# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80234448
_cell_length_b   23.33838594
_cell_length_c   56.68934474
_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   6353.68330909
_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  0.607160  0.413211  0.316316  1
  Al  Al2  1  0.614988  0.099890  0.281343  1
  Al  Al3  1  0.612320  0.716665  0.353553  1
  Al  Al4  1  0.126385  0.364472  0.293660  1
  Al  Al5  1  0.134373  0.053613  0.256949  1
  Al  Al6  1  0.132972  0.670718  0.330312  1
  Al  Al7  1  0.119538  0.483127  0.310124  1
  Al  Al8  1  0.134658  0.172618  0.271439  1
  Al  Al9  1  0.126995  0.787865  0.347108  1
  Al  Al10  1  0.623794  0.343875  0.272025  1
  Al  Al11  1  0.644251  0.953451  0.345582  1
  Al  Al12  1  0.644489  0.652781  0.308701  1
  Al  Al13  1  0.393412  0.324457  0.348346  1
  Al  Al14  1  0.382209  1.009888  0.311458  1
  Al  Al15  1  0.169325  0.693267  0.280696  1
  Al  Al16  1  0.885324  0.180613  0.313836  1
  Al  Al17  1  0.899551  0.875582  0.271717  1
  Al  Al18  1  0.880930  0.489278  0.351929  1
  Al  Al19  1  0.384728  0.444673  0.363288  1
  Al  Al20  1  0.387835  0.137059  0.325800  1
  Al  Al21  1  0.404653  0.821384  0.283695  1
  Al  Al22  1  0.889839  0.301787  0.328513  1
  Al  Al23  1  0.882581  0.989135  0.291800  1
  Al  Al24  1  0.897736  0.607979  0.366048  1
  Al  Al25  1  0.626069  0.219612  0.259544  1
  Al  Al26  1  0.605508  0.833618  0.335438  1
  Al  Al27  1  0.592235  0.531718  0.297078  1
  Al  Al28  1  0.891159  0.458098  0.266653  1
  Al  Al29  1  0.910574  0.061969  0.336110  1
  Al  Al30  1  0.911304  0.779203  0.303733  1
  Al  Al31  1  0.409084  0.255428  0.304317  1
  Al  Al32  1  0.385267  0.943479  0.269375  1
  Al  Al33  1  0.408859  0.565653  0.341816  1
  Al  Al34  1  0.109330  0.215135  0.359304  1
  Al  Al35  1  0.112012  0.894629  0.319639  1
  Al  Al36  1  0.068348  0.579118  0.281376  1
  Al  Al37  1  0.609337  0.333243  0.429254  1
  Al  Al38  1  0.614768  0.025294  0.391413  1
  Al  Al39  1  0.610498  0.640405  0.466648  1
  Al  Al40  1  0.130075  0.283974  0.404727  1
  Al  Al41  1  0.139540  0.976010  0.366561  1
  Al  Al42  1  0.130286  0.591367  0.442159  1
  Al  Al43  1  0.127710  0.405006  0.419091  1
  Al  Al44  1  0.132927  0.097590  0.381096  1
  Al  Al45  1  0.131078  0.712970  0.456382  1
  Al  Al46  1  0.627828  0.262402  0.384310  1
  Al  Al47  1  0.631299  0.878385  0.458923  1
  Al  Al48  1  0.628002  0.569599  0.422030  1
  Al  Al49  1  0.391633  0.245921  0.460414  1
  Al  Al50  1  0.397484  0.939117  0.422983  1
  Al  Al51  1  0.399683  0.631698  0.386158  1
  Al  Al52  1  0.894860  0.103152  0.425189  1
  Al  Al53  1  0.888291  0.795465  0.389207  1
  Al  Al54  1  0.892741  0.410473  0.463157  1
  Al  Al55  1  0.392556  0.366362  0.474999  1
  Al  Al56  1  0.395203  0.059199  0.437190  1
  Al  Al57  1  0.390645  0.751457  0.400599  1
  Al  Al58  1  0.891476  0.223786  0.439954  1
  Al  Al59  1  0.897604  0.916703  0.402737  1
  Al  Al60  1  0.890816  0.531021  0.477473  1
  Al  Al61  1  0.632630  0.141239  0.369092  1
