# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75567819
_cell_length_b   17.62051973
_cell_length_c   47.65511877
_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   'Al96 Ni32'
_cell_volume   3993.38083615
_cell_formula_units_Z   32
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  0.409089  0.120307  0.294504  1
  Al  Al2  1  0.452811  0.577184  0.355064  1
  Al  Al3  1  0.743689  0.960610  0.335460  1
  Al  Al4  1  0.527600  0.484165  0.259334  1
  Al  Al5  1  0.731862  0.192373  0.358932  1
  Al  Al6  1  0.790269  0.667755  0.276715  1
  Al  Al7  1  0.778628  0.013348  0.283209  1
  Al  Al8  1  0.795002  0.473957  0.332671  1
  Al  Al9  1  0.246017  0.981352  0.308219  1
  Al  Al10  1  0.234661  0.443766  0.365088  1
  Al  Al11  1  0.429999  0.709206  0.319054  1
  Al  Al12  1  0.305805  0.306353  0.281939  1
  Al  Al13  1  0.235108  0.204041  0.335246  1
  Al  Al14  1  0.276306  0.618315  0.259542  1
  Al  Al15  1  0.260130  0.936949  0.362553  1
  Al  Al16  1  0.289907  0.443502  0.307798  1
  Al  Al17  1  0.788757  0.700998  0.362550  1
  Al  Al18  1  0.818113  0.232386  0.297219  1
  Al  Al19  1  0.931771  0.057411  0.373738  1
  Al  Al20  1  1.001606  0.611798  0.324381  1
  Al  Al21  1  0.569861  0.847722  0.298946  1
  Al  Al22  1  0.558799  0.330800  0.342733  1
  Al  Al23  1  0.056429  0.818025  0.327383  1
  Al  Al24  1  0.021647  0.416732  0.251809  1
  Al  Al25  1  0.431233  0.030663  0.406050  1
  Al  Al26  1  0.436453  0.483961  0.461112  1
  Al  Al27  1  0.736549  0.876277  0.445932  1
  Al  Al28  1  0.733921  0.422533  0.388375  1
  Al  Al29  1  0.737573  0.097232  0.471952  1
  Al  Al30  1  0.741562  0.644063  0.417234  1
  Al  Al31  1  0.765556  0.918650  0.390252  1
  Al  Al32  1  0.777416  0.369875  0.443666  1
  Al  Al33  1  0.234863  0.899437  0.420145  1
  Al  Al34  1  0.238352  0.350591  0.473762  1
  Al  Al35  1  0.275892  0.624798  0.446881  1
  Al  Al36  1  0.281006  0.168774  0.390760  1
  Al  Al37  1  0.237405  0.118678  0.445791  1
  Al  Al38  1  0.244231  0.669842  0.390957  1
  Al  Al39  1  0.276425  0.846120  0.474505  1
  Al  Al40  1  0.278693  0.392085  0.418432  1
  Al  Al41  1  0.776386  0.602254  0.472838  1
  Al  Al42  1  0.777620  0.148938  0.416492  1
  Al  Al43  1  0.934169  0.964316  0.485361  1
  Al  Al44  1  0.934967  0.510311  0.429426  1
  Al  Al45  1  0.576953  0.784376  0.403836  1
  Al  Al46  1  0.581222  0.236737  0.456529  1
  Al  Al47  1  0.076693  0.758029  0.435004  1
  Al  Al48  1  0.068498  0.300599  0.380734  1
  Al  Al49  1  0.433817  0.937352  0.517431  1
  Al  Al50  1  0.438086  0.389713  0.570124  1
  Al  Al51  1  0.736346  0.782004  0.555528  1
  Al  Al52  1  0.738614  0.327969  0.499454  1
  Al  Al53  1  0.734033  0.005315  0.583200  1
  Al  Al54  1  0.739147  0.549291  0.527078  1
  Al  Al55  1  0.776687  0.823498  0.500198  1
  Al  Al56  1  0.780177  0.274652  0.553815  1
  Al  Al57  1  0.237623  0.804214  0.530293  1
  Al  Al58  1  0.249483  0.255440  0.583708  1
  Al  Al59  1  0.273477  0.530026  0.556726  1
  Al  Al60  1  0.277466  0.076858  0.502008  1
  Al  Al61  1  0.237419  0.025151  0.557467  1
