# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83601843
_cell_length_b   16.22495200
_cell_length_c   49.00158996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.25253845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6120.73147742
_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  0.580548  0.893817  0.306757  1
  Al  Al2  1  0.756387  0.421729  0.271187  1
  Al  Al3  1  0.849096  0.015619  0.286998  1
  Al  Al4  1  0.651408  0.483485  0.325194  1
  Al  Al5  1  0.879260  0.824297  0.272058  1
  Al  Al6  1  0.730980  0.286543  0.309458  1
  Al  Al7  1  0.722393  0.016000  0.338612  1
  Al  Al8  1  0.908209  0.545934  0.299942  1
  Al  Al9  1  0.225265  0.997143  0.307322  1
  Al  Al10  1  0.414065  0.526399  0.269048  1
  Al  Al11  1  0.407405  0.251591  0.295554  1
  Al  Al12  1  0.227207  0.724398  0.336962  1
  Al  Al13  1  0.325368  0.797420  0.290743  1
  Al  Al14  1  0.130228  0.270518  0.330599  1
  Al  Al15  1  0.488839  0.058534  0.283643  1
  Al  Al16  1  0.305928  0.528680  0.321756  1
  Al  Al17  1  0.021649  0.272113  0.277265  1
  Al  Al18  1  0.831052  0.737768  0.317801  1
  Al  Al19  1  0.993864  0.879969  0.322828  1
  Al  Al20  1  0.176697  0.411571  0.288011  1
  Al  Al21  1  0.382134  0.118558  0.339220  1
  Al  Al22  1  0.551367  0.644610  0.302009  1
  Al  Al23  1  0.957992  0.131378  0.325843  1
  Al  Al24  1  0.131865  0.662115  0.286840  1
  Al  Al25  1  0.210020  0.835003  0.383145  1
  Al  Al26  1  0.391435  0.361858  0.344200  1
  Al  Al27  1  0.466940  0.954448  0.362751  1
  Al  Al28  1  0.287477  0.425530  0.401838  1
  Al  Al29  1  0.541585  0.759140  0.347137  1
  Al  Al30  1  0.363104  0.228375  0.385592  1
  Al  Al31  1  0.363647  0.957321  0.415619  1
  Al  Al32  1  0.544070  0.485429  0.377193  1
  Al  Al33  1  0.866368  0.937756  0.384751  1
  Al  Al34  1  0.051972  0.467537  0.346589  1
  Al  Al35  1  0.045036  0.195121  0.376396  1
  Al  Al36  1  0.864268  0.665743  0.414589  1
  Al  Al37  1  0.944852  0.742737  0.369217  1
  Al  Al38  1  0.758585  0.213776  0.407248  1
  Al  Al39  1  0.121028  0.997787  0.359824  1
  Al  Al40  1  0.939990  0.469504  0.398570  1
  Al  Al41  1  0.648326  0.209591  0.354807  1
  Al  Al42  1  0.469809  0.682156  0.393377  1
  Al  Al43  1  0.632047  0.823579  0.399143  1
  Al  Al44  1  0.813262  0.351219  0.361112  1
  Al  Al45  1  0.021058  0.059798  0.416776  1
  Al  Al46  1  0.203607  0.589100  0.378559  1
  Al  Al47  1  0.596014  0.071386  0.401259  1
  Al  Al48  1  0.777653  0.601425  0.362005  1
  Al  Al49  1  0.846435  0.776440  0.460849  1
  Al  Al50  1  0.026502  0.305794  0.422191  1
  Al  Al51  1  0.107518  0.896651  0.440472  1
  Al  Al52  1  0.926521  0.366945  0.479014  1
  Al  Al53  1  0.182870  0.699689  0.424376  1
  Al  Al54  1  1.002224  0.170285  0.462945  1
  Al  Al55  1  1.002158  0.898908  0.493040  1
  Al  Al56  1  0.182375  0.428086  0.454378  1
  Al  Al57  1  0.503345  0.878971  0.461625  1
  Al  Al58  1  0.683686  0.408064  0.423024  1
  Al  Al59  1  0.684022  0.136482  0.453140  1
  Al  Al60  1  0.503492  0.607367  0.491702  1
  Al  Al61  1  0.578723  0.684705  0.445797  1