  Al  Al62  1  0.631319  0.756905  0.444246  1
  Al  Al63  1  0.627622  0.449288  0.406934  1
  Al  Al64  1  0.909391  0.370144  0.374102  1
  Al  Al65  1  0.914550  0.987205  0.447346  1
  Al  Al66  1  0.913079  0.676994  0.411396  1
  Al  Al67  1  0.412512  0.174665  0.414930  1
  Al  Al68  1  0.416131  0.870426  0.379163  1
  Al  Al69  1  0.410492  0.481888  0.452669  1
  Al  Al70  1  0.110695  0.136702  0.470869  1
  Al  Al71  1  0.112480  0.830378  0.434100  1
  Al  Al72  1  0.106830  0.522332  0.397223  1
  Al  Al73  1  0.609850  0.256895  0.541346  1
  Al  Al74  1  0.611870  0.949672  0.503606  1
  Al  Al75  1  0.606231  0.561134  0.577113  1
  Al  Al76  1  0.130886  0.207774  0.516322  1
  Al  Al77  1  0.131546  0.900539  0.478803  1
  Al  Al78  1  0.124757  0.514857  0.553538  1
  Al  Al79  1  0.127502  0.328408  0.531087  1
  Al  Al80  1  0.129621  0.021087  0.493119  1
  Al  Al81  1  0.134071  0.636095  0.567069  1
  Al  Al82  1  0.630729  0.185639  0.495862  1
  Al  Al83  1  0.622679  0.799862  0.570118  1
  Al  Al84  1  0.624878  0.492443  0.533293  1
  Al  Al85  1  0.394534  0.169158  0.571966  1
  Al  Al86  1  0.394360  0.861961  0.534245  1
  Al  Al87  1  0.391063  0.553175  0.497353  1
  Al  Al88  1  0.894652  0.026554  0.537185  1
  Al  Al89  1  0.891284  0.718590  0.499894  1
  Al  Al90  1  0.889435  0.333970  0.575179  1
  Al  Al91  1  0.389732  0.290321  0.587183  1
  Al  Al92  1  0.394740  0.982272  0.549341  1
  Al  Al93  1  0.391042  0.674655  0.512029  1
  Al  Al94  1  0.892287  0.147586  0.551548  1
  Al  Al95  1  0.892076  0.840193  0.514116  1
  Al  Al96  1  0.882821  0.455550  0.589715  1
  Al  Al97  1  0.629806  0.065198  0.481276  1
  Al  Al98  1  0.631716  0.680103  0.555677  1
  Al  Al99  1  0.627159  0.372361  0.519086  1
  Al  Al100  1  0.911667  0.294858  0.485407  1
  Al  Al101  1  0.915532  0.909228  0.559053  1
  Al  Al102  1  0.909882  0.601182  0.522175  1
  Al  Al103  1  0.413025  0.098317  0.527021  1
  Al  Al104  1  0.411864  0.791155  0.489627  1
  Al  Al105  1  0.407594  0.406266  0.564863  1
  Al  Al106  1  0.112971  0.061416  0.582174  1
  Al  Al107  1  0.109283  0.754566  0.544879  1
  Al  Al108  1  0.107812  0.444355  0.508930  1
  Al  Al109  1  0.613278  0.176132  0.651959  1
  Al  Al110  1  0.613503  0.865907  0.614459  1
  Al  Al111  1  0.637095  0.488081  0.686901  1
  Al  Al112  1  0.132523  0.129773  0.627763  1
  Al  Al113  1  0.124626  0.823581  0.590227  1
  Al  Al114  1  0.139780  0.442425  0.664476  1
  Al  Al115  1  0.137038  0.250947  0.642440  1
  Al  Al116  1  0.141432  0.942282  0.604347  1
  Al  Al117  1  0.122811  0.555978  0.684559  1
  Al  Al118  1  0.628950  0.107103  0.607929  1
  Al  Al119  1  0.853037  0.738293  0.675579  1
  Al  Al120  1  0.640153  0.421672  0.644817  1
  Al  Al121  1  0.398568  0.087685  0.684251  1
  Al  Al122  1  0.377873  0.778779  0.647574  1
  Al  Al123  1  0.378111  0.478109  0.610694  1
  Al  Al124  1  0.902824  0.948433  0.646152  1
  Al  Al125  1  0.895367  0.643695  0.609168  1
  Al  Al126  1  0.887704  0.258942  0.684837  1
  Al  Al127  1  0.396293  0.211948  0.696731  1
