# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76100137
_cell_length_b   25.98819985
_cell_length_c   51.35228436
_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   6353.81069936
_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  0.619472  0.940025  0.315965  1
  Al  Al2  1  0.612231  0.574716  0.348966  1
  Al  Al3  1  0.620582  0.331740  0.278020  1
  Al  Al4  1  0.137619  0.927631  0.279443  1
  Al  Al5  1  0.135561  0.544816  0.317923  1
  Al  Al6  1  0.135378  0.167882  0.353073  1
  Al  Al7  1  0.117014  0.015783  0.305687  1
  Al  Al8  1  0.119467  0.641439  0.346934  1
  Al  Al9  1  0.130555  0.394621  0.271310  1
  Al  Al10  1  0.637586  0.783901  0.368338  1
  Al  Al11  1  0.638768  0.537700  0.293457  1
  Al  Al12  1  0.636381  0.159789  0.329421  1
  Al  Al13  1  0.387816  0.852940  0.338555  1
  Al  Al14  1  0.379799  0.610510  0.262923  1
  Al  Al15  1  0.400289  0.232931  0.299343  1
  Al  Al16  1  0.897809  0.756418  0.281124  1
  Al  Al17  1  0.908324  0.374914  0.321066  1
  Al  Al18  1  0.901907  0.998838  0.356052  1
  Al  Al19  1  0.399952  0.953034  0.366037  1
  Al  Al20  1  0.395910  0.707470  0.289430  1
  Al  Al21  1  0.403198  0.329299  0.328578  1
  Al  Al22  1  0.896355  0.847164  0.314375  1
  Al  Al23  1  0.896794  0.472914  0.348970  1
  Al  Al24  1  0.901704  0.227592  0.273847  1
  Al  Al25  1  0.617778  0.687121  0.339765  1
  Al  Al26  1  0.629707  0.444754  0.262505  1
  Al  Al27  1  0.610128  0.065161  0.301061  1
  Al  Al28  1  0.915317  0.887053  0.368076  1
  Al  Al29  1  0.905289  0.642056  0.294999  1
  Al  Al30  1  0.916021  0.261754  0.329521  1
  Al  Al31  1  0.385879  0.826098  0.284752  1
  Al  Al32  1  0.412838  0.441196  0.315567  1
  Al  Al33  1  0.413324  0.064659  0.352618  1
  Al  Al34  1  0.110180  0.751263  0.334068  1
  Al  Al35  1  0.140493  0.507437  0.265395  1
  Al  Al36  1  0.115440  0.130827  0.298046  1
  Al  Al37  1  0.614121  0.823307  0.425387  1
  Al  Al38  1  0.615212  0.447535  0.460657  1
  Al  Al39  1  0.616734  0.196784  0.385658  1
  Al  Al40  1  0.134976  0.793385  0.392530  1
  Al  Al41  1  0.131589  0.418248  0.428823  1
  Al  Al42  1  0.129812  0.043251  0.465774  1
  Al  Al43  1  0.127931  0.891123  0.421276  1
  Al  Al44  1  0.131657  0.516075  0.457984  1
  Al  Al45  1  0.131298  0.266410  0.382816  1
  Al  Al46  1  0.631840  0.659257  0.479319  1
  Al  Al47  1  0.631264  0.409756  0.404423  1
  Al  Al48  1  0.630237  0.033850  0.441240  1
  Al  Al49  1  0.397332  0.730672  0.448233  1
  Al  Al50  1  0.398856  0.482113  0.373202  1
  Al  Al51  1  0.400448  0.105287  0.409346  1
  Al  Al52  1  0.897789  0.624109  0.394742  1
  Al  Al53  1  0.898929  0.248202  0.430346  1
  Al  Al54  1  0.900144  0.873946  0.469350  1
  Al  Al55  1  0.398869  0.828696  0.477501  1
  Al  Al56  1  0.398589  0.579119  0.402404  1
  Al  Al57  1  0.398841  0.203369  0.438272  1
  Al  Al58  1  0.897391  0.722221  0.423601  1
  Al  Al59  1  0.899754  0.346270  0.459890  1
  Al  Al60  1  0.900842  0.096393  0.384565  1
  Al  Al61  1  0.631246  0.561193  0.450163  1
