# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76995628
_cell_length_b   25.99878545
_cell_length_c   51.16583947
_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   6345.23282979
_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  0.615077  0.894103  0.336421  1
  Al  Al2  1  0.618250  0.522601  0.364557  1
  Al  Al3  1  0.606404  0.270334  0.293624  1
  Al  Al4  1  0.876849  0.870983  0.293923  1
  Al  Al5  1  0.153185  0.490681  0.332493  1
  Al  Al6  1  0.120549  0.112844  0.366809  1
  Al  Al7  1  0.097373  0.962186  0.323252  1
  Al  Al8  1  0.137934  0.590861  0.361540  1
  Al  Al9  1  0.136927  0.338578  0.288991  1
  Al  Al10  1  0.638505  0.733060  0.379561  1
  Al  Al11  1  0.654722  0.482510  0.310440  1
  Al  Al12  1  0.622000  0.106286  0.344547  1
  Al  Al13  1  0.375784  0.800318  0.354716  1
  Al  Al14  1  0.411640  0.547515  0.279017  1
  Al  Al15  1  0.379108  0.174119  0.314511  1
  Al  Al16  1  1.002258  0.697630  0.306899  1
  Al  Al17  1  0.889741  0.318653  0.334981  1
  Al  Al18  1  0.898257  0.943950  0.372152  1
  Al  Al19  1  0.375169  0.899232  0.381548  1
  Al  Al20  1  0.480695  0.648206  0.298491  1
  Al  Al21  1  0.385654  0.276622  0.342882  1
  Al  Al22  1  0.875254  0.791150  0.334090  1
  Al  Al23  1  0.893497  0.421241  0.364337  1
  Al  Al24  1  0.880966  0.168896  0.292794  1
  Al  Al25  1  0.650166  0.640466  0.349529  1
  Al  Al26  1  0.630007  0.386888  0.280874  1
  Al  Al27  1  0.594409  1.000508  0.313731  1
  Al  Al28  1  0.909969  0.834791  0.382867  1
  Al  Al29  1  0.947312  0.582548  0.308838  1
  Al  Al30  1  0.902606  0.206632  0.344850  1
  Al  Al31  1  0.331818  0.808405  0.303064  1
  Al  Al32  1  0.417118  0.390240  0.330962  1
  Al  Al33  1  0.394464  0.011271  0.366035  1
  Al  Al34  1  0.138589  0.700443  0.355274  1
  Al  Al35  1  0.143949  0.451497  0.281467  1
  Al  Al36  1  0.104152  0.074106  0.313240  1
  Al  Al37  1  0.606312  0.767616  0.440877  1
  Al  Al38  1  0.601967  0.393556  0.476544  1
  Al  Al39  1  0.599466  0.143534  0.400838  1
  Al  Al40  1  0.127018  0.739294  0.407353  1
  Al  Al41  1  0.123417  0.364402  0.443601  1
  Al  Al42  1  0.117857  0.989458  0.480885  1
  Al  Al43  1  0.118175  0.838332  0.436338  1
  Al  Al44  1  0.124352  0.463335  0.473299  1
  Al  Al45  1  0.120108  0.213965  0.397700  1
  Al  Al46  1  0.625622  0.606170  0.494966  1
  Al  Al47  1  0.623752  0.356863  0.419651  1
  Al  Al48  1  0.617237  0.980763  0.456706  1
  Al  Al49  1  0.392809  0.676520  0.463656  1
  Al  Al50  1  0.396253  0.428587  0.387723  1
  Al  Al51  1  0.385586  0.051738  0.424230  1
  Al  Al52  1  0.898891  0.569599  0.410249  1
  Al  Al53  1  0.887296  0.194040  0.445300  1
  Al  Al54  1  0.894017  0.819400  0.484745  1
  Al  Al55  1  0.393217  0.775496  0.493037  1
  Al  Al56  1  0.398634  0.526590  0.417391  1
  Al  Al57  1  0.386287  0.150639  0.453269  1
  Al  Al58  1  0.895660  0.668313  0.439885  1
  Al  Al59  1  0.888196  0.293469  0.475201  1
  Al  Al60  1  0.883548  0.043818  0.399425  1
  Al  Al61  1  0.624996  0.507192  0.465288  1