  Al  Al62  1  0.397967  0.155397  0.484255  1
  Al  Al63  1  0.759732  0.940151  0.437159  1
  Al  Al64  1  0.579049  0.410742  0.475584  1
  Al  Al65  1  0.287641  0.151621  0.431566  1
  Al  Al66  1  0.107332  0.622421  0.470302  1
  Al  Al67  1  0.270140  0.764789  0.476029  1
  Al  Al68  1  0.450507  0.293838  0.437422  1
  Al  Al69  1  0.658869  1.001417  0.493800  1
  Al  Al70  1  0.838819  0.530687  0.455129  1
  Al  Al71  1  0.235643  0.013048  0.478647  1
  Al  Al72  1  0.416223  0.542389  0.439994  1
  Al  Al73  1  0.486391  0.717735  0.538069  1
  Al  Al74  1  0.666341  0.247005  0.499398  1
  Al  Al75  1  0.746161  0.837680  0.517614  1
  Al  Al76  1  0.565478  0.308271  0.556039  1
  Al  Al77  1  0.821718  0.641055  0.501496  1
  Al  Al78  1  0.641188  0.111941  0.540058  1
  Al  Al79  1  0.641524  0.840358  0.570174  1
  Al  Al80  1  0.821865  0.369451  0.531572  1
  Al  Al81  1  0.142835  0.820336  0.538820  1
  Al  Al82  1  0.323052  0.349514  0.500158  1
  Al  Al83  1  0.322985  0.078137  0.530253  1
  Al  Al84  1  0.142340  0.548733  0.568822  1
  Al  Al85  1  0.217878  0.626001  0.522896  1
  Al  Al86  1  0.037569  0.096801  0.561632  1
  Al  Al87  1  0.398689  0.881477  0.514184  1
  Al  Al88  1  0.217692  0.351771  0.552726  1
  Al  Al89  1  0.927243  0.093025  0.508943  1
  Al  Al90  1  0.746487  0.563717  0.547401  1
  Al  Al91  1  0.908986  0.706033  0.553204  1
  Al  Al92  1  0.089567  0.235374  0.514551  1
  Al  Al93  1  0.298707  0.942628  0.571007  1
  Al  Al94  1  0.478775  0.471982  0.532349  1
  Al  Al95  1  0.874703  0.954584  0.555776  1
  Al  Al96  1  0.055070  0.483634  0.517169  1
  Al  Al97  1  0.121602  0.659323  0.614639  1
  Al  Al98  1  0.304152  0.188624  0.576421  1
  Al  Al99  1  0.385220  0.778918  0.594628  1
  Al  Al100  1  0.204182  0.250635  0.633374  1
  Al  Al101  1  0.460942  0.582679  0.578609  1
  Al  Al102  1  0.280174  0.053301  0.616802  1
  Al  Al103  1  0.273238  0.780885  0.646609  1
  Al  Al104  1  0.458842  0.310666  0.608447  1
  Al  Al105  1  0.781140  0.762993  0.616005  1
  Al  Al106  1  0.961563  0.291101  0.577579  1
  Al  Al107  1  0.962105  0.020047  0.607606  1
  Al  Al108  1  0.783625  0.489282  0.646061  1
  Al  Al109  1  0.855401  0.566266  0.599821  1
  Al  Al110  1  0.676884  0.038831  0.638391  1
  Al  Al111  1  0.037732  0.822892  0.591360  1
  Al  Al112  1  0.858270  0.293974  0.630447  1
  Al  Al113  1  0.566624  0.034646  0.585950  1
  Al  Al114  1  0.380358  0.505685  0.623981  1
  Al  Al115  1  0.547556  0.646997  0.631193  1
  Al  Al116  1  0.729196  0.177037  0.591939  1
  Al  Al117  1  0.933774  0.886565  0.648998  1
  Al  Al118  1  0.115190  0.413419  0.610053  1
  Al  Al119  1  0.511948  0.897203  0.632086  1
  Al  Al120  1  0.693163  0.424843  0.594055  1
  Al  Al121  1  0.773842  0.603813  0.691189  1
  Al  Al122  1  0.943075  0.129864  0.653977  1
  Al  Al123  1  0.019282  0.719742  0.671442  1
  Al  Al124  1  0.836370  0.189888  0.709555  1
  Al  Al125  1  0.098003  0.524025  0.656236  1
  Al  Al126  1  0.917804  0.996831  0.697644  1
  Al  Al127  1  0.911145  0.722023  0.724150  1
