# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41513456
_cell_length_b   20.79771292
_cell_length_c   48.83713730
_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   6515.85705645
_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  0.033355  0.918613  0.306254  1
  Al  Al2  1  0.018137  0.334638  0.341538  1
  Al  Al3  1  0.203365  0.070231  0.287577  1
  Al  Al4  1  0.189596  0.469060  0.321453  1
  Al  Al5  1  0.187162  0.790436  0.313669  1
  Al  Al6  1  0.187835  0.207932  0.352149  1
  Al  Al7  1  0.328452  0.999473  0.333182  1
  Al  Al8  1  0.327497  0.581417  0.299109  1
  Al  Al9  1  0.687555  0.930760  0.341176  1
  Al  Al10  1  0.707741  0.514608  0.304311  1
  Al  Al11  1  0.843903  0.303085  0.289272  1
  Al  Al12  1  0.824773  0.722644  0.323965  1
  Al  Al13  1  0.677439  0.832911  0.297991  1
  Al  Al14  1  0.669526  0.250221  0.336416  1
  Al  Al15  1  0.819173  0.042924  0.314813  1
  Al  Al16  1  0.829545  0.457100  0.353019  1
  Al  Al17  1  0.299651  0.271592  0.303933  1
  Al  Al18  1  0.330081  0.680905  0.341223  1
  Al  Al19  1  0.531445  0.801350  0.353295  1
  Al  Al20  1  0.540526  0.382119  0.320692  1
  Al  Al21  1  0.955181  0.175416  0.304927  1
  Al  Al22  1  0.981648  0.593426  0.336510  1
  Al  Al23  1  0.482239  0.129364  0.324133  1
  Al  Al24  1  0.482089  0.705390  0.289479  1
  Al  Al25  1  0.033599  0.754069  0.373794  1
  Al  Al26  1  0.031267  0.170417  0.410802  1
  Al  Al27  1  0.184597  0.888150  0.358842  1
  Al  Al28  1  0.186937  0.305448  0.394707  1
  Al  Al29  1  0.186357  0.625324  0.387596  1
  Al  Al30  1  0.181757  0.041694  0.423629  1
  Al  Al31  1  0.329686  0.833593  0.405692  1
  Al  Al32  1  0.320558  0.417053  0.370055  1
  Al  Al33  1  0.688598  0.762970  0.412268  1
  Al  Al34  1  0.675423  0.346272  0.377313  1
  Al  Al35  1  0.828307  0.138757  0.359542  1
  Al  Al36  1  0.830158  0.553972  0.394152  1
  Al  Al37  1  0.686879  0.664537  0.370455  1
  Al  Al38  1  0.685709  0.081782  0.406262  1
  Al  Al39  1  0.824207  0.873479  0.387984  1
  Al  Al40  1  0.825022  0.290812  0.424422  1
  Al  Al41  1  0.325372  0.096484  0.376483  1
  Al  Al42  1  0.323312  0.514573  0.411526  1
  Al  Al43  1  0.531232  0.634854  0.425309  1
  Al  Al44  1  0.530726  0.217077  0.390353  1
  Al  Al45  1  0.981819  0.009302  0.370796  1
  Al  Al46  1  0.977394  0.425448  0.407725  1
  Al  Al47  1  0.479210  0.962208  0.392016  1
  Al  Al48  1  0.485169  0.544259  0.355555  1
  Al  Al49  1  0.029193  0.587092  0.446325  1
  Al  Al50  1  0.030181  0.004214  0.482432  1
  Al  Al51  1  0.184465  0.723237  0.429579  1
  Al  Al52  1  0.183514  0.139714  0.465981  1
  Al  Al53  1  0.184049  0.459160  0.459262  1
  Al  Al54  1  0.183971  0.876339  0.495205  1
  Al  Al55  1  0.326107  0.667859  0.477123  1
  Al  Al56  1  0.326815  0.250165  0.442054  1
  Al  Al57  1  0.683119  0.597278  0.484197  1
  Al  Al58  1  0.685182  0.180062  0.448628  1
  Al  Al59  1  0.824523  0.971419  0.430410  1
  Al  Al60  1  0.825530  0.388993  0.466370  1
  Al  Al61  1  0.684113  0.499524  0.441872  1