  Al  Al62  1  0.623496  0.257659  0.389557  1
  Al  Al63  1  0.618708  0.883213  0.428684  1
  Al  Al64  1  0.913710  0.706464  0.496285  1
  Al  Al65  1  0.915983  0.457296  0.420507  1
  Al  Al66  1  0.908218  0.081071  0.456552  1
  Al  Al67  1  0.407595  0.640622  0.405469  1
  Al  Al68  1  0.409220  0.264140  0.442169  1
  Al  Al69  1  0.412000  0.888903  0.481289  1
  Al  Al70  1  0.103853  0.576247  0.462407  1
  Al  Al71  1  0.104252  0.328074  0.387017  1
  Al  Al72  1  0.094840  0.952626  0.424697  1
  Al  Al73  1  0.603889  0.642917  0.552227  1
  Al  Al74  1  0.605514  0.266435  0.588926  1
  Al  Al75  1  0.601109  0.018154  0.513106  1
  Al  Al76  1  0.124913  0.613588  0.519194  1
  Al  Al77  1  0.117450  0.238743  0.554510  1
  Al  Al78  1  0.129561  0.863238  0.594970  1
  Al  Al79  1  0.125814  0.713016  0.549095  1
  Al  Al80  1  0.114218  0.337458  0.584146  1
  Al  Al81  1  0.119092  0.087656  0.509650  1
  Al  Al82  1  0.616856  0.478470  0.606672  1
  Al  Al83  1  0.620300  0.230537  0.530739  1
  Al  Al84  1  0.627524  0.855318  0.570165  1
  Al  Al85  1  0.389358  0.550193  0.574744  1
  Al  Al86  1  0.387488  0.300887  0.499430  1
  Al  Al87  1  0.395872  0.926293  0.537689  1
  Al  Al88  1  0.888757  0.443721  0.521096  1
  Al  Al89  1  0.894935  0.068724  0.558058  1
  Al  Al90  1  0.893001  0.693092  0.596695  1
  Al  Al91  1  0.389614  0.649398  0.604838  1
  Al  Al92  1  0.388114  0.399864  0.529107  1
  Al  Al93  1  0.394401  0.023844  0.565711  1
  Al  Al94  1  0.889692  0.542655  0.550795  1
  Al  Al95  1  0.886091  0.167763  0.587042  1
  Al  Al96  1  0.895252  0.917599  0.513510  1
  Al  Al97  1  0.614475  0.380466  0.577004  1
  Al  Al98  1  0.619892  0.131561  0.501358  1
  Al  Al99  1  0.626822  0.756418  0.541127  1
  Al  Al100  1  0.908857  0.578983  0.607378  1
  Al  Al101  1  0.909256  0.330809  0.531988  1
  Al  Al102  1  0.918269  0.954430  0.569698  1
  Al  Al103  1  0.411142  0.513500  0.517852  1
  Al  Al104  1  0.406798  0.139441  0.553518  1
  Al  Al105  1  0.413643  0.763522  0.593557  1
  Al  Al106  1  0.097126  0.449760  0.573888  1
  Al  Al107  1  0.099400  0.200593  0.498110  1
  Al  Al108  1  0.104892  0.825986  0.537843  1
  Al  Al109  1  0.595992  0.516817  0.663433  1
  Al  Al110  1  0.681291  0.098652  0.691331  1
  Al  Al111  1  0.618645  0.895786  0.628360  1
  Al  Al112  1  0.119612  0.485815  0.630058  1
  Al  Al113  1  0.137855  0.115907  0.660305  1
  Al  Al114  1  0.132143  0.738160  0.701601  1
  Al  Al115  1  0.123368  0.588404  0.659415  1
  Al  Al116  1  0.010852  0.209426  0.687496  1
  Al  Al117  1  0.114852  0.963106  0.622243  1
  Al  Al118  1  0.601470  0.359541  0.715378  1
  Al  Al119  1  0.637326  0.106739  0.639679  1
  Al  Al120  1  0.634001  0.732938  0.679884  1
  Al  Al121  1  0.358387  0.424547  0.683956  1
  Al  Al122  1  0.374605  0.173997  0.614834  1
  Al  Al123  1  0.391109  0.800770  0.649848  1
  Al  Al124  1  0.875175  0.316196  0.632855  1
  Al  Al125  1  0.915737  0.944871  0.671143  1
  Al  Al126  1  0.876182  0.568479  0.705404  1
  Al  Al127  1  0.383103  0.520169  0.713521  1
