# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80197361
_cell_length_b   23.33363471
_cell_length_c   56.70191392
_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   6353.30759627
_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  0.607125  0.413340  0.316208  1
  Al  Al2  1  0.614942  0.100028  0.281235  1
  Al  Al3  1  0.612339  0.716778  0.353443  1
  Al  Al4  1  0.126303  0.364619  0.293559  1
  Al  Al5  1  0.134221  0.053758  0.256844  1
  Al  Al6  1  0.132968  0.670862  0.330209  1
  Al  Al7  1  0.119466  0.483261  0.310023  1
  Al  Al8  1  0.134562  0.172763  0.271331  1
  Al  Al9  1  0.126970  0.787992  0.347005  1
  Al  Al10  1  0.623704  0.344024  0.271918  1
  Al  Al11  1  0.644272  0.953584  0.345478  1
  Al  Al12  1  0.644512  0.652926  0.308594  1
  Al  Al13  1  0.393504  0.324593  0.348243  1
  Al  Al14  1  0.382266  1.010040  0.311365  1
  Al  Al15  1  0.169329  0.693419  0.280599  1
  Al  Al16  1  0.885399  0.180754  0.313732  1
  Al  Al17  1  0.899550  0.875728  0.271617  1
  Al  Al18  1  0.880975  0.489413  0.351826  1
  Al  Al19  1  0.384778  0.444795  0.363180  1
  Al  Al20  1  0.387926  0.137178  0.325692  1
  Al  Al21  1  0.404624  0.821527  0.283592  1
  Al  Al22  1  0.889936  0.301900  0.328409  1
  Al  Al23  1  0.882632  0.989275  0.291704  1
  Al  Al24  1  0.897892  0.608090  0.365947  1
  Al  Al25  1  0.625966  0.219778  0.259440  1
  Al  Al26  1  0.605490  0.833759  0.335344  1
  Al  Al27  1  0.592169  0.531868  0.296988  1
  Al  Al28  1  0.891082  0.458261  0.266554  1
  Al  Al29  1  0.910633  0.062124  0.336003  1
  Al  Al30  1  0.911271  0.779361  0.303636  1
  Al  Al31  1  0.409082  0.255565  0.304215  1
  Al  Al32  1  0.385309  0.943649  0.269285  1
  Al  Al33  1  0.408928  0.565803  0.341721  1
  Al  Al34  1  0.109322  0.215248  0.359204  1
  Al  Al35  1  0.112031  0.894760  0.319539  1
  Al  Al36  1  0.068304  0.579254  0.281277  1
  Al  Al37  1  0.609361  0.333368  0.429143  1
  Al  Al38  1  0.614808  0.025424  0.391309  1
  Al  Al39  1  0.610525  0.640527  0.466538  1
  Al  Al40  1  0.130037  0.284099  0.404624  1
  Al  Al41  1  0.139536  0.976154  0.366461  1
  Al  Al42  1  0.130271  0.591486  0.442056  1
  Al  Al43  1  0.127670  0.405115  0.418981  1
  Al  Al44  1  0.132882  0.097709  0.380993  1
  Al  Al45  1  0.131039  0.713072  0.456273  1
  Al  Al46  1  0.627781  0.262511  0.384202  1
  Al  Al47  1  0.631279  0.878482  0.458818  1
  Al  Al48  1  0.627980  0.569705  0.421924  1
  Al  Al49  1  0.391738  0.246039  0.460308  1
  Al  Al50  1  0.397607  0.939242  0.422882  1
  Al  Al51  1  0.399826  0.631832  0.386057  1
  Al  Al52  1  0.894966  0.103274  0.425089  1
  Al  Al53  1  0.888382  0.795595  0.389102  1
  Al  Al54  1  0.892850  0.410587  0.463053  1
  Al  Al55  1  0.392661  0.366462  0.474889  1
  Al  Al56  1  0.395307  0.059306  0.437086  1
  Al  Al57  1  0.390741  0.751574  0.400491  1
  Al  Al58  1  0.891577  0.223890  0.439848  1
  Al  Al59  1  0.897735  0.916816  0.402634  1
  Al  Al60  1  0.890909  0.531120  0.477363  1
  Al  Al61  1  0.632575  0.141377  0.368992  1
