# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86436768
_cell_length_b   25.57342068
_cell_length_c   50.55127585
_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   6288.5039468
_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  0.596563  0.871897  0.331775  1
  Al  Al2  1  0.610280  0.501923  0.365142  1
  Al  Al3  1  0.606861  0.256437  0.294188  1
  Al  Al4  1  0.049978  0.854111  0.295945  1
  Al  Al5  1  0.136077  0.471508  0.334822  1
  Al  Al6  1  0.133168  0.095744  0.371248  1
  Al  Al7  1  0.129838  0.944546  0.325273  1
  Al  Al8  1  0.130249  0.568230  0.362828  1
  Al  Al9  1  0.123009  0.320843  0.288422  1
  Al  Al10  1  0.636598  0.710622  0.383387  1
  Al  Al11  1  0.635318  0.463884  0.310511  1
  Al  Al12  1  0.632537  0.086329  0.348570  1
  Al  Al13  1  0.363984  0.782503  0.355111  1
  Al  Al14  1  0.372298  0.536835  0.278598  1
  Al  Al15  1  0.394312  0.160687  0.316078  1
  Al  Al16  1  0.877968  0.681667  0.299132  1
  Al  Al17  1  0.884013  0.301890  0.337486  1
  Al  Al18  1  0.875763  0.926394  0.373079  1
  Al  Al19  1  0.372320  0.880191  0.382569  1
  Al  Al20  1  0.376404  0.633511  0.306282  1
  Al  Al21  1  0.379550  0.256196  0.345263  1
  Al  Al22  1  0.868654  0.774912  0.332557  1
  Al  Al23  1  0.877298  0.398908  0.365321  1
  Al  Al24  1  0.897514  0.155343  0.290094  1
  Al  Al25  1  0.628430  0.615195  0.354428  1
  Al  Al26  1  0.623356  0.371671  0.280216  1
  Al  Al27  1  0.628496  0.990190  0.316239  1
  Al  Al28  1  0.896795  0.815145  0.384951  1
  Al  Al29  1  0.902353  0.564733  0.310797  1
  Al  Al30  1  0.905067  0.187855  0.346199  1
  Al  Al31  1  0.351937  0.755463  0.300722  1
  Al  Al32  1  0.400303  0.368859  0.333185  1
  Al  Al33  1  0.398597  0.992558  0.370006  1
  Al  Al34  1  0.107561  0.680053  0.351694  1
  Al  Al35  1  0.128590  0.434709  0.282273  1
  Al  Al36  1  0.126905  0.060224  0.316398  1
  Al  Al37  1  0.609588  0.747969  0.440387  1
  Al  Al38  1  0.607761  0.371985  0.476936  1
  Al  Al39  1  0.608198  0.124955  0.402950  1
  Al  Al40  1  0.133695  0.719963  0.407944  1
  Al  Al41  1  0.129321  0.343363  0.445737  1
  Al  Al42  1  0.127855  0.967085  0.482548  1
  Al  Al43  1  0.128837  0.816286  0.437659  1
  Al  Al44  1  0.129596  0.439511  0.474434  1
  Al  Al45  1  0.131261  0.192428  0.399945  1
  Al  Al46  1  0.630115  0.581557  0.495478  1
  Al  Al47  1  0.629053  0.334703  0.421162  1
  Al  Al48  1  0.627523  0.958312  0.458102  1
  Al  Al49  1  0.380651  0.654996  0.464113  1
  Al  Al50  1  0.378971  0.408323  0.389513  1
  Al  Al51  1  0.377560  0.031519  0.426366  1
  Al  Al52  1  0.880823  0.550226  0.410886  1
  Al  Al53  1  0.879552  0.173817  0.448112  1
  Al  Al54  1  0.879701  0.797370  0.485514  1
  Al  Al55  1  0.379140  0.751448  0.493277  1
  Al  Al56  1  0.380914  0.504252  0.418523  1
  Al  Al57  1  0.378361  0.127810  0.455801  1
  Al  Al58  1  0.881227  0.646543  0.439421  1
  Al  Al59  1  0.879162  0.269867  0.477060  1
  Al  Al60  1  0.876566  0.022658  0.401515  1
  Al  Al61  1  0.629385  0.485589  0.466573  1