  Al  Al128  1  0.362943  0.266591  0.644866  1
  Al  Al129  1  0.418701  0.906548  0.680664  1
  Al  Al130  1  0.859924  0.416375  0.661902  1
  Al  Al131  1  0.136260  0.036074  0.700472  1
  Al  Al132  1  0.892560  0.794213  0.627586  1
  Al  Al133  1  0.532415  0.258850  0.695904  1
  Al  Al134  1  0.637940  0.007824  0.612847  1
  Al  Al135  1  0.627456  0.630435  0.651513  1
  Al  Al136  1  0.869160  0.455560  0.712928  1
  Al  Al137  1  0.874521  0.206613  0.639121  1
  Al  Al138  1  0.908958  0.832951  0.681155  1
  Al  Al139  1  0.394860  0.384456  0.629838  1
  Al  Al140  1  0.398033  0.012954  0.657974  1
  Al  Al141  1  0.406705  0.636722  0.700771  1
  Al  Al142  1  0.065797  0.324509  0.685557  1
  Al  Al143  1  0.103140  0.072266  0.611529  1
  Al  Al144  1  0.110503  0.700424  0.649545  1
  Ni  Ni145  1  0.114900  0.873853  0.338991  1
  Ni  Ni146  1  0.099281  0.503420  0.380428  1
  Ni  Ni147  1  0.099393  0.250875  0.305371  1
  Ni  Ni148  1  0.375296  0.905964  0.295609  1
  Ni  Ni149  1  0.450666  0.567667  0.325013  1
  Ni  Ni150  1  0.420131  0.188694  0.361371  1
  Ni  Ni151  1  0.795352  0.774957  0.288341  1
  Ni  Ni152  1  0.931654  0.405971  0.317690  1
  Ni  Ni153  1  0.898168  0.029658  0.351267  1
  Ni  Ni154  1  0.521563  0.725760  0.326159  1
  Ni  Ni155  1  0.589685  0.345998  0.371235  1
  Ni  Ni156  1  0.593339  0.091285  0.297240  1
  Ni  Ni157  1  0.093035  0.751076  0.455893  1
  Ni  Ni158  1  0.087684  0.375651  0.492014  1
  Ni  Ni159  1  0.085972  0.125907  0.415868  1
  Ni  Ni160  1  0.439213  0.812474  0.401343  1
  Ni  Ni161  1  0.428658  0.438946  0.436366  1
  Ni  Ni162  1  0.422784  0.063363  0.472719  1
  Ni  Ni163  1  0.908391  0.656483  0.391439  1
  Ni  Ni164  1  0.923523  0.282079  0.426742  1
  Ni  Ni165  1  0.925842  0.906777  0.465103  1
  Ni  Ni166  1  0.585800  0.594932  0.446325  1
  Ni  Ni167  1  0.584759  0.218939  0.482236  1
  Ni  Ni168  1  0.579954  0.969867  0.407938  1
  Ni  Ni169  1  0.089587  0.624978  0.567653  1
  Ni  Ni170  1  0.104718  0.250573  0.602956  1
  Ni  Ni171  1  0.087267  1.000279  0.529292  1
  Ni  Ni172  1  0.428350  0.688117  0.512159  1
  Ni  Ni173  1  0.427310  0.312124  0.548070  1
  Ni  Ni174  1  0.433155  0.937190  0.586457  1
  Ni  Ni175  1  0.925426  0.531405  0.502381  1
  Ni  Ni176  1  0.920074  0.155981  0.538502  1
  Ni  Ni177  1  0.927137  0.781149  0.578527  1
  Ni  Ni178  1  0.584451  0.468111  0.558029  1
  Ni  Ni179  1  0.573896  0.094583  0.593052  1
  Ni  Ni180  1  0.590325  0.843694  0.521676  1
  Ni  Ni181  1  0.081455  0.501086  0.676705  1
  Ni  Ni182  1  0.217757  0.132100  0.706054  1
  Ni  Ni183  1  0.114941  0.877399  0.643128  1
  Ni  Ni184  1  0.423424  0.561058  0.623160  1
  Ni  Ni185  1  0.491546  0.181297  0.668236  1
  Ni  Ni186  1  0.419770  0.815772  0.697155  1
  Ni  Ni187  1  0.913828  0.403636  0.613967  1
  Ni  Ni188  1  0.898209  0.033204  0.655404  1
  Ni  Ni189  1  0.913717  0.656182  0.689024  1
  Ni  Ni190  1  0.562443  0.339390  0.669382  1
  Ni  Ni191  1  0.637813  1.001093  0.698786  1
  Ni  Ni192  1  0.592978  0.718362  0.633024  1