  Al  Al62  1  0.633163  0.311799  0.375454  1
  Al  Al63  1  0.628913  0.936627  0.413592  1
  Al  Al64  1  0.915185  0.760691  0.480300  1
  Al  Al65  1  0.915868  0.510726  0.405445  1
  Al  Al66  1  0.916220  0.134978  0.441052  1
  Al  Al67  1  0.415972  0.691930  0.391961  1
  Al  Al68  1  0.415660  0.317021  0.427833  1
  Al  Al69  1  0.417195  0.942089  0.466265  1
  Al  Al70  1  0.114803  0.629678  0.447214  1
  Al  Al71  1  0.114056  0.380911  0.372942  1
  Al  Al72  1  0.114506  1.004493  0.409622  1
  Al  Al73  1  0.615580  0.697324  0.535619  1
  Al  Al74  1  0.615268  0.322414  0.571491  1
  Al  Al75  1  0.614045  0.072255  0.497187  1
  Al  Al76  1  0.131485  0.668074  0.503562  1
  Al  Al77  1  0.133849  0.292124  0.539851  1
  Al  Al78  1  0.130397  0.917951  0.578887  1
  Al  Al79  1  0.132310  0.766142  0.533106  1
  Al  Al80  1  0.133450  0.390235  0.568710  1
  Al  Al81  1  0.131096  0.140399  0.494103  1
  Al  Al82  1  0.632384  0.532231  0.590250  1
  Al  Al83  1  0.633907  0.283672  0.515219  1
  Al  Al84  1  0.630792  0.909057  0.554106  1
  Al  Al85  1  0.399975  0.604589  0.559029  1
  Al  Al86  1  0.399399  0.355087  0.484133  1
  Al  Al87  1  0.401003  0.980495  0.522212  1
  Al  Al88  1  0.899582  0.498269  0.505468  1
  Al  Al89  1  0.903309  0.123221  0.542176  1
  Al  Al90  1  0.899942  0.747934  0.580637  1
  Al  Al91  1  0.398077  0.702545  0.587998  1
  Al  Al92  1  0.399993  0.453151  0.513289  1
  Al  Al93  1  0.402327  0.077717  0.549861  1
  Al  Al94  1  0.899651  0.596096  0.534629  1
  Al  Al95  1  0.896264  0.220960  0.570922  1
  Al  Al96  1  0.901428  0.971093  0.497679  1
  Al  Al97  1  0.632651  0.435226  0.561048  1
  Al  Al98  1  0.632371  0.185649  0.485951  1
  Al  Al99  1  0.632398  0.810976  0.525180  1
  Al  Al100  1  0.917184  0.633433  0.590510  1
  Al  Al101  1  0.916436  0.384667  0.516239  1
  Al  Al102  1  0.916734  0.009851  0.553830  1
  Al  Al103  1  0.416028  0.566810  0.502795  1
  Al  Al104  1  0.417119  0.191037  0.538065  1
  Al  Al105  1  0.414506  0.817561  0.577795  1
  Al  Al106  1  0.115372  0.503619  0.558008  1
  Al  Al107  1  0.116055  0.253654  0.483153  1
  Al  Al108  1  0.115020  0.879366  0.522400  1
  Al  Al109  1  0.618402  0.573149  0.647885  1
  Al  Al110  1  0.645361  0.188246  0.678700  1
  Al  Al111  1  0.617916  0.949686  0.610834  1
  Al  Al112  1  0.134446  0.541430  0.614482  1
  Al  Al113  1  0.134885  0.167180  0.649077  1
  Al  Al114  1  0.129535  0.786752  0.689605  1
  Al  Al115  1  0.122916  0.639431  0.642386  1
  Al  Al116  1  0.133430  0.257926  0.682328  1
  Al  Al117  1  0.129333  0.015507  0.607400  1
  Al  Al118  1  0.651440  0.403835  0.700529  1
  Al  Al119  1  0.643424  0.161404  0.624897  1
  Al  Al120  1  0.630951  0.781413  0.664109  1
  Al  Al121  1  0.392472  0.476644  0.669995  1
  Al  Al122  1  0.393654  0.230444  0.595114  1
  Al  Al123  1  0.394859  0.854556  0.634031  1
  Al  Al124  1  0.911773  0.372905  0.616518  1
  Al  Al125  1  0.914225  0.998561  0.657766  1
  Al  Al126  1  0.900685  0.619724  0.692143  1
  Al  Al127  1  0.401533  0.569590  0.700947  1