  Al  Al62  1  0.631287  0.757024  0.444142  1
  Al  Al63  1  0.627585  0.449411  0.406829  1
  Al  Al64  1  0.909418  0.370267  0.373992  1
  Al  Al65  1  0.914608  0.987319  0.447237  1
  Al  Al66  1  0.913139  0.677115  0.411287  1
  Al  Al67  1  0.412553  0.174775  0.414832  1
  Al  Al68  1  0.416211  0.870561  0.379067  1
  Al  Al69  1  0.410537  0.481985  0.452566  1
  Al  Al70  1  0.110722  0.136805  0.470770  1
  Al  Al71  1  0.112517  0.830482  0.433999  1
  Al  Al72  1  0.106852  0.522442  0.397123  1
  Al  Al73  1  0.609888  0.256996  0.541232  1
  Al  Al74  1  0.611903  0.949785  0.503498  1
  Al  Al75  1  0.606230  0.561210  0.576997  1
  Al  Al76  1  0.130864  0.207880  0.516216  1
  Al  Al77  1  0.131532  0.900650  0.478700  1
  Al  Al78  1  0.124706  0.514954  0.553430  1
  Al  Al79  1  0.127475  0.328496  0.530974  1
  Al  Al80  1  0.129591  0.021183  0.493011  1
  Al  Al81  1  0.134059  0.636175  0.566961  1
  Al  Al82  1  0.630703  0.185731  0.495755  1
  Al  Al83  1  0.622615  0.799938  0.570007  1
  Al  Al84  1  0.624834  0.492529  0.533181  1
  Al  Al85  1  0.394660  0.169259  0.571862  1
  Al  Al86  1  0.394461  0.862065  0.534139  1
  Al  Al87  1  0.391162  0.553289  0.497246  1
  Al  Al88  1  0.894771  0.026655  0.537082  1
  Al  Al89  1  0.891402  0.718698  0.499791  1
  Al  Al90  1  0.889559  0.334061  0.575071  1
  Al  Al91  1  0.389866  0.290394  0.587072  1
  Al  Al92  1  0.394856  0.982359  0.549235  1
  Al  Al93  1  0.391153  0.674747  0.511921  1
  Al  Al94  1  0.892404  0.147671  0.551440  1
  Al  Al95  1  0.892170  0.840284  0.514008  1
  Al  Al96  1  0.882905  0.455617  0.589603  1
  Al  Al97  1  0.629779  0.065309  0.481174  1
  Al  Al98  1  0.631700  0.680197  0.555573  1
  Al  Al99  1  0.627134  0.372464  0.518978  1
  Al  Al100  1  0.911719  0.294966  0.485294  1
  Al  Al101  1  0.915589  0.909328  0.558941  1
  Al  Al102  1  0.909924  0.601288  0.522064  1
  Al  Al103  1  0.413080  0.098403  0.526921  1
  Al  Al104  1  0.411916  0.791244  0.489526  1
  Al  Al105  1  0.407633  0.406346  0.564755  1
  Al  Al106  1  0.113022  0.061503  0.582071  1
  Al  Al107  1  0.109302  0.754656  0.544776  1
  Al  Al108  1  0.107833  0.444451  0.508826  1
  Al  Al109  1  0.613359  0.176205  0.651848  1
  Al  Al110  1  0.613513  0.865967  0.614342  1
  Al  Al111  1  0.637132  0.488122  0.686779  1
  Al  Al112  1  0.132505  0.129870  0.627654  1
  Al  Al113  1  0.124549  0.823680  0.590116  1
  Al  Al114  1  0.139809  0.442495  0.664359  1
  Al  Al115  1  0.137042  0.251016  0.642332  1
  Al  Al116  1  0.141466  0.942358  0.604238  1
  Al  Al117  1  0.122891  0.556043  0.684447  1
  Al  Al118  1  0.628937  0.107178  0.607821  1
  Al  Al119  1  0.853112  0.738352  0.675464  1
  Al  Al120  1  0.640175  0.421731  0.644699  1
  Al  Al121  1  0.398737  0.087747  0.684145  1
  Al  Al122  1  0.377929  0.778844  0.647470  1
  Al  Al123  1  0.378169  0.478187  0.610585  1
  Al  Al124  1  0.902974  0.948510  0.646041  1
  Al  Al125  1  0.895471  0.643778  0.609058  1
  Al  Al126  1  0.887879  0.259007  0.684732  1
  Al  Al127  1  0.396475  0.211993  0.696624  1