  Al  Al62  1  0.238653  0.571835  0.501122  1
  Al  Al63  1  0.281118  0.751556  0.585585  1
  Al  Al64  1  0.278490  0.297812  0.528028  1
  Al  Al65  1  0.770809  0.504247  0.583003  1
  Al  Al66  1  0.777634  0.055411  0.528168  1
  Al  Al67  1  0.946541  0.873490  0.593225  1
  Al  Al68  1  0.938346  0.416060  0.538955  1
  Al  Al69  1  0.578586  0.690128  0.512847  1
  Al  Al70  1  0.583806  0.143426  0.567909  1
  Al  Al71  1  0.080072  0.663778  0.544534  1
  Al  Al72  1  0.080871  0.209773  0.488598  1
  Al  Al73  1  0.456240  0.843289  0.631227  1
  Al  Al74  1  0.445178  0.326367  0.675013  1
  Al  Al75  1  0.725132  0.730587  0.666162  1
  Al  Al76  1  0.754910  0.237140  0.611406  1
  Al  Al77  1  0.709234  0.867736  0.692021  1
  Al  Al78  1  0.585040  0.464883  0.654906  1
  Al  Al79  1  0.780378  0.730323  0.608872  1
  Al  Al80  1  0.769022  0.192737  0.665740  1
  Al  Al81  1  0.220037  0.700132  0.641288  1
  Al  Al82  1  0.236411  0.160741  0.690751  1
  Al  Al83  1  0.224770  0.506334  0.697245  1
  Al  Al84  1  0.283177  0.981716  0.615028  1
  Al  Al85  1  0.196926  0.941703  0.676740  1
  Al  Al86  1  0.226282  0.473091  0.611410  1
  Al  Al87  1  0.487440  0.689924  0.714625  1
  Al  Al88  1  0.271350  0.213479  0.638500  1
  Al  Al89  1  0.738733  0.555774  0.714417  1
  Al  Al90  1  0.779931  0.970048  0.638714  1
  Al  Al91  1  0.993392  0.757357  0.722150  1
  Al  Al92  1  0.958610  0.356064  0.646576  1
  Al  Al93  1  0.562228  0.596905  0.618895  1
  Al  Al94  1  0.605950  0.053782  0.679456  1
  Al  Al95  1  0.013433  0.562292  0.649579  1
  Al  Al96  1  0.083268  0.116678  0.600222  1
  Ni  Ni97  1  0.424354  0.073256  0.347656  1
  Ni  Ni98  1  0.501844  0.571173  0.303138  1
  Ni  Ni99  1  0.914047  0.096563  0.322717  1
  Ni  Ni100  1  0.961533  0.526254  0.283940  1
  Ni  Ni101  1  0.568280  0.825736  0.352116  1
  Ni  Ni102  1  0.747411  0.383783  0.293209  1
  Ni  Ni103  1  0.090009  0.807348  0.379972  1
  Ni  Ni104  1  0.052096  0.335679  0.329268  1
  Ni  Ni105  1  0.417681  0.986512  0.459320  1
  Ni  Ni106  1  0.422520  0.532309  0.405367  1
  Ni  Ni107  1  0.914258  0.009405  0.432496  1
  Ni  Ni108  1  0.935030  0.558015  0.377432  1
  Ni  Ni109  1  0.594134  0.735660  0.460444  1
  Ni  Ni110  1  0.587875  0.281899  0.403872  1
  Ni  Ni111  1  0.095747  0.712278  0.487102  1
  Ni  Ni112  1  0.096925  0.257529  0.431658  1
  Ni  Ni113  1  0.427164  0.892190  0.570087  1
  Ni  Ni114  1  0.420905  0.438429  0.513515  1
  Ni  Ni115  1  0.918114  0.916560  0.542301  1
  Ni  Ni116  1  0.919293  0.461811  0.486857  1
  Ni  Ni117  1  0.592519  0.641780  0.568593  1
  Ni  Ni118  1  0.597358  0.187577  0.514639  1
  Ni  Ni119  1  0.080009  0.616074  0.596527  1
  Ni  Ni120  1  0.100781  0.164684  0.541464  1
  Ni  Ni121  1  0.267628  0.790306  0.680750  1
  Ni  Ni122  1  0.446759  0.348353  0.621843  1
  Ni  Ni123  1  0.962943  0.838410  0.644691  1
  Ni  Ni124  1  0.925030  0.366741  0.593987  1
  Ni  Ni125  1  0.513195  0.602917  0.670821  1
  Ni  Ni126  1  0.590685  0.100833  0.626304  1
  Ni  Ni127  1  0.053506  0.647835  0.690019  1
  Ni  Ni128  1  0.100992  0.077526  0.651242  1
