# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95612560
_cell_length_b   17.18953968
_cell_length_c   48.59542801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4140.01545879
_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  0.999978  0.200553  0.294795  1
  Al  Al2  1  0.042563  0.991017  0.268812  1
  Al  Al3  1  1.002647  0.594604  0.280336  1
  Al  Al4  1  0.362196  0.938582  0.316364  1
  Al  Al5  1  0.361104  0.722143  0.279095  1
  Al  Al6  1  0.354993  0.327910  0.294240  1
  Al  Al7  1  0.637101  0.075705  0.302294  1
  Al  Al8  1  0.652767  0.863506  0.273955  1
  Al  Al9  1  0.642763  0.469536  0.288713  1
  Al  Al10  1  0.969867  0.019142  0.352805  1
  Al  Al11  1  0.998962  0.807986  0.322691  1
  Al  Al12  1  0.998600  0.412543  0.337765  1
  Al  Al13  1  0.345670  0.752450  0.363566  1
  Al  Al14  1  0.360819  0.541280  0.331215  1
  Al  Al15  1  0.354777  0.145792  0.346843  1
  Al  Al16  1  0.648566  0.887613  0.358360  1
  Al  Al17  1  0.639338  0.678028  0.326062  1
  Al  Al18  1  0.634442  0.283926  0.341054  1
  Al  Al19  1  0.005466  0.832989  0.403320  1
  Al  Al20  1  1.000872  0.621727  0.367947  1
  Al  Al21  1  0.997973  0.225867  0.383265  1
  Al  Al22  1  0.359030  0.567372  0.413842  1
  Al  Al23  1  0.345067  0.355232  0.379091  1
  Al  Al24  1  0.358255  0.964047  0.398417  1
  Al  Al25  1  0.641756  0.702348  0.408569  1
  Al  Al26  1  0.652227  0.492792  0.373545  1
  Al  Al27  1  0.648150  0.099406  0.389225  1
  Al  Al28  1  1.001028  0.647667  0.452191  1
  Al  Al29  1  1.000207  0.437008  0.418934  1
  Al  Al30  1  1.001403  0.044115  0.435976  1
  Al  Al31  1  0.351605  0.381476  0.462886  1
  Al  Al32  1  0.354851  0.171470  0.430120  1
  Al  Al33  1  0.353773  0.777760  0.447148  1
  Al  Al34  1  0.648585  0.517784  0.457287  1
  Al  Al35  1  0.638823  0.307396  0.423983  1
  Al  Al36  1  0.648114  0.913333  0.441693  1
  Al  Al37  1  0.002850  0.462494  0.501660  1
  Al  Al38  1  1.000599  0.252127  0.468093  1
  Al  Al39  1  1.002051  0.858482  0.486086  1
  Al  Al40  1  0.356177  0.197052  0.514245  1
  Al  Al41  1  0.360056  0.988481  0.481014  1
  Al  Al42  1  0.358043  0.592711  0.496600  1
  Al  Al43  1  0.644923  0.332556  0.506729  1
  Al  Al44  1  0.648980  0.123987  0.473487  1
  Al  Al45  1  0.646965  0.728274  0.491139  1
  Al  Al46  1  0.003673  0.276927  0.551783  1
  Al  Al47  1  0.004518  0.068907  0.519632  1
  Al  Al48  1  0.003891  0.673309  0.535549  1
  Al  Al49  1  0.366100  0.013638  0.563736  1
  Al  Al50  1  0.356444  0.803209  0.530447  1
  Al  Al51  1  0.356800  0.407631  0.546073  1
  Al  Al52  1  0.650224  0.149525  0.557606  1
  Al  Al53  1  0.653280  0.939478  0.524837  1
  Al  Al54  1  0.651191  0.543226  0.540597  1
  Al  Al55  1  0.006338  0.095109  0.604384  1
  Al  Al56  1  0.004835  0.883980  0.568816  1
  Al  Al57  1  0.999976  0.487993  0.584411  1
  Al  Al58  1  0.352849  0.828275  0.614173  1
  Al  Al59  1  0.363067  0.618613  0.579198  1
  Al  Al60  1  0.356950  0.221584  0.598557  1
  Al  Al61  1  0.659948  0.965764  0.608627  1
  Al  Al62  1  0.646068  0.753609  0.573912  1
  Al  Al63  1  0.646782  0.356914  0.589363  1
  Al  Al64  1  0.006720  0.908620  0.649962  1
  Al  Al65  1  0.004541  0.699269  0.619750  1
  Al  Al66  1  0.032476  0.301881  0.634884  1
