# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32094689
_cell_length_b   12.38537393
_cell_length_c   54.19770490
_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   4242.99148924
_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  0.029965  0.616503  0.378976  1
  Al  Al2  1  1.010608  0.926137  0.324320  1
  Al  Al3  1  0.185346  0.163233  0.315508  1
  Al  Al4  1  0.190991  0.858151  0.373373  1
  Al  Al5  1  0.195253  0.393380  0.381848  1
  Al  Al6  1  0.205343  0.697731  0.327722  1
  Al  Al7  1  0.363105  0.354039  0.298683  1
  Al  Al8  1  0.328078  0.048487  0.354075  1
  Al  Al9  1  0.765671  0.254270  0.304922  1
  Al  Al10  1  0.684063  0.930447  0.358616  1
  Al  Al11  1  0.851934  0.586914  0.331545  1
  Al  Al12  1  0.843078  0.890207  0.279309  1
  Al  Al13  1  0.700523  0.466644  0.368847  1
  Al  Al14  1  0.668092  0.775331  0.315448  1
  Al  Al15  1  0.854784  0.445035  0.286011  1
  Al  Al16  1  0.834579  0.118446  0.341239  1
  Al  Al17  1  0.350034  0.511072  0.344364  1
  Al  Al18  1  0.305846  0.834790  0.289966  1
  Al  Al19  1  0.529588  0.708824  0.362508  1
  Al  Al20  1  0.542975  0.002695  0.310464  1
  Al  Al21  1  0.026909  0.369212  0.333663  1
  Al  Al22  1  0.962354  0.673610  0.286183  1
  Al  Al23  1  0.502785  0.267671  0.348167  1
  Al  Al24  1  0.522823  0.582818  0.297418  1
  Al  Al25  1  0.024617  -0.000471  0.490888  1
  Al  Al26  1  0.023085  0.306867  0.434804  1
  Al  Al27  1  0.195112  0.549641  0.428094  1
  Al  Al28  1  0.193292  0.241583  0.484022  1
  Al  Al29  1  0.193273  0.776572  0.494158  1
  Al  Al30  1  0.191799  0.085313  0.438073  1
  Al  Al31  1  0.337466  0.738572  0.410677  1
  Al  Al32  1  0.335901  0.430435  0.466114  1
  Al  Al33  1  0.697108  0.623542  0.414824  1
  Al  Al34  1  0.692116  0.315125  0.470697  1
  Al  Al35  1  0.833647  0.970093  0.442865  1
  Al  Al36  1  0.834497  0.277586  0.386109  1
  Al  Al37  1  0.693444  0.850007  0.480916  1
  Al  Al38  1  0.691924  0.159064  0.424568  1
  Al  Al39  1  0.833747  0.813241  0.396918  1
  Al  Al40  1  0.836798  0.503646  0.452830  1
  Al  Al41  1  0.336623  0.896269  0.456166  1
  Al  Al42  1  0.332078  0.204978  0.399672  1
  Al  Al43  1  0.523474  0.092955  0.473915  1
  Al  Al44  1  0.527071  0.400341  0.417916  1
  Al  Al45  1  1.004973  0.746765  0.446151  1
  Al  Al46  1  0.999452  0.055162  0.389839  1
  Al  Al47  1  0.505212  0.653063  0.462929  1
  Al  Al48  1  0.503499  0.961947  0.407044  1
  Al  Al49  1  0.030030  0.382358  0.603030  1
  Al  Al50  1  0.024509  0.690755  0.546718  1
  Al  Al51  1  0.192684  0.933874  0.540038  1
  Al  Al52  1  0.195735  0.624279  0.595950  1
  Al  Al53  1  0.194985  0.159934  0.606760  1
  Al  Al54  1  0.195835  0.467427  0.550004  1
  Al  Al55  1  0.337366  0.122395  0.522172  1
  Al  Al56  1  0.332374  0.813979  0.578045  1
  Al  Al57  1  0.693582  0.007085  0.526755  1
  Al  Al58  1  0.692016  0.698948  0.582192  1
  Al  Al59  1  0.837683  0.352207  0.554796  1
  Al  Al60  1  0.836210  0.660948  0.498711  1
  Al  Al61  1  0.697405  0.232542  0.593197  1
  Al  Al62  1  0.692859  0.541251  0.536703  1
