# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.27319085
_cell_length_b   6.28156880
_cell_length_c   49.76663202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.07640247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4013.00415954
_cell_formula_units_Z   27
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  0.150682  0.957978  0.293756  1
  Al  Al2  1  0.421264  0.933383  0.318663  1
  Al  Al3  1  0.844463  0.143916  0.283309  1
  Al  Al4  1  0.339556  0.561187  0.308665  1
  Al  Al5  1  0.765690  0.645144  0.281923  1
  Al  Al6  1  0.043717  0.702140  0.286226  1
  Al  Al7  1  0.220997  0.300149  0.301734  1
  Al  Al8  1  0.526326  0.211307  0.321508  1
  Al  Al9  1  0.979649  0.364618  0.290129  1
  Al  Al10  1  0.005192  0.688514  0.344411  1
  Al  Al11  1  0.286062  0.634187  0.363736  1
  Al  Al12  1  0.711425  0.819717  0.332710  1
  Al  Al13  1  0.198100  0.313382  0.356605  1
  Al  Al14  1  0.629879  0.488155  0.320955  1
  Al  Al15  1  0.900037  0.409467  0.339608  1
  Al  Al16  1  0.092189  0.039028  0.353193  1
  Al  Al17  1  0.377736  0.945716  0.371538  1
  Al  Al18  1  0.806775  0.115600  0.338198  1
  Al  Al19  1  0.857837  0.456225  0.396927  1
  Al  Al20  1  0.142407  0.375742  0.413363  1
  Al  Al21  1  0.573219  0.535079  0.380329  1
  Al  Al22  1  0.049812  0.058793  0.407047  1
  Al  Al23  1  0.477828  0.228121  0.373876  1
  Al  Al24  1  0.764772  0.141467  0.391224  1
  Al  Al25  1  0.951211  0.776996  0.403375  1
  Al  Al26  1  0.233566  0.694237  0.419923  1
  Al  Al27  1  0.665357  0.860939  0.387735  1
  Al  Al28  1  0.713539  0.204896  0.447341  1
  Al  Al29  1  0.998859  0.121162  0.463875  1
  Al  Al30  1  0.427590  0.289394  0.430604  1
  Al  Al31  1  0.906400  0.802967  0.457361  1
  Al  Al32  1  0.334836  0.972981  0.424388  1
  Al  Al33  1  0.620842  0.886664  0.441117  1
  Al  Al34  1  0.806527  0.522026  0.453647  1
  Al  Al35  1  0.091229  0.438006  0.470223  1
  Al  Al36  1  0.520532  0.607422  0.436910  1
  Al  Al37  1  0.569748  0.950518  0.497185  1
  Al  Al38  1  0.855900  0.864021  0.513914  1
  Al  Al39  1  0.283597  0.037014  0.480456  1
  Al  Al40  1  0.763143  0.547565  0.507501  1
  Al  Al41  1  0.191479  0.719400  0.473903  1
  Al  Al42  1  0.476965  0.633245  0.490750  1
  Al  Al43  1  0.662532  0.267790  0.503621  1
  Al  Al44  1  0.948018  0.181635  0.520468  1
  Al  Al45  1  0.376354  0.353470  0.486870  1
  Al  Al46  1  0.425958  0.696139  0.547030  1
  Al  Al47  1  0.711906  0.611641  0.563767  1
  Al  Al48  1  0.140638  0.779874  0.530496  1
  Al  Al49  1  0.618965  0.293614  0.557461  1
  Al  Al50  1  0.048268  0.463029  0.524148  1
  Al  Al51  1  0.332970  0.379010  0.540724  1
  Al  Al52  1  0.518655  0.014371  0.553254  1
  Al  Al53  1  0.804661  0.928055  0.569983  1
  Al  Al54  1  0.233097  0.098069  0.537010  1
  Al  Al55  1  0.281660  0.444810  0.597444  1
  Al  Al56  1  0.566278  0.365956  0.614041  1
  Al  Al57  1  0.997090  0.525293  0.581008  1
  Al  Al58  1  0.474139  0.040096  0.606636  1
  Al  Al59  1  0.905931  0.206798  0.574448  1
  Al  Al60  1  0.188285  0.124040  0.590996  1
  Al  Al61  1  0.374725  0.759568  0.603147  1
  Al  Al62  1  0.661669  0.672914  0.620495  1
  Al  Al63  1  0.089684  0.842242  0.587324  1
  Al  Al64  1  0.134305  0.212522  0.649960  1
  Al  Al65  1  0.428072  0.081319  0.661661  1