  Al  Al67  1  0.365708  0.643104  0.661618  1
  Al  Al68  1  0.356757  0.433331  0.629398  1
  Al  Al69  1  0.370737  0.037483  0.646610  1
  Al  Al70  1  0.644060  0.779821  0.656536  1
  Al  Al71  1  0.658982  0.568502  0.624158  1
  Al  Al72  1  0.651233  0.175860  0.641153  1
  Al  Al73  1  1.000414  0.726376  0.707303  1
  Al  Al74  1  0.004805  0.513027  0.665089  1
  Al  Al75  1  0.006698  0.121030  0.692376  1
  Al  Al76  1  0.351256  0.456778  0.712419  1
  Al  Al77  1  0.365743  0.247584  0.684909  1
  Al  Al78  1  0.361838  0.851724  0.698957  1
  Al  Al79  1  0.644922  0.597179  0.708306  1
  Al  Al80  1  0.642627  0.381849  0.671422  1
  Al  Al81  1  0.650421  0.993608  0.693442  1
  Ni  Ni82  1  0.854828  0.941264  0.312885  1
  Ni  Ni83  1  0.856373  0.732963  0.284261  1
  Ni  Ni84  1  0.850058  0.338837  0.299258  1
  Ni  Ni85  1  0.144395  0.067840  0.309967  1
  Ni  Ni86  1  0.156211  0.855822  0.279929  1
  Ni  Ni87  1  0.147518  0.461563  0.294625  1
  Ni  Ni88  1  0.839035  0.754254  0.365395  1
  Ni  Ni89  1  0.855590  0.545845  0.327632  1
  Ni  Ni90  1  0.848591  0.152664  0.342114  1
  Ni  Ni91  1  0.154996  0.889176  0.359867  1
  Ni  Ni92  1  0.145115  0.671754  0.322879  1
  Ni  Ni93  1  0.140342  0.276277  0.337987  1
  Ni  Ni94  1  0.852264  0.570283  0.412753  1
  Ni  Ni95  1  0.838502  0.358704  0.380603  1
  Ni  Ni96  1  0.849864  0.965624  0.397561  1
  Ni  Ni97  1  0.148886  0.698937  0.407761  1
  Ni  Ni98  1  0.159387  0.490477  0.375507  1
  Ni  Ni99  1  0.153948  0.094319  0.391167  1
  Ni  Ni100  1  0.845583  0.384781  0.462820  1
  Ni  Ni101  1  0.848346  0.175945  0.428452  1
  Ni  Ni102  1  0.847796  0.780637  0.447146  1
  Ni  Ni103  1  0.154996  0.514967  0.457710  1
  Ni  Ni104  1  0.145726  0.303009  0.423340  1
  Ni  Ni105  1  0.154439  0.911300  0.442215  1
  Ni  Ni106  1  0.849085  0.200600  0.512629  1
  Ni  Ni107  1  0.853256  0.991795  0.480407  1
  Ni  Ni108  1  0.851316  0.595622  0.496419  1
  Ni  Ni109  1  0.151733  0.329210  0.507337  1
  Ni  Ni110  1  0.156080  0.120454  0.475109  1
  Ni  Ni111  1  0.153674  0.725355  0.491322  1
  Ni  Ni112  1  0.859156  0.017925  0.564346  1
  Ni  Ni113  1  0.850023  0.806015  0.530039  1
  Ni  Ni114  1  0.850437  0.409699  0.545542  1
  Ni  Ni115  1  0.156814  0.145116  0.559268  1
  Ni  Ni116  1  0.159296  0.936214  0.524918  1
  Ni  Ni117  1  0.157222  0.540356  0.540586  1
  Ni  Ni118  1  0.845728  0.830531  0.612256  1
  Ni  Ni119  1  0.855977  0.622012  0.579977  1
  Ni  Ni120  1  0.850831  0.226568  0.596568  1
  Ni  Ni121  1  0.166595  0.962389  0.607124  1
  Ni  Ni122  1  0.152862  0.750720  0.574963  1
  Ni  Ni123  1  0.155251  0.355337  0.590234  1
  Ni  Ni124  1  0.859912  0.649288  0.664764  1
  Ni  Ni125  1  0.849893  0.432006  0.627855  1
  Ni  Ni126  1  0.864672  0.044903  0.649623  1
  Ni  Ni127  1  0.149178  0.775249  0.660078  1
  Ni  Ni128  1  0.165602  0.566609  0.622402  1
  Ni  Ni129  1  0.157329  0.168702  0.645321  1
  Ni  Ni130  1  0.852540  0.462245  0.707610  1
  Ni  Ni131  1  0.863802  0.254753  0.678248  1
  Ni  Ni132  1  0.857187  0.859752  0.693086  1
  Ni  Ni133  1  0.149490  0.588254  0.703375  1
  Ni  Ni134  1  0.145356  0.379543  0.674627  1
  Ni  Ni135  1  0.155207  0.982550  0.688414  1
