# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.36975832
_cell_length_b   6.34399334
_cell_length_c   49.95010971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.06285697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4094.87709555
_cell_formula_units_Z   27
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  0.204563  0.590804  0.277116  1
  Al  Al2  1  0.489516  0.527462  0.292727  1
  Al  Al3  1  0.781438  0.417461  0.309238  1
  Al  Al4  1  0.402049  0.186775  0.287868  1
  Al  Al5  1  0.689557  0.112141  0.303094  1
  Al  Al6  1  0.977344  0.024207  0.317195  1
  Al  Al7  1  0.287773  0.915767  0.283851  1
  Al  Al8  1  0.597672  0.810547  0.298825  1
  Al  Al9  1  0.880756  0.735368  0.319100  1
  Al  Al10  1  0.072478  0.317469  0.326276  1
  Al  Al11  1  0.354712  0.247983  0.343058  1
  Al  Al12  1  0.639770  0.159804  0.358674  1
  Al  Al13  1  0.261305  0.932012  0.337771  1
  Al  Al14  1  0.544287  0.855454  0.352530  1
  Al  Al15  1  0.829502  0.764892  0.371029  1
  Al  Al16  1  0.159580  0.644657  0.332708  1
  Al  Al17  1  0.447536  0.557733  0.348830  1
  Al  Al18  1  0.731870  0.476764  0.364887  1
  Al  Al19  1  0.925051  0.073755  0.375270  1
  Al  Al20  1  0.209886  0.993453  0.392931  1
  Al  Al21  1  0.496033  0.907387  0.409509  1
  Al  Al22  1  0.116928  0.678652  0.387077  1
  Al  Al23  1  0.402089  0.596369  0.403469  1
  Al  Al24  1  0.687893  0.512761  0.419908  1
  Al  Al25  1  0.018010  0.388003  0.381493  1
  Al  Al26  1  0.304912  0.302811  0.398967  1
  Al  Al27  1  0.590094  0.219215  0.415405  1
  Al  Al28  1  0.780732  0.825497  0.426232  1
  Al  Al29  1  0.066929  0.738373  0.443029  1
  Al  Al30  1  0.352723  0.652065  0.459793  1
  Al  Al31  1  0.973412  0.426697  0.436566  1
  Al  Al32  1  0.258920  0.340605  0.453664  1
  Al  Al33  1  0.544581  0.255572  0.470256  1
  Al  Al34  1  0.875059  0.134112  0.431952  1
  Al  Al35  1  0.160450  0.048173  0.448985  1
  Al  Al36  1  0.446604  0.962466  0.465778  1
  Al  Al37  1  0.638560  0.566219  0.476321  1
  Al  Al38  1  0.924214  0.480600  0.493020  1
  Al  Al39  1  0.209569  0.395674  0.509985  1
  Al  Al40  1  0.830376  0.170304  0.486845  1
  Al  Al41  1  0.116173  0.084442  0.503781  1
  Al  Al42  1  0.401462  0.999124  0.520489  1
  Al  Al43  1  0.732206  0.877260  0.482476  1
  Al  Al44  1  0.017665  0.791736  0.499228  1
  Al  Al45  1  0.303441  0.705890  0.516163  1
  Al  Al46  1  0.495180  0.310157  0.526638  1
  Al  Al47  1  0.781163  0.224181  0.543180  1
  Al  Al48  1  0.066823  0.138212  0.560045  1
  Al  Al49  1  0.687114  0.913979  0.537169  1
  Al  Al50  1  0.973417  0.828019  0.553998  1
  Al  Al51  1  0.258766  0.742181  0.571071  1
  Al  Al52  1  0.589171  0.620866  0.532715  1
  Al  Al53  1  0.874822  0.535672  0.549318  1
  Al  Al54  1  0.160416  0.449531  0.566445  1
  Al  Al55  1  0.352939  0.050905  0.576814  1
  Al  Al56  1  0.637553  0.968912  0.593329  1
  Al  Al57  1  0.924078  0.881316  0.609978  1
  Al  Al58  1  0.543616  0.657240  0.587580  1
  Al  Al59  1  0.829073  0.573210  0.603992  1
  Al  Al60  1  0.115832  0.487825  0.621461  1
  Al  Al61  1  0.445893  0.363569  0.583072  1
  Al  Al62  1  0.731734  0.280385  0.599416  1
  Al  Al63  1  0.016768  0.196884  0.616159  1
  Al  Al64  1  0.208961  0.801409  0.627738  1
  Al  Al65  1  0.494448  0.717003  0.644389  1
