# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29853792
_cell_length_b   22.17320548
_cell_length_c   48.53275597
_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   5701.89849826
_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  0.136986  0.069091  0.291955  1
  Al  Al2  1  0.129702  0.499299  0.334586  1
  Al  Al3  1  0.641181  0.165363  0.286597  1
  Al  Al4  1  0.201874  0.768139  0.261494  1
  Al  Al5  1  0.643209  0.902012  0.319736  1
  Al  Al6  1  0.637420  0.469249  0.280126  1
  Al  Al7  1  0.135802  0.194617  0.298043  1
  Al  Al8  1  0.131846  0.625444  0.335222  1
  Al  Al9  1  0.319983  0.268139  0.261494  1
  Al  Al10  1  0.880676  0.665363  0.286597  1
  Al  Al11  1  0.384267  0.402597  0.320659  1
  Al  Al12  1  0.391932  0.967962  0.274988  1
  Al  Al13  1  0.884437  0.969249  0.280126  1
  Al  Al14  1  0.878649  0.402012  0.319736  1
  Al  Al15  1  0.390011  0.125444  0.335222  1
  Al  Al16  1  0.386055  0.694617  0.298043  1
  Al  Al17  1  0.129925  0.467962  0.274988  1
  Al  Al18  1  0.137590  0.902597  0.320659  1
  Al  Al19  1  0.392155  0.999299  0.334586  1
  Al  Al20  1  0.384871  0.569091  0.291955  1
  Al  Al21  1  0.904037  0.351275  0.265074  1
  Al  Al22  1  0.895050  0.792461  0.303226  1
  Al  Al23  1  0.626807  0.292461  0.303226  1
  Al  Al24  1  0.617821  0.851275  0.265074  1
  Al  Al25  1  0.120815  0.932061  0.372932  1
  Al  Al26  1  0.119698  0.361637  0.410593  1
  Al  Al27  1  0.648260  0.043301  0.376048  1
  Al  Al28  1  0.633734  0.612561  0.336938  1
  Al  Al29  1  0.644291  0.762299  0.397754  1
  Al  Al30  1  0.637110  0.331970  0.359054  1
  Al  Al31  1  0.147757  0.055104  0.375597  1
  Al  Al32  1  0.143394  0.483803  0.414121  1
  Al  Al33  1  0.888123  0.112561  0.336938  1
  Al  Al34  1  0.873597  0.543301  0.376048  1
  Al  Al35  1  0.379303  0.262784  0.393544  1
  Al  Al36  1  0.390025  0.833021  0.356989  1
  Al  Al37  1  0.884747  0.831970  0.359054  1
  Al  Al38  1  0.877566  0.262299  0.397754  1
  Al  Al39  1  0.378463  0.983803  0.414121  1
  Al  Al40  1  0.374100  0.555104  0.375597  1
  Al  Al41  1  0.131833  0.333021  0.356989  1
  Al  Al42  1  0.142554  0.762784  0.393544  1
  Al  Al43  1  0.402159  0.861637  0.410593  1
  Al  Al44  1  0.401042  0.432061  0.372932  1
  Al  Al45  1  0.884576  0.232519  0.341113  1
  Al  Al46  1  0.899936  0.664086  0.379840  1
  Al  Al47  1  0.621922  0.164086  0.379840  1
  Al  Al48  1  0.637281  0.732519  0.341113  1
  Al  Al49  1  0.122963  0.790938  0.448512  1
  Al  Al50  1  0.121005  0.220666  0.486636  1
  Al  Al51  1  0.645493  0.902444  0.453571  1
  Al  Al52  1  0.645910  0.472952  0.415234  1
  Al  Al53  1  0.644917  0.621893  0.474687  1
  Al  Al54  1  0.644029  0.192210  0.436155  1
  Al  Al55  1  0.144821  0.912881  0.452606  1
  Al  Al56  1  0.142915  0.342299  0.490895  1
  Al  Al57  1  0.875948  0.972952  0.415234  1
  Al  Al58  1  0.876365  0.402444  0.453571  1
  Al  Al59  1  0.376937  0.122813  0.469412  1
  Al  Al60  1  0.378644  0.692628  0.430826  1
  Al  Al61  1  0.877829  0.692210  0.436155  1