  Al  Al128  1  0.099945  0.251279  0.685876  1
  Al  Al129  1  0.417001  0.702488  0.693256  1
  Al  Al130  1  0.602816  0.232422  0.654586  1
  Al  Al131  1  0.594229  0.961879  0.683740  1
  Al  Al132  1  0.445950  0.424125  0.721140  1
  Al  Al133  1  0.494157  0.510655  0.675397  1
  Al  Al134  1  0.303560  0.976309  0.715933  1
  Al  Al135  1  0.673802  0.764937  0.668004  1
  Al  Al136  1  0.476114  0.232804  0.706200  1
  Al  Al137  1  0.194982  0.977904  0.662599  1
  Al  Al138  1  0.999842  0.451002  0.702455  1
  Al  Al139  1  0.193345  0.586307  0.706358  1
  Al  Al140  1  0.367218  0.117044  0.667355  1
  Al  Al141  1  0.568823  0.826693  0.722011  1
  Al  Al142  1  0.744662  0.354605  0.686441  1
  Al  Al143  1  0.148513  0.836851  0.705187  1
  Al  Al144  1  0.331346  0.368453  0.670370  1
  Ni  Ni145  1  0.299912  0.871022  0.335422  1
  Ni  Ni146  1  0.486878  0.397990  0.297759  1
  Ni  Ni147  1  0.104674  0.911886  0.274614  1
  Ni  Ni148  1  0.920498  0.388825  0.313562  1
  Ni  Ni149  1  0.657272  0.142748  0.309794  1
  Ni  Ni150  1  0.806884  0.675237  0.272792  1
  Ni  Ni151  1  0.207053  0.147982  0.296985  1
  Ni  Ni152  1  0.039184  0.620936  0.335918  1
  Ni  Ni153  1  0.938572  0.812509  0.413768  1
  Ni  Ni154  1  0.119456  0.341550  0.375033  1
  Ni  Ni155  1  0.736528  0.860468  0.350345  1
  Ni  Ni156  1  0.552613  0.331487  0.387765  1
  Ni  Ni157  1  0.290288  0.082173  0.386470  1
  Ni  Ni158  1  0.470568  0.611743  0.349352  1
  Ni  Ni159  1  0.854695  0.091754  0.374098  1
  Ni  Ni160  1  0.672975  0.563194  0.412134  1
  Ni  Ni161  1  0.576434  0.753736  0.490777  1
  Ni  Ni162  1  0.756895  0.282922  0.452185  1
  Ni  Ni163  1  0.372977  0.802856  0.426397  1
  Ni  Ni164  1  0.192800  0.273225  0.464908  1
  Ni  Ni165  1  0.929339  0.024070  0.463952  1
  Ni  Ni166  1  0.109817  0.553291  0.425398  1
  Ni  Ni167  1  0.492667  0.033817  0.450967  1
  Ni  Ni168  1  0.312511  0.504454  0.489596  1
  Ni  Ni169  1  0.215393  0.695131  0.567800  1
  Ni  Ni170  1  0.395871  0.224352  0.529245  1
  Ni  Ni171  1  0.012699  0.743968  0.503602  1
  Ni  Ni172  1  0.832543  0.214605  0.542231  1
  Ni  Ni173  1  0.568315  0.965500  0.541013  1
  Ni  Ni174  1  0.748776  0.494686  0.502421  1
  Ni  Ni175  1  0.132410  0.975197  0.528289  1
  Ni  Ni176  1  0.952232  0.445566  0.566801  1
  Ni  Ni177  1  0.854642  0.636679  0.643846  1
  Ni  Ni178  1  0.034922  0.166249  0.606728  1
  Ni  Ni179  1  0.652235  0.685228  0.581064  1
  Ni  Ni180  1  0.470514  0.156668  0.619100  1
  Ni  Ni181  1  0.205754  0.906872  0.618165  1
  Ni  Ni182  1  0.386638  0.435913  0.579430  1
  Ni  Ni183  1  0.772597  0.916935  0.605433  1
  Ni  Ni184  1  0.588682  0.387954  0.642853  1
  Ni  Ni185  1  0.518326  0.573185  0.720406  1
  Ni  Ni186  1  0.667938  0.105674  0.683404  1
  Ni  Ni187  1  0.286025  0.627486  0.657279  1
  Ni  Ni188  1  0.118157  0.100440  0.696213  1
  Ni  Ni189  1  0.838332  0.850432  0.695439  1
  Ni  Ni190  1  0.025298  0.377400  0.657776  1
  Ni  Ni191  1  0.404712  0.859597  0.679636  1
  Ni  Ni192  1  0.220536  0.336536  0.718584  1