  Al  Al66  1  0.779419  0.630826  0.659715  1
  Al  Al67  1  0.402195  0.399211  0.638119  1
  Al  Al68  1  0.686321  0.319932  0.654017  1
  Al  Al69  1  0.972922  0.229920  0.670787  1
  Al  Al70  1  0.304384  0.111006  0.632039  1
  Al  Al71  1  0.589927  0.021206  0.650480  1
  Al  Al72  1  0.871621  0.944062  0.664643  1
  Al  Al73  1  0.061051  0.559170  0.676419  1
  Al  Al74  1  0.352129  0.459458  0.693725  1
  Al  Al75  1  0.645282  0.346362  0.709961  1
  Al  Al76  1  0.251892  0.140146  0.683915  1
  Al  Al77  1  0.535466  0.066894  0.704068  1
  Al  Al78  1  0.854704  0.969258  0.718205  1
  Al  Al79  1  0.156836  0.850461  0.685410  1
  Al  Al80  1  0.444572  0.764008  0.699859  1
  Al  Al81  1  0.732696  0.700832  0.714568  1
  Ni  Ni82  1  0.329232  0.555889  0.311816  1
  Ni  Ni83  1  0.778117  0.726213  0.282241  1
  Ni  Ni84  1  0.045508  0.620351  0.295968  1
  Ni  Ni85  1  0.232705  0.283980  0.308444  1
  Ni  Ni86  1  0.517964  0.201882  0.322791  1
  Ni  Ni87  1  0.942512  0.396775  0.292447  1
  Ni  Ni88  1  0.190535  0.300802  0.361363  1
  Ni  Ni89  1  0.615274  0.474170  0.328017  1
  Ni  Ni90  1  0.904454  0.381348  0.343615  1
  Ni  Ni91  1  0.088835  0.018742  0.357548  1
  Ni  Ni92  1  0.375532  0.938023  0.374368  1
  Ni  Ni93  1  0.803497  0.114423  0.340594  1
  Ni  Ni94  1  0.045047  0.046368  0.411074  1
  Ni  Ni95  1  0.476139  0.215703  0.378059  1
  Ni  Ni96  1  0.759808  0.134654  0.394262  1
  Ni  Ni97  1  0.946172  0.768692  0.407517  1
  Ni  Ni98  1  0.231756  0.683193  0.424394  1
  Ni  Ni99  1  0.658829  0.855507  0.390566  1
  Ni  Ni100  1  0.902706  0.790390  0.461502  1
  Ni  Ni101  1  0.331591  0.960569  0.428226  1
  Ni  Ni102  1  0.616979  0.876157  0.444874  1
  Ni  Ni103  1  0.802858  0.513825  0.457560  1
  Ni  Ni104  1  0.088408  0.427848  0.474417  1
  Ni  Ni105  1  0.517227  0.598312  0.440979  1
  Ni  Ni106  1  0.759787  0.533950  0.511735  1
  Ni  Ni107  1  0.188492  0.704702  0.478425  1
  Ni  Ni108  1  0.474234  0.619203  0.495118  1
  Ni  Ni109  1  0.659536  0.257251  0.507857  1
  Ni  Ni110  1  0.945450  0.171478  0.524585  1
  Ni  Ni111  1  0.373939  0.342417  0.491235  1
  Ni  Ni112  1  0.616519  0.278297  0.561955  1
  Ni  Ni113  1  0.045403  0.448275  0.528592  1
  Ni  Ni114  1  0.330951  0.362342  0.545447  1
  Ni  Ni115  1  0.516507  1.000339  0.558053  1
  Ni  Ni116  1  0.802114  0.915751  0.574728  1
  Ni  Ni117  1  0.231058  0.085853  0.541512  1
  Ni  Ni118  1  0.475029  0.020889  0.612452  1
  Ni  Ni119  1  0.902213  0.192674  0.578650  1
  Ni  Ni120  1  0.187510  0.107306  0.595572  1
  Ni  Ni121  1  0.374229  0.741378  0.608807  1
  Ni  Ni122  1  0.657797  0.661321  0.624864  1
  Ni  Ni123  1  0.088760  0.830005  0.591955  1
  Ni  Ni124  1  0.330711  0.761687  0.662346  1
  Ni  Ni125  1  0.757671  0.939677  0.628285  1
  Ni  Ni126  1  0.044731  0.857738  0.645347  1
  Ni  Ni127  1  0.229678  0.492742  0.659326  1
  Ni  Ni128  1  0.518621  0.402499  0.674935  1
  Ni  Ni129  1  0.943740  0.572873  0.641642  1
  Ni  Ni130  1  0.190846  0.478913  0.710190  1
  Ni  Ni131  1  0.616897  0.674260  0.680298  1
  Ni  Ni132  1  0.902532  0.587732  0.695117  1
  Ni  Ni133  1  0.084383  0.259327  0.706775  1
  Ni  Ni134  1  0.355144  0.150367  0.720549  1
  Ni  Ni135  1  0.803683  0.328252  0.691075  1