  Al  Al66  1  0.853435  0.266849  0.630635  1
  Al  Al67  1  0.332721  0.785435  0.656173  1
  Al  Al68  1  0.761761  0.955319  0.622833  1
  Al  Al69  1  0.047308  0.862008  0.641178  1
  Al  Al70  1  0.239460  0.491569  0.654763  1
  Al  Al71  1  0.509618  0.412881  0.673416  1
  Al  Al72  1  0.941397  0.587654  0.637766  1
  Al  Al73  1  0.988814  0.943058  0.700615  1
  Al  Al74  1  0.295034  0.757120  0.711062  1
  Al  Al75  1  0.718233  0.967652  0.675708  1
  Al  Al76  1  0.159848  0.536418  0.704242  1
  Al  Al77  1  0.613170  0.689728  0.672862  1
  Al  Al78  1  0.918500  0.600887  0.692637  1
  Al  Al79  1  0.095780  0.198895  0.708145  1
  Al  Al80  1  0.373807  0.255892  0.712448  1
  Al  Al81  1  0.799940  0.339848  0.685706  1
  Ni  Ni82  1  0.407357  0.195974  0.282699  1
  Ni  Ni83  1  0.693433  0.091939  0.297424  1
  Ni  Ni84  1  0.980562  0.028271  0.317636  1
  Ni  Ni85  1  0.325728  0.901972  0.280592  1
  Ni  Ni86  1  0.583636  0.851187  0.295583  1
  Ni  Ni87  1  0.876850  0.764957  0.310322  1
  Ni  Ni88  1  0.261499  0.944128  0.332193  1
  Ni  Ni89  1  0.552285  0.851524  0.350554  1
  Ni  Ni90  1  0.839076  0.769519  0.366292  1
  Ni  Ni91  1  0.164819  0.667025  0.327841  1
  Ni  Ni92  1  0.452776  0.581406  0.345247  1
  Ni  Ni93  1  0.734663  0.491207  0.361990  1
  Ni  Ni94  1  0.119750  0.687966  0.381482  1
  Ni  Ni95  1  0.406882  0.599424  0.399434  1
  Ni  Ni96  1  0.692391  0.515232  0.416026  1
  Ni  Ni97  1  0.021862  0.404681  0.378113  1
  Ni  Ni98  1  0.306949  0.321659  0.395183  1
  Ni  Ni99  1  0.592401  0.232493  0.412171  1
  Ni  Ni100  1  0.977781  0.431587  0.432348  1
  Ni  Ni101  1  0.262231  0.348128  0.449018  1
  Ni  Ni102  1  0.548407  0.261542  0.465912  1
  Ni  Ni103  1  0.878707  0.148507  0.428646  1
  Ni  Ni104  1  0.163052  0.065651  0.444982  1
  Ni  Ni105  1  0.448824  0.979265  0.461950  1
  Ni  Ni106  1  0.834392  0.175801  0.482615  1
  Ni  Ni107  1  0.119283  0.091767  0.499209  1
  Ni  Ni108  1  0.404509  0.007294  0.515733  1
  Ni  Ni109  1  0.734988  0.893742  0.478638  1
  Ni  Ni110  1  0.020214  0.809268  0.495162  1
  Ni  Ni111  1  0.305105  0.725235  0.511756  1
  Ni  Ni112  1  0.690673  0.921770  0.532421  1
  Ni  Ni113  1  0.976445  0.835385  0.549389  1
  Ni  Ni114  1  0.260790  0.752529  0.565725  1
  Ni  Ni115  1  0.591090  0.639493  0.528459  1
  Ni  Ni116  1  0.877266  0.552907  0.545353  1
  Ni  Ni117  1  0.161715  0.469448  0.562023  1
  Ni  Ni118  1  0.547096  0.668543  0.582200  1
  Ni  Ni119  1  0.832548  0.579377  0.599188  1
  Ni  Ni120  1  0.117634  0.496355  0.616258  1
  Ni  Ni121  1  0.447105  0.385803  0.578345  1
  Ni  Ni122  1  0.732615  0.301611  0.594937  1
  Ni  Ni123  1  0.019747  0.213069  0.612889  1
  Ni  Ni124  1  0.404834  0.409829  0.632381  1
  Ni  Ni125  1  0.686721  0.319629  0.649124  1
  Ni  Ni126  1  0.974678  0.234010  0.666530  1
  Ni  Ni127  1  0.300421  0.131516  0.628079  1
  Ni  Ni128  1  0.587212  0.049511  0.643817  1
  Ni  Ni129  1  0.877998  0.956907  0.662178  1
  Ni  Ni130  1  0.262647  0.136078  0.684049  1
  Ni  Ni131  1  0.555861  0.049848  0.698788  1
  Ni  Ni132  1  0.813769  0.999063  0.713779  1
  Ni  Ni133  1  0.158935  0.872765  0.676735  1
  Ni  Ni134  1  0.446064  0.809096  0.696947  1
  Ni  Ni135  1  0.732140  0.705061  0.711672  1