  Al  Al62  1  0.685858  0.916062  0.478133  1
  Al  Al63  1  0.826202  0.707648  0.460024  1
  Al  Al64  1  0.824916  0.124592  0.496219  1
  Al  Al65  1  0.327974  0.931630  0.447662  1
  Al  Al66  1  0.325853  0.348711  0.483736  1
  Al  Al67  1  0.530140  0.469192  0.497138  1
  Al  Al68  1  0.528860  0.052066  0.461464  1
  Al  Al69  1  0.982529  0.843787  0.443264  1
  Al  Al70  1  0.980648  0.260555  0.479621  1
  Al  Al71  1  0.481633  0.795632  0.464289  1
  Al  Al72  1  0.479412  0.379024  0.428719  1
  Al  Al73  1  0.030179  0.421351  0.517992  1
  Al  Al74  1  0.028298  0.838119  0.554350  1
  Al  Al75  1  0.185911  0.557314  0.501395  1
  Al  Al76  1  0.184625  0.974258  0.537590  1
  Al  Al77  1  0.185297  0.292913  0.531243  1
  Al  Al78  1  0.186304  0.710487  0.567203  1
  Al  Al79  1  0.325645  0.501844  0.548986  1
  Al  Al80  1  0.327708  0.084628  0.513416  1
  Al  Al81  1  0.684012  0.431741  0.555559  1
  Al  Al82  1  0.684720  0.014047  0.520491  1
  Al  Al83  1  0.826856  0.805567  0.502409  1
  Al  Al84  1  0.826778  0.222746  0.538351  1
  Al  Al85  1  0.684975  0.333195  0.513877  1
  Al  Al86  1  0.682853  0.750276  0.549951  1
  Al  Al87  1  0.827313  0.542192  0.531632  1
  Al  Al88  1  0.826363  0.958669  0.568034  1
  Al  Al89  1  0.324969  0.765844  0.519481  1
  Al  Al90  1  0.326714  0.182382  0.555741  1
  Al  Al91  1  0.531415  0.302882  0.568895  1
  Al  Al92  1  0.529195  0.886274  0.533325  1
  Al  Al93  1  0.980646  0.677693  0.515181  1
  Al  Al94  1  0.981634  0.094814  0.551288  1
  Al  Al95  1  0.481967  0.629840  0.536150  1
  Al  Al96  1  0.480687  0.212714  0.500476  1
  Al  Al97  1  0.033434  0.256458  0.589888  1
  Al  Al98  1  0.029008  0.672604  0.626817  1
  Al  Al99  1  0.185805  0.391094  0.573192  1
  Al  Al100  1  0.186621  0.808427  0.609629  1
  Al  Al101  1  0.180669  0.127934  0.603462  1
  Al  Al102  1  0.182520  0.543149  0.638071  1
  Al  Al103  1  0.335404  0.335634  0.620301  1
  Al  Al104  1  0.322229  0.918936  0.585346  1
  Al  Al105  1  0.690269  0.264853  0.627559  1
  Al  Al106  1  0.681141  0.848313  0.591921  1
  Al  Al107  1  0.829070  0.640212  0.573984  1
  Al  Al108  1  0.824470  0.056582  0.610017  1
  Al  Al109  1  0.687515  0.167333  0.586088  1
  Al  Al110  1  0.685455  0.585422  0.621131  1
  Al  Al111  1  0.823890  0.376458  0.602906  1
  Al  Al112  1  0.826230  0.793756  0.638771  1
  Al  Al113  1  0.325118  0.600124  0.591351  1
  Al  Al114  1  0.323948  0.017369  0.627159  1
  Al  Al115  1  0.525658  0.137647  0.642058  1
  Al  Al116  1  0.531617  0.719698  0.605597  1
  Al  Al117  1  0.979560  0.511489  0.586812  1
  Al  Al118  1  0.977228  0.927837  0.623819  1
  Al  Al119  1  0.480101  0.464829  0.607260  1
  Al  Al120  1  0.479595  0.047052  0.572304  1
  Al  Al121  1  0.029179  0.088480  0.661103  1
  Al  Al122  1  0.055646  0.506490  0.692686  1
  Al  Al123  1  0.181282  0.224806  0.644594  1
  Al  Al124  1  0.191654  0.638982  0.682800  1
  Al  Al125  1  0.186055  0.959262  0.673648  1
  Al  Al126  1  0.166924  0.378821  0.708341  1
  Al  Al127  1  0.303086  0.167298  0.693303  1