  Al  Al128  1  0.430127  0.899842  0.659198  1
  Al  Al129  1  0.416854  0.597942  0.620838  1
  Al  Al130  1  0.895977  0.067088  0.662615  1
  Al  Al131  1  0.889390  0.760842  0.625964  1
  Al  Al132  1  0.887989  0.377947  0.699326  1
  Al  Al133  1  0.637634  0.986887  0.592987  1
  Al  Al134  1  0.617709  0.610176  0.672581  1
  Al  Al135  1  0.634527  0.294501  0.630476  1
  Al  Al136  1  0.913032  0.216425  0.596972  1
  Al  Al137  1  0.954014  0.852442  0.674900  1
  Al  Al138  1  0.910350  0.536931  0.636636  1
  Al  Al139  1  0.415202  0.018349  0.639959  1
  Al  Al140  1  0.410042  0.714895  0.602722  1
  Al  Al141  1  0.407374  0.331670  0.674933  1
  Al  Al142  1  0.131202  0.973462  0.689623  1
  Al  Al143  1  0.111058  0.652357  0.652542  1
  Al  Al144  1  0.111788  0.369591  0.620166  1
  Ni  Ni145  1  0.080024  0.399034  0.334537  1
  Ni  Ni146  1  0.094314  0.089154  0.297408  1
  Ni  Ni147  1  0.659195  0.723873  0.274430  1
  Ni  Ni148  1  0.397051  0.444865  0.276687  1
  Ni  Ni149  1  0.430429  0.051786  0.351175  1
  Ni  Ni150  1  0.415072  0.747708  0.313892  1
  Ni  Ni151  1  0.930912  0.266016  0.287871  1
  Ni  Ni152  1  0.938574  0.879192  0.362235  1
  Ni  Ni153  1  0.925357  0.573883  0.325040  1
  Ni  Ni154  1  0.591372  0.225895  0.343710  1
  Ni  Ni155  1  0.604932  0.908063  0.305911  1
  Ni  Ni156  1  0.554036  0.616360  0.269529  1
  Ni  Ni157  1  0.091099  0.321567  0.445299  1
  Ni  Ni158  1  0.097289  1.014429  0.407270  1
  Ni  Ni159  1  0.086345  0.705060  0.371743  1
  Ni  Ni160  1  0.425679  0.360283  0.389179  1
  Ni  Ni161  1  0.432144  0.976235  0.463532  1
  Ni  Ni162  1  0.429165  0.667726  0.426782  1
  Ni  Ni163  1  0.929816  0.186366  0.399105  1
  Ni  Ni164  1  0.930632  0.802255  0.473770  1
  Ni  Ni165  1  0.927631  0.493575  0.436932  1
  Ni  Ni166  1  0.592996  0.148202  0.455055  1
  Ni  Ni167  1  0.594705  0.840927  0.418535  1
  Ni  Ni168  1  0.586355  0.533513  0.381341  1
  Ni  Ni169  1  0.092546  0.245194  0.557170  1
  Ni  Ni170  1  0.094731  0.937985  0.519343  1
  Ni  Ni171  1  0.091729  0.629305  0.482506  1
  Ni  Ni172  1  0.429366  0.283358  0.501221  1
  Ni  Ni173  1  0.436006  0.898047  0.574935  1
  Ni  Ni174  1  0.427656  0.590633  0.537741  1
  Ni  Ni175  1  0.931263  0.109993  0.510976  1
  Ni  Ni176  1  0.936017  0.726500  0.584533  1
  Ni  Ni177  1  0.925073  0.417131  0.549006  1
  Ni  Ni178  1  0.596683  0.071277  0.567096  1
  Ni  Ni179  1  0.593197  0.763834  0.529494  1
  Ni  Ni180  1  0.590217  0.455325  0.492743  1
  Ni  Ni181  1  0.091449  0.165544  0.668405  1
  Ni  Ni182  1  0.097005  0.857677  0.631235  1
  Ni  Ni183  1  0.083788  0.552368  0.594041  1
  Ni  Ni184  1  0.430990  0.205665  0.612566  1
  Ni  Ni185  1  0.468326  0.815200  0.686747  1
  Ni  Ni186  1  0.417430  0.523497  0.650365  1
  Ni  Ni187  1  0.942338  0.032526  0.621739  1
  Ni  Ni188  1  0.363167  0.707687  0.681846  1
  Ni  Ni189  1  0.928048  0.342406  0.658868  1
  Ni  Ni190  1  0.625311  0.986695  0.679588  1
  Ni  Ni191  1  0.607290  0.683852  0.642384  1
  Ni  Ni192  1  0.591933  0.379774  0.605101  1