  Al  Al62  1  0.633396  0.238345  0.392322  1
  Al  Al63  1  0.627953  0.862592  0.430210  1
  Al  Al64  1  0.901802  0.683594  0.495361  1
  Al  Al65  1  0.901230  0.436315  0.421288  1
  Al  Al66  1  0.899970  0.059797  0.457992  1
  Al  Al67  1  0.403609  0.617873  0.407962  1
  Al  Al68  1  0.401618  0.241465  0.445477  1
  Al  Al69  1  0.401262  0.865394  0.483269  1
  Al  Al70  1  0.108466  0.553191  0.464018  1
  Al  Al71  1  0.108636  0.306583  0.390249  1
  Al  Al72  1  0.104378  0.930183  0.426906  1
  Al  Al73  1  0.607699  0.618943  0.551384  1
  Al  Al74  1  0.605708  0.242535  0.588899  1
  Al  Al75  1  0.608056  0.995014  0.513592  1
  Al  Al76  1  0.130155  0.590541  0.519801  1
  Al  Al77  1  0.128090  0.213865  0.557440  1
  Al  Al78  1  0.132752  0.837750  0.595346  1
  Al  Al79  1  0.129765  0.686590  0.548749  1
  Al  Al80  1  0.128495  0.310182  0.585975  1
  Al  Al81  1  0.129616  0.063037  0.511347  1
  Al  Al82  1  0.630346  0.452084  0.607348  1
  Al  Al83  1  0.628667  0.205411  0.532748  1
  Al  Al84  1  0.631757  0.828888  0.570495  1
  Al  Al85  1  0.380264  0.525704  0.575699  1
  Al  Al86  1  0.379202  0.278850  0.501383  1
  Al  Al87  1  0.381795  0.902096  0.538759  1
  Al  Al88  1  0.879722  0.420897  0.522427  1
  Al  Al89  1  0.880480  0.044122  0.559202  1
  Al  Al90  1  0.878056  0.667979  0.596916  1
  Al  Al91  1  0.375921  0.622063  0.604539  1
  Al  Al92  1  0.379933  0.374819  0.530288  1
  Al  Al93  1  0.381365  0.997815  0.566651  1
  Al  Al94  1  0.879996  0.517045  0.551124  1
  Al  Al95  1  0.875622  0.140445  0.588917  1
  Al  Al96  1  0.881462  0.893323  0.514313  1
  Al  Al97  1  0.628403  0.356155  0.578338  1
  Al  Al98  1  0.630178  0.108960  0.503584  1
  Al  Al99  1  0.630957  0.732598  0.541060  1
  Al  Al100  1  0.900681  0.553825  0.606612  1
  Al  Al101  1  0.900851  0.307217  0.532843  1
  Al  Al102  1  0.904939  0.930225  0.569955  1
  Al  Al103  1  0.401556  0.488423  0.519925  1
  Al  Al104  1  0.399729  0.112439  0.556474  1
  Al  Al105  1  0.401119  0.735452  0.593911  1
  Al  Al106  1  0.108087  0.424092  0.575573  1
  Al  Al107  1  0.107515  0.176814  0.501500  1
  Al  Al108  1  0.109348  0.800611  0.538869  1
  Al  Al109  1  0.609014  0.491548  0.663676  1
  Al  Al110  1  0.657381  0.104945  0.696139  1
  Al  Al111  1  0.610720  0.867849  0.626855  1
  Al  Al112  1  0.132019  0.461500  0.631540  1
  Al  Al113  1  0.140663  0.085496  0.664304  1
  Al  Al114  1  0.111804  0.705065  0.706767  1
  Al  Al115  1  0.125305  0.558518  0.659375  1
  Al  Al116  1  0.131349  0.178741  0.697729  1
  Al  Al117  1  0.133554  0.934013  0.623782  1
  Al  Al118  1  0.637020  0.323573  0.718263  1
  Al  Al119  1  0.645333  0.077905  0.641750  1
  Al  Al120  1  0.615005  0.699721  0.680783  1
  Al  Al121  1  0.373999  0.396524  0.686350  1
  Al  Al122  1  0.372719  0.149786  0.613474  1
  Al  Al123  1  0.376780  0.774079  0.648291  1
  Al  Al124  1  0.879068  0.292178  0.634033  1
  Al  Al125  1  0.879480  0.915861  0.671588  1
  Al  Al126  1  0.886309  0.539564  0.708439  1
  Al  Al127  1  0.385961  0.488737  0.716645  1
