al109  1  0.236925  0.780978  0.582276  1
  Al  Al110  1  0.241090  0.200844  0.615748  1
  Al  Al111  1  0.272583  0.409569  0.636432  1
  Al  Al112  1  0.274191  0.991663  0.599133  1
  Al  Al113  1  0.779827  0.246587  0.596745  1
  Al  Al114  1  0.776199  0.666590  0.640703  1
  Al  Al115  1  0.935656  0.641151  0.590989  1
  Al  Al116  1  0.932497  0.060986  0.626645  1
  Al  Al117  1  0.589440  0.270917  0.643054  1
  Al  Al118  1  0.578870  0.851183  0.609507  1
  Al  Al119  1  0.078553  0.386830  0.590017  1
  Al  Al120  1  0.077076  0.806407  0.632369  1
  Al  Al121  1  0.429120  0.441865  0.683640  1
  Al  Al122  1  0.432562  0.019834  0.649259  1
  Al  Al123  1  0.811770  0.289109  0.704326  1
  Al  Al124  1  0.747512  0.879084  0.659324  1
  Al  Al125  1  0.723548  0.579338  0.678160  1
  Al  Al126  1  0.702808  0.004298  0.713055  1
  Al  Al127  1  0.784720  0.369525  0.654710  1
  Al  Al128  1  0.771105  0.796946  0.697429  1
  Al  Al129  1  0.288342  0.328750  0.675016  1
  Al  Al130  1  0.257024  0.757774  0.715447  1
  Al  Al131  1  0.271204  0.125626  0.655819  1
  Al  Al132  1  0.249638  0.540565  0.702936  1
  Al  Al133  1  0.232847  0.618766  0.659605  1
  Al  Al134  1  0.218126  0.045548  0.698977  1
  Al  Al135  1  0.312238  0.246945  0.717485  1
  Al  Al136  1  0.281840  0.836043  0.678218  1
  Al  Al137  1  0.765228  0.090766  0.676769  1
  Al  Al138  1  0.757048  0.467560  0.721327  1
  Al  Al139  1  0.935031  0.481264  0.666660  1
  Al  Al140  1  0.982081  0.911394  0.706092  1
  Al  Al141  1  0.613982  0.145177  0.720796  1
  Al  Al142  1  0.572521  0.693631  0.686098  1
  Al  Al143  1  0.071379  0.230191  0.665405  1
  Al  Al144  1  0.048886  0.654606  0.707344  1
  Ni  Ni145  1  0.420946  0.157709  0.337183  1
  Ni  Ni146  1  0.433886  0.730752  0.307643  1
  Ni  Ni147  1  0.925578  0.196897  0.318649  1
  Ni  Ni148  1  0.910372  0.772312  0.287828  1
  Ni  Ni149  1  0.593940  0.983398  0.304466  1
  Ni  Ni150  1  0.527516  0.560196  0.271848  1
  Ni  Ni151  1  0.093342  0.945066  0.320519  1
  Ni  Ni152  1  0.036491  0.535468  0.288864  1
  Ni  Ni153  1  0.420689  1.000110  0.415850  1
  Ni  Ni154  1  0.416302  0.579061  0.380185  1
  Ni  Ni155  1  0.919952  0.038800  0.397162  1
  Ni  Ni156  1  0.915016  0.620356  0.361471  1
  Ni  Ni157  1  0.597062  0.829089  0.380483  1
  Ni  Ni158  1  0.602650  0.409035  0.339603  1
  Ni  Ni159  1  0.093476  0.790412  0.399357  1
  Ni  Ni160  1  0.100920  0.369624  0.356941  1
  Ni  Ni161  1  0.417281  0.839350  0.494767  1
  Ni  Ni162  1  0.421989  0.418879  0.454348  1
  Ni  Ni163  1  0.918281  0.878452  0.476002  1
  Ni  Ni164  1  0.921372  0.458800  0.436176  1
  Ni  Ni165  1  0.591167  0.668347  0.457694  1
  Ni  Ni166  1  0.597340  0.249138  0.415040  1
  Ni  Ni167  1  0.093073  0.628651  0.476191  1
  Ni  Ni168  1  0.095317  0.209774  0.433587  1
  Ni  Ni169  1  0.417323  0.678984  0.572585  1
  Ni  Ni170  1  0.423496  0.259776  0.529931  1
  Ni  Ni171  1  0.919346  0.718349  0.554039  1
  Ni  Ni172  1  0.921590  0.299472  0.511435  1
  Ni  Ni173  1  0.592674  0.509244  0.533277  1
  Ni  Ni174  1  0.597381  0.088772  0.492858  1
  Ni  Ni175  1  0.093291  0.469322  0.551449  1
  Ni  Ni176  1  0.096381  0.049670  0.511623  1
  Ni  Ni177  1  0.412013  0.519087  0.648023  1
  Ni  Ni178  1  0.417601  0.099033  0.607143  1
  Ni  Ni179  1  0.913743  0.558499  0.630685  1
  Ni  Ni180  1  0.921187  0.137711  0.588269  1
  Ni  Ni181  1  0.598361  0.349061  0.607441  1
  Ni  Ni182  1  0.593974  0.928012  0.571776  1
  Ni  Ni183  1  0.099647  0.307767  0.626155  1
  Ni  Ni184  1  0.094711  0.889323  0.590464  1
  Ni  Ni185  1  0.487147  0.367926  0.715777  1
  Ni  Ni186  1  0.420723  0.944724  0.683160  1
  Ni  Ni187  1  0.978172  0.392655  0.698762  1
  Ni  Ni188  1  0.921321  0.983056  0.667107  1
  Ni  Ni189  1  0.580777  0.197371  0.679983  1
  Ni  Ni190  1  0.593716  0.770413  0.650443  1
  Ni  Ni191  1  0.104291  0.155811  0.699798  1
  Ni  Ni192  1  0.089085  0.731225  0.668976  1