  Al  Al128  1  0.413462  0.327224  0.623688  1
  Al  Al129  1  0.421112  0.949184  0.662391  1
  Al  Al130  1  0.895678  0.469529  0.645529  1
  Al  Al131  1  0.893621  0.086714  0.684009  1
  Al  Al132  1  0.895862  0.846462  0.610379  1
  Al  Al133  1  0.635329  0.306874  0.674023  1
  Al  Al134  1  0.631288  0.061311  0.597415  1
  Al  Al135  1  0.628041  0.685045  0.634874  1
  Al  Al136  1  0.890747  0.506907  0.698057  1
  Al  Al137  1  0.921059  0.263081  0.629384  1
  Al  Al138  1  0.915800  0.883517  0.665406  1
  Al  Al139  1  0.419009  0.439628  0.614487  1
  Al  Al140  1  0.411768  0.074319  0.647487  1
  Al  Al141  1  0.410658  0.682605  0.685432  1
  Al  Al142  1  0.125950  0.372289  0.668453  1
  Al  Al143  1  0.115922  0.127291  0.595376  1
  Al  Al144  1  0.115219  0.752590  0.633931  1
  Ni  Ni145  1  0.114034  0.930806  0.328024  1
  Ni  Ni146  1  0.094269  0.555467  0.365621  1
  Ni  Ni147  1  0.112571  0.308999  0.290388  1
  Ni  Ni148  1  0.632961  0.984763  0.276379  1
  Ni  Ni149  1  0.421305  0.621185  0.310069  1
  Ni  Ni150  1  0.436616  0.242539  0.346629  1
  Ni  Ni151  1  0.876526  0.848326  0.266903  1
  Ni  Ni152  1  0.920587  0.460638  0.301984  1
  Ni  Ni153  1  0.930855  0.084174  0.336995  1
  Ni  Ni154  1  0.599507  0.772137  0.320372  1
  Ni  Ni155  1  0.593951  0.399225  0.356724  1
  Ni  Ni156  1  0.605575  0.150818  0.281097  1
  Ni  Ni157  1  0.098154  0.804910  0.440442  1
  Ni  Ni158  1  0.097914  0.429287  0.476541  1
  Ni  Ni159  1  0.100594  0.179419  0.401069  1
  Ni  Ni160  1  0.438148  0.866829  0.385401  1
  Ni  Ni161  1  0.432445  0.492574  0.421090  1
  Ni  Ni162  1  0.432670  0.116967  0.457190  1
  Ni  Ni163  1  0.936802  0.710667  0.375731  1
  Ni  Ni164  1  0.932753  0.335227  0.412184  1
  Ni  Ni165  1  0.934593  0.960156  0.449938  1
  Ni  Ni166  1  0.598235  0.647841  0.431634  1
  Ni  Ni167  1  0.598792  0.272171  0.467369  1
  Ni  Ni168  1  0.600930  0.022528  0.393448  1
  Ni  Ni169  1  0.098487  0.679118  0.551268  1
  Ni  Ni170  1  0.094438  0.303677  0.587721  1
  Ni  Ni171  1  0.096646  0.054189  0.513514  1
  Ni  Ni172  1  0.432447  0.742174  0.496084  1
  Ni  Ni173  1  0.433004  0.366504  0.531818  1
  Ni  Ni174  1  0.430310  0.991816  0.570004  1
  Ni  Ni175  1  0.933326  0.585058  0.486912  1
  Ni  Ni176  1  0.933086  0.209434  0.523010  1
  Ni  Ni177  1  0.930645  0.834926  0.562383  1
  Ni  Ni178  1  0.598795  0.521770  0.542362  1
  Ni  Ni179  1  0.593092  0.147516  0.578051  1
  Ni  Ni180  1  0.598570  0.897377  0.506262  1
  Ni  Ni181  1  0.110653  0.553707  0.661468  1
  Ni  Ni182  1  0.154714  0.166019  0.696550  1
  Ni  Ni183  1  0.100385  0.930170  0.626457  1
  Ni  Ni184  1  0.437289  0.615120  0.606728  1
  Ni  Ni185  1  0.431733  0.242207  0.643081  1
  Ni  Ni186  1  0.425664  0.863527  0.682355  1
  Ni  Ni187  1  0.936971  0.458877  0.597831  1
  Ni  Ni188  1  0.917206  0.083538  0.635428  1
  Ni  Ni189  1  0.918669  0.705346  0.673064  1
  Ni  Ni190  1  0.609934  0.393159  0.653383  1
  Ni  Ni191  1  0.398279  0.029582  0.687074  1
  Ni  Ni192  1  0.594624  0.771805  0.616824  1