  Al  Al62  1  0.876941  0.121893  0.474687  1
  Al  Al63  1  0.378943  0.842299  0.490895  1
  Al  Al64  1  0.377036  0.412881  0.452606  1
  Al  Al65  1  0.143214  0.192628  0.430826  1
  Al  Al66  1  0.144920  0.622813  0.469412  1
  Al  Al67  1  0.400852  0.720666  0.486636  1
  Al  Al68  1  0.398894  0.290938  0.448512  1
  Al  Al69  1  0.899579  0.094226  0.418863  1
  Al  Al70  1  0.900281  0.523999  0.457612  1
  Al  Al71  1  0.621576  0.023999  0.457612  1
  Al  Al72  1  0.622278  0.594226  0.418863  1
  Al  Al73  1  0.121576  0.650288  0.525045  1
  Al  Al74  1  0.122278  0.080061  0.563795  1
  Al  Al75  1  0.644821  0.761406  0.530051  1
  Al  Al76  1  0.642915  0.331988  0.491763  1
  Al  Al77  1  0.643214  0.481658  0.551832  1
  Al  Al78  1  0.644920  0.051474  0.513245  1
  Al  Al79  1  0.145493  0.771843  0.529086  1
  Al  Al80  1  0.145910  0.201335  0.567424  1
  Al  Al81  1  0.878943  0.831988  0.491763  1
  Al  Al82  1  0.877036  0.261406  0.530051  1
  Al  Al83  1  0.377829  0.982077  0.546503  1
  Al  Al84  1  0.376941  0.552393  0.507970  1
  Al  Al85  1  0.876937  0.551474  0.513245  1
  Al  Al86  1  0.878644  0.981658  0.551832  1
  Al  Al87  1  0.375948  0.701335  0.567424  1
  Al  Al88  1  0.376365  0.271843  0.529086  1
  Al  Al89  1  0.144917  0.052393  0.507970  1
  Al  Al90  1  0.144029  0.482077  0.546503  1
  Al  Al91  1  0.399579  0.580061  0.563795  1
  Al  Al92  1  0.400281  0.150288  0.525045  1
  Al  Al93  1  0.900852  0.953621  0.496022  1
  Al  Al94  1  0.898894  0.383349  0.534145  1
  Al  Al95  1  0.622963  0.883349  0.534145  1
  Al  Al96  1  0.621005  0.453621  0.496022  1
  Al  Al97  1  0.121922  0.510201  0.602817  1
  Al  Al98  1  0.137281  0.941768  0.641545  1
  Al  Al99  1  0.647757  0.619183  0.607060  1
  Al  Al100  1  0.643394  0.190484  0.568536  1
  Al  Al101  1  0.631833  0.341266  0.625669  1
  Al  Al102  1  0.642554  0.911503  0.589114  1
  Al  Al103  1  0.148260  0.630985  0.606610  1
  Al  Al104  1  0.133734  0.061726  0.645720  1
  Al  Al105  1  0.878463  0.690484  0.568536  1
  Al  Al106  1  0.874100  0.119183  0.607060  1
  Al  Al107  1  0.384747  0.842317  0.623604  1
  Al  Al108  1  0.377566  0.411988  0.584904  1
  Al  Al109  1  0.879303  0.411503  0.589114  1
  Al  Al110  1  0.890025  0.841266  0.625669  1
  Al  Al111  1  0.388123  0.561726  0.645720  1
  Al  Al112  1  0.373597  0.130985  0.606610  1
  Al  Al113  1  0.144291  0.911988  0.584904  1
  Al  Al114  1  0.137110  0.342317  0.623604  1
  Al  Al115  1  0.384576  0.441768  0.641545  1
  Al  Al116  1  0.399936  0.010201  0.602817  1
  Al  Al117  1  0.902159  0.812650  0.572065  1
  Al  Al118  1  0.901042  0.242226  0.609725  1
  Al  Al119  1  0.620815  0.742226  0.609725  1
  Al  Al120  1  0.619698  0.312650  0.572065  1
  Al  Al121  1  0.126807  0.381826  0.679432  1
  Al  Al122  1  0.117821  0.823012  0.717583  1
  Al  Al123  1  0.635802  0.479670  0.684614  1
  Al  Al124  1  0.631846  0.048843  0.647436  1
  Al  Al125  1  0.629925  0.206325  0.707669  1
  Al  Al126  1  0.637590  0.771690  0.661999  1
  Al  Al127  1  0.141181  0.508924  0.696061  1