  Al  Al128  1  0.380887  0.245213  0.642433  1
  Al  Al129  1  0.380822  0.870217  0.680622  1
  Al  Al130  1  0.873240  0.388900  0.662039  1
  Al  Al131  1  0.959339  0.006297  0.700916  1
  Al  Al132  1  0.876150  0.764664  0.625613  1
  Al  Al133  1  0.632913  0.226897  0.690579  1
  Al  Al134  1  0.636997  0.980217  0.614292  1
  Al  Al135  1  0.629768  0.604211  0.651598  1
  Al  Al136  1  0.880728  0.425699  0.714588  1
  Al  Al137  1  0.901757  0.180355  0.645167  1
  Al  Al138  1  0.882412  0.800183  0.680463  1
  Al  Al139  1  0.399037  0.358485  0.631719  1
  Al  Al140  1  0.412754  0.988511  0.665086  1
  Al  Al141  1  0.402456  0.603971  0.702673  1
  Al  Al142  1  0.106965  0.295675  0.686064  1
  Al  Al143  1  0.112522  0.045263  0.611910  1
  Al  Al144  1  0.104250  0.672553  0.650662  1
  Ni  Ni145  1  0.090691  0.858413  0.343999  1
  Ni  Ni146  1  0.081153  0.482157  0.381900  1
  Ni  Ni147  1  0.095529  0.235670  0.307442  1
  Ni  Ni148  1  0.457279  0.912205  0.292451  1
  Ni  Ni149  1  0.422635  0.547040  0.325462  1
  Ni  Ni150  1  0.429545  0.169841  0.363275  1
  Ni  Ni151  1  0.833235  0.770796  0.286676  1
  Ni  Ni152  1  0.916497  0.387248  0.318164  1
  Ni  Ni153  1  0.923718  0.012158  0.353733  1
  Ni  Ni154  1  0.571434  0.701359  0.335248  1
  Ni  Ni155  1  0.581339  0.325069  0.373587  1
  Ni  Ni156  1  0.629393  0.079595  0.302354  1
  Ni  Ni157  1  0.087350  0.729499  0.455863  1
  Ni  Ni158  1  0.083307  0.353051  0.493284  1
  Ni  Ni159  1  0.082653  0.105865  0.418704  1
  Ni  Ni160  1  0.432044  0.793966  0.401524  1
  Ni  Ni161  1  0.423924  0.417712  0.437273  1
  Ni  Ni162  1  0.423548  0.041233  0.474159  1
  Ni  Ni163  1  0.926930  0.636245  0.391783  1
  Ni  Ni164  1  0.925346  0.260305  0.429479  1
  Ni  Ni165  1  0.925578  0.884185  0.466811  1
  Ni  Ni166  1  0.584798  0.572213  0.447794  1
  Ni  Ni167  1  0.582772  0.195659  0.485110  1
  Ni  Ni168  1  0.582744  0.948557  0.410436  1
  Ni  Ni169  1  0.083972  0.600103  0.567382  1
  Ni  Ni170  1  0.082387  0.224162  0.605078  1
  Ni  Ni171  1  0.083739  0.976223  0.530050  1
  Ni  Ni172  1  0.426545  0.664749  0.511751  1
  Ni  Ni173  1  0.424519  0.288195  0.549067  1
  Ni  Ni174  1  0.426574  0.911851  0.586425  1
  Ni  Ni175  1  0.926010  0.507357  0.503577  1
  Ni  Ni176  1  0.921967  0.130909  0.540998  1
  Ni  Ni177  1  0.926665  0.754542  0.578157  1
  Ni  Ni178  1  0.585393  0.442696  0.559588  1
  Ni  Ni179  1  0.577273  0.066442  0.595337  1
  Ni  Ni180  1  0.585770  0.819175  0.522702  1
  Ni  Ni181  1  0.092821  0.473160  0.678697  1
  Ni  Ni182  1  0.176082  0.089612  0.710185  1
  Ni  Ni183  1  0.085599  0.848250  0.643128  1
  Ni  Ni184  1  0.427978  0.535339  0.623274  1
  Ni  Ni185  1  0.437883  0.159049  0.661613  1
  Ni  Ni186  1  0.379925  0.780813  0.694507  1
  Ni  Ni187  1  0.928164  0.378251  0.614961  1
  Ni  Ni188  1  0.918627  1.001995  0.652862  1
  Ni  Ni189  1  0.913788  0.624738  0.689419  1
  Ni  Ni190  1  0.586682  0.313367  0.671399  1
  Ni  Ni191  1  0.552038  0.948203  0.704410  1
  Ni  Ni192  1  0.579772  0.690567  0.633586  1