  Al  Al128  1  0.323272  0.751146  0.656438  1
  Al  Al129  1  0.683330  0.100489  0.698505  1
  Al  Al130  1  0.682375  0.682433  0.664431  1
  Al  Al131  1  0.822993  0.473974  0.645465  1
  Al  Al132  1  0.823665  0.891470  0.683945  1
  Al  Al133  1  0.680746  1.001001  0.656391  1
  Al  Al134  1  0.711176  0.410314  0.693680  1
  Al  Al135  1  0.821232  0.212846  0.676160  1
  Al  Al136  1  0.807462  0.611675  0.710036  1
  Al  Al137  1  0.341301  0.431685  0.661197  1
  Al  Al138  1  0.333388  0.848995  0.699623  1
  Al  Al139  1  0.528738  0.976516  0.708135  1
  Al  Al140  1  0.528588  0.552542  0.673480  1
  Al  Al141  1  0.992690  0.347268  0.656075  1
  Al  Al142  1  0.977472  0.763293  0.691359  1
  Al  Al143  1  0.470301  0.299787  0.676921  1
  Al  Al144  1  0.479382  0.880556  0.644318  1
  Ni  Ni145  1  0.889935  0.833116  0.339432  1
  Ni  Ni146  1  0.888407  0.410793  0.307363  1
  Ni  Ni147  1  0.390297  0.886850  0.318470  1
  Ni  Ni148  1  0.374883  0.307264  0.352171  1
  Ni  Ni149  1  0.120090  0.095464  0.335103  1
  Ni  Ni150  1  0.112445  0.674874  0.301680  1
  Ni  Ni151  1  0.605459  0.209189  0.291371  1
  Ni  Ni152  1  0.629786  0.623730  0.322275  1
  Ni  Ni153  1  0.887947  0.664869  0.412307  1
  Ni  Ni154  1  0.887497  0.249214  0.376963  1
  Ni  Ni155  1  0.389435  0.723292  0.387844  1
  Ni  Ni156  1  0.386905  0.138959  0.424049  1
  Ni  Ni157  1  0.122969  0.931127  0.405720  1
  Ni  Ni158  1  0.129614  0.515497  0.368697  1
  Ni  Ni159  1  0.625931  0.041293  0.357965  1
  Ni  Ni160  1  0.621620  0.457249  0.394448  1
  Ni  Ni161  1  0.886571  0.499817  0.484060  1
  Ni  Ni162  1  0.885219  0.082094  0.448565  1
  Ni  Ni163  1  0.385788  0.557001  0.459149  1
  Ni  Ni164  1  0.387160  0.973819  0.495453  1
  Ni  Ni165  1  0.124344  0.765634  0.477247  1
  Ni  Ni166  1  0.123599  0.347993  0.441860  1
  Ni  Ni167  1  0.626204  0.873510  0.430412  1
  Ni  Ni168  1  0.624627  0.290942  0.466544  1
  Ni  Ni169  1  0.887228  0.333913  0.555754  1
  Ni  Ni170  1  0.886483  0.916272  0.520366  1
  Ni  Ni171  1  0.386200  0.390964  0.531070  1
  Ni  Ni172  1  0.384624  0.808396  0.567202  1
  Ni  Ni173  1  0.125608  0.599812  0.549048  1
  Ni  Ni174  1  0.124256  0.182089  0.513553  1
  Ni  Ni175  1  0.623667  0.708087  0.502161  1
  Ni  Ni176  1  0.625040  0.124905  0.538464  1
  Ni  Ni177  1  0.881214  0.166409  0.628916  1
  Ni  Ni178  1  0.887859  0.750779  0.591893  1
  Ni  Ni179  1  0.389207  0.224657  0.603166  1
  Ni  Ni180  1  0.384896  0.640613  0.639649  1
  Ni  Ni181  1  0.123330  0.432692  0.620650  1
  Ni  Ni182  1  0.122880  0.017037  0.585306  1
  Ni  Ni183  1  0.623923  0.542947  0.573565  1
  Ni  Ni184  1  0.621393  0.958614  0.609769  1
  Ni  Ni185  1  0.898382  0.007032  0.695933  1
  Ni  Ni186  1  0.890737  0.586442  0.662510  1
  Ni  Ni187  1  0.381041  0.058176  0.675339  1
  Ni  Ni188  1  0.405368  0.472717  0.706243  1
  Ni  Ni189  1  0.122420  0.271113  0.690250  1
  Ni  Ni190  1  0.120892  0.848790  0.658182  1
  Ni  Ni191  1  0.635944  0.374642  0.645442  1
  Ni  Ni192  1  0.620530  0.795056  0.679143  1