  Al  Al63  1  0.836190  0.195937  0.508846  1
  Al  Al64  1  0.834370  0.887880  0.564774  1
  Al  Al65  1  0.337559  0.278456  0.568301  1
  Al  Al66  1  0.336039  0.587513  0.511952  1
  Al  Al67  1  0.525984  0.475573  0.585825  1
  Al  Al68  1  0.524270  0.784458  0.529940  1
  Al  Al69  1  1.006398  0.130654  0.558065  1
  Al  Al70  1  1.004866  0.437991  0.501980  1
  Al  Al71  1  0.502411  0.037179  0.574952  1
  Al  Al72  1  0.506008  0.344565  0.518954  1
  Al  Al73  1  0.067129  0.763911  0.706686  1
  Al  Al74  1  1.002573  0.068308  0.659206  1
  Al  Al75  1  0.194903  0.319074  0.651630  1
  Al  Al76  1  0.174698  0.992485  0.706858  1
  Al  Al77  1  0.186404  0.547313  0.713559  1
  Al  Al78  1  0.177548  0.850606  0.661324  1
  Al  Al79  1  0.345419  0.507073  0.634252  1
  Al  Al80  1  0.263812  0.183251  0.687946  1
  Al  Al81  1  0.701404  0.389033  0.638793  1
  Al  Al82  1  0.666377  0.083482  0.694186  1
  Al  Al83  1  0.824139  0.739790  0.665146  1
  Al  Al84  1  0.834230  0.044141  0.611020  1
  Al  Al85  1  0.723637  0.602730  0.702903  1
  Al  Al86  1  0.679449  0.926449  0.648505  1
  Al  Al87  1  0.838491  0.579369  0.619496  1
  Al  Al88  1  0.844136  0.274288  0.677361  1
  Al  Al89  1  0.361390  0.662190  0.677421  1
  Al  Al90  1  0.328959  0.970876  0.624022  1
  Al  Al91  1  0.506660  0.854702  0.695450  1
  Al  Al92  1  0.526697  0.169850  0.644701  1
  Al  Al93  1  0.018874  0.511383  0.668549  1
  Al  Al94  1  0.999518  0.821017  0.613893  1
  Al  Al95  1  0.486507  0.434825  0.682405  1
  Al  Al96  1  0.499895  0.728696  0.630361  1
  Ni  Ni97  1  0.878675  0.073745  0.295236  1
  Ni  Ni98  1  0.898384  0.766153  0.351779  1
  Ni  Ni99  1  0.478357  0.159927  0.285233  1
  Ni  Ni100  1  0.371030  0.866744  0.334916  1
  Ni  Ni101  1  0.160187  0.523153  0.305684  1
  Ni  Ni102  1  0.135805  0.215619  0.360387  1
  Ni  Ni103  1  0.653749  0.422972  0.324448  1
  Ni  Ni104  1  0.630825  0.111482  0.379514  1
  Ni  Ni105  1  0.895128  0.456401  0.407784  1
  Ni  Ni106  1  0.891108  0.148839  0.463729  1
  Ni  Ni107  1  0.396891  0.559335  0.389265  1
  Ni  Ni108  1  0.391207  0.251672  0.444965  1
  Ni  Ni109  1  0.134908  0.906076  0.417531  1
  Ni  Ni110  1  0.137202  0.597152  0.473108  1
  Ni  Ni111  1  0.638023  0.802681  0.435985  1
  Ni  Ni112  1  0.637125  0.494094  0.491726  1
  Ni  Ni113  1  0.892281  0.840368  0.519760  1
  Ni  Ni114  1  0.894575  0.531444  0.575338  1
  Ni  Ni115  1  0.392357  0.943427  0.501142  1
  Ni  Ni116  1  0.391459  0.634840  0.556884  1
  Ni  Ni117  1  0.138375  0.288681  0.529139  1
  Ni  Ni118  1  0.134354  0.981119  0.585085  1
  Ni  Ni119  1  0.638276  0.185849  0.547903  1
  Ni  Ni120  1  0.632591  0.878185  0.603603  1
  Ni  Ni121  1  0.893678  0.221902  0.632482  1
  Ni  Ni122  1  0.869295  0.914367  0.687185  1
  Ni  Ni123  1  0.398657  0.326038  0.613355  1
  Ni  Ni124  1  0.375733  0.014549  0.668421  1
  Ni  Ni125  1  0.131098  0.671368  0.641090  1
  Ni  Ni126  1  0.150808  0.363776  0.697632  1
  Ni  Ni127  1  0.658452  0.570777  0.657953  1
  Ni  Ni128  1  0.551125  0.277593  0.707636  1