  Al  Al128  1  0.701874  0.906148  0.721163  1
  Al  Al129  1  0.890011  0.548843  0.647436  1
  Al  Al130  1  0.886055  0.979670  0.684614  1
  Al  Al131  1  0.384437  0.705037  0.702532  1
  Al  Al132  1  0.378649  0.272274  0.662921  1
  Al  Al133  1  0.884267  0.271690  0.661999  1
  Al  Al134  1  0.891932  0.706325  0.707669  1
  Al  Al135  1  0.819983  0.406148  0.721163  1
  Al  Al136  1  0.380676  0.008924  0.696061  1
  Al  Al137  1  0.143209  0.772274  0.662921  1
  Al  Al138  1  0.137420  0.205037  0.702532  1
  Al  Al139  1  0.404037  0.323012  0.717583  1
  Al  Al140  1  0.395050  0.881826  0.679432  1
  Al  Al141  1  0.892155  0.674988  0.648071  1
  Al  Al142  1  0.884871  0.105196  0.690703  1
  Al  Al143  1  0.636986  0.605196  0.690703  1
  Al  Al144  1  0.629702  0.174988  0.648071  1
  Ni  Ni145  1  0.638869  0.056327  0.300702  1
  Ni  Ni146  1  0.631149  0.497183  0.334661  1
  Ni  Ni147  1  0.890708  0.997183  0.334661  1
  Ni  Ni148  1  0.882988  0.556327  0.300702  1
  Ni  Ni149  1  0.395808  0.370836  0.273691  1
  Ni  Ni150  1  0.387397  0.806862  0.306463  1
  Ni  Ni151  1  0.134460  0.306862  0.306463  1
  Ni  Ni152  1  0.126049  0.870836  0.273691  1
  Ni  Ni153  1  0.636331  0.928937  0.372596  1
  Ni  Ni154  1  0.633167  0.358456  0.411491  1
  Ni  Ni155  1  0.888690  0.858456  0.411491  1
  Ni  Ni156  1  0.885526  0.428937  0.372596  1
  Ni  Ni157  1  0.374149  0.238427  0.341156  1
  Ni  Ni158  1  0.385968  0.668616  0.377897  1
  Ni  Ni159  1  0.135889  0.168616  0.377897  1
  Ni  Ni160  1  0.147708  0.738427  0.341156  1
  Ni  Ni161  1  0.634868  0.788148  0.449868  1
  Ni  Ni162  1  0.633061  0.217778  0.488167  1
  Ni  Ni163  1  0.888797  0.717778  0.488167  1
  Ni  Ni164  1  0.886989  0.288148  0.449868  1
  Ni  Ni165  1  0.389371  0.097642  0.417372  1
  Ni  Ni166  1  0.388484  0.527048  0.455975  1
  Ni  Ni167  1  0.133373  0.027048  0.455975  1
  Ni  Ni168  1  0.132486  0.597642  0.417372  1
  Ni  Ni169  1  0.633373  0.647239  0.526683  1
  Ni  Ni170  1  0.632486  0.076645  0.565286  1
  Ni  Ni171  1  0.889371  0.576645  0.565286  1
  Ni  Ni172  1  0.888484  0.147239  0.526683  1
  Ni  Ni173  1  0.388797  0.956509  0.494490  1
  Ni  Ni174  1  0.386989  0.386139  0.532790  1
  Ni  Ni175  1  0.134868  0.886139  0.532790  1
  Ni  Ni176  1  0.133061  0.456509  0.494490  1
  Ni  Ni177  1  0.635889  0.505671  0.604761  1
  Ni  Ni178  1  0.647708  0.935860  0.641502  1
  Ni  Ni179  1  0.874149  0.435860  0.641502  1
  Ni  Ni180  1  0.885968  0.005671  0.604761  1
  Ni  Ni181  1  0.388690  0.815831  0.571167  1
  Ni  Ni182  1  0.385526  0.245350  0.610061  1
  Ni  Ni183  1  0.136331  0.745350  0.610061  1
  Ni  Ni184  1  0.133167  0.315831  0.571167  1
  Ni  Ni185  1  0.634460  0.367425  0.676195  1
  Ni  Ni186  1  0.626049  0.803451  0.708967  1
  Ni  Ni187  1  0.895808  0.303451  0.708967  1
  Ni  Ni188  1  0.887397  0.867425  0.676195  1
  Ni  Ni189  1  0.390708  0.677104  0.647997  1
  Ni  Ni190  1  0.382988  0.117960  0.681956  1
  Ni  Ni191  1  0.138869  0.617960  0.681956  1
  Ni  Ni192  1  0.131149  0.177104  0.647997  1