  Al  Al128  1  0.430272  0.899903  0.659076  1
  Al  Al129  1  0.416951  0.598011  0.620720  1
  Al  Al130  1  0.896138  0.067151  0.662505  1
  Al  Al131  1  0.889473  0.760908  0.625854  1
  Al  Al132  1  0.888220  0.378013  0.699219  1
  Al  Al133  1  0.637663  0.986975  0.592883  1
  Al  Al134  1  0.617817  0.610243  0.672472  1
  Al  Al135  1  0.634515  0.294593  0.630371  1
  Al  Al136  1  0.913119  0.216523  0.596860  1
  Al  Al137  1  0.954136  0.852517  0.674787  1
  Al  Al138  1  0.910410  0.537010  0.636524  1
  Al  Al139  1  0.415316  0.018430  0.639856  1
  Al  Al140  1  0.410102  0.714993  0.602621  1
  Al  Al141  1  0.407499  0.331742  0.674829  1
  Al  Al142  1  0.131359  0.973509  0.689510  1
  Al  Al143  1  0.111170  0.652409  0.652427  1
  Al  Al144  1  0.111808  0.369646  0.620060  1
  Ni  Ni145  1  0.080012  0.399161  0.334432  1
  Ni  Ni146  1  0.094311  0.089296  0.297299  1
  Ni  Ni147  1  0.659210  0.724030  0.274331  1
  Ni  Ni148  1  0.396966  0.445023  0.276587  1
  Ni  Ni149  1  0.430496  0.051922  0.351077  1
  Ni  Ni150  1  0.415054  0.747859  0.313790  1
  Ni  Ni151  1  0.930862  0.266159  0.287768  1
  Ni  Ni152  1  0.938645  0.879326  0.362133  1
  Ni  Ni153  1  0.925398  0.574025  0.324940  1
  Ni  Ni154  1  0.591361  0.226018  0.343604  1
  Ni  Ni155  1  0.604967  0.908193  0.305811  1
  Ni  Ni156  1  0.554009  0.616497  0.269431  1
  Ni  Ni157  1  0.091146  0.321681  0.445191  1
  Ni  Ni158  1  0.097355  1.014551  0.407167  1
  Ni  Ni159  1  0.086386  0.705183  0.371638  1
  Ni  Ni160  1  0.425689  0.360403  0.389072  1
  Ni  Ni161  1  0.432183  0.976342  0.463427  1
  Ni  Ni162  1  0.429200  0.667843  0.426676  1
  Ni  Ni163  1  0.929830  0.186485  0.399004  1
  Ni  Ni164  1  0.930671  0.802358  0.473665  1
  Ni  Ni165  1  0.927651  0.493685  0.436827  1
  Ni  Ni166  1  0.593044  0.148312  0.454952  1
  Ni  Ni167  1  0.594770  0.841043  0.418432  1
  Ni  Ni168  1  0.586389  0.533635  0.381238  1
  Ni  Ni169  1  0.092610  0.245286  0.557060  1
  Ni  Ni170  1  0.094790  0.938086  0.519236  1
  Ni  Ni171  1  0.091770  0.629413  0.482398  1
  Ni  Ni172  1  0.429397  0.283459  0.501111  1
  Ni  Ni173  1  0.436052  0.898136  0.574826  1
  Ni  Ni174  1  0.427671  0.590727  0.537632  1
  Ni  Ni175  1  0.931295  0.110090  0.510872  1
  Ni  Ni176  1  0.936055  0.726588  0.584426  1
  Ni  Ni177  1  0.925086  0.417219  0.548897  1
  Ni  Ni178  1  0.596752  0.071368  0.566992  1
  Ni  Ni179  1  0.593241  0.763928  0.529388  1
  Ni  Ni180  1  0.590258  0.455429  0.492636  1
  Ni  Ni181  1  0.091579  0.165612  0.668295  1
  Ni  Ni182  1  0.097043  0.857745  0.631124  1
  Ni  Ni183  1  0.083796  0.552444  0.593931  1
  Ni  Ni184  1  0.431080  0.205752  0.612460  1
  Ni  Ni185  1  0.468431  0.815274  0.686633  1
  Ni  Ni186  1  0.417474  0.523578  0.650252  1
  Ni  Ni187  1  0.942429  0.032610  0.621631  1
  Ni  Ni188  1  0.363231  0.707741  0.681732  1
  Ni  Ni189  1  0.928130  0.342475  0.658764  1
  Ni  Ni190  1  0.625475  0.986748  0.679477  1
  Ni  Ni191  1  0.607387  0.683912  0.642273  1
  Ni  Ni192  1  0.591945  0.379849  0.604986  1
