# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85608142
_cell_length_b   10.54046431
_cell_length_c   47.00625843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.98092253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3211.5274545
_cell_formula_units_Z   22
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  0.755243  0.977774  0.276368  1
  Al  Al2  1  0.514222  0.502440  0.297535  1
  Al  Al3  1  0.491077  0.784870  0.279740  1
  Al  Al4  1  0.292188  0.296050  0.290067  1
  Al  Al5  1  0.995808  0.158475  0.285114  1
  Al  Al6  1  0.798190  0.633440  0.313254  1
  Al  Al7  1  0.270365  0.959310  0.322468  1
  Al  Al8  1  0.054044  0.410342  0.341582  1
  Al  Al9  1  0.061912  0.774889  0.311621  1
  Al  Al10  1  0.795631  0.256409  0.333905  1
  Al  Al11  1  0.528242  0.114187  0.327941  1
  Al  Al12  1  0.283144  0.591875  0.349534  1
  Al  Al13  1  0.805747  0.895781  0.361773  1
  Al  Al14  1  0.561088  0.381635  0.382732  1
  Al  Al15  1  0.542695  0.738503  0.355033  1
  Al  Al16  1  0.314813  0.217214  0.375514  1
  Al  Al17  1  0.045440  0.073243  0.369646  1
  Al  Al18  1  0.809351  0.553643  0.389575  1
  Al  Al19  1  0.318814  0.866790  0.404218  1
  Al  Al20  1  0.080080  0.345709  0.424928  1
  Al  Al21  1  0.072365  0.696633  0.397302  1
  Al  Al22  1  0.832263  0.176881  0.417709  1
  Al  Al23  1  0.569543  0.033437  0.411347  1
  Al  Al24  1  0.329674  0.513200  0.432149  1
  Al  Al25  1  0.839937  0.826051  0.445703  1
  Al  Al26  1  0.599823  0.306505  0.466379  1
  Al  Al27  1  0.592650  0.657290  0.438226  1
  Al  Al28  1  0.351507  0.137777  0.459176  1
  Al  Al29  1  0.087996  0.993581  0.452935  1
  Al  Al30  1  0.847407  0.474026  0.473656  1
  Al  Al31  1  0.359730  0.785965  0.487339  1
  Al  Al32  1  0.119131  0.266625  0.508068  1
  Al  Al33  1  0.111066  0.617907  0.480011  1
  Al  Al34  1  0.871051  0.098293  0.500791  1
  Al  Al35  1  0.607810  0.954298  0.494616  1
  Al  Al36  1  0.367796  0.434683  0.515396  1
  Al  Al37  1  0.879039  0.746085  0.529028  1
  Al  Al38  1  0.638924  0.226540  0.549704  1
  Al  Al39  1  0.631454  0.578565  0.521751  1
  Al  Al40  1  0.390865  0.059009  0.542472  1
  Al  Al41  1  0.127354  0.914813  0.536231  1
  Al  Al42  1  0.886211  0.395301  0.557181  1
  Al  Al43  1  0.398781  0.706881  0.570479  1
  Al  Al44  1  0.160047  0.185800  0.591189  1
  Al  Al45  1  0.149188  0.539390  0.563258  1
  Al  Al46  1  0.909318  0.019154  0.584060  1
  Al  Al47  1  0.646598  0.875709  0.577699  1
  Al  Al48  1  0.406496  0.355958  0.598105  1
  Al  Al49  1  0.917773  0.670956  0.612675  1
  Al  Al50  1  0.673114  0.156810  0.633634  1
  Al  Al51  1  0.669510  0.498948  0.605832  1
  Al  Al52  1  0.433421  0.979348  0.625761  1
  Al  Al53  1  0.164049  0.835376  0.619893  1
  Al  Al54  1  0.936166  0.314088  0.640374  1
  Al  Al55  1  0.424818  0.642249  0.653825  1
  Al  Al56  1  0.208496  0.093280  0.672939  1
  Al  Al57  1  0.195717  0.460716  0.645873  1
  Al  Al58  1  0.950620  0.938403  0.667466  1
  Al  Al59  1  0.683231  0.796181  0.661502  1
  Al  Al60  1  0.416950  0.277701  0.683786  1
  Al  Al61  1  0.964640  0.550150  0.697873  1
  Al  Al62  1  0.723618  0.074816  0.719039  1
  Al  Al63  1  0.680671  0.419151  0.682153  1
  Al  Al64  1  0.483053  0.894116  0.710293  1
  Al  Al65  1  0.186674  0.756541  0.705340  1
  Al  Al66  1  0.987785  0.267721  0.715667  1
  Ni  Ni67  1  0.385434  0.048661  0.282233  1
  Ni  Ni68  1  0.154286  0.532976  0.303059  1
  Ni  Ni69  1  0.130632  0.918770  0.275937  1
  Ni  Ni70  1  0.896565  0.397063  0.296892  1
  Ni  Ni71  1  0.904810  0.015654  0.323169  1
  Ni  Ni72  1  0.671831  0.494944  0.344933  1
  Ni  Ni73  1  0.651782  0.875278  0.317999  1
  Ni  Ni74  1  0.419928  0.356270  0.336427  1
  Ni  Ni75  1  0.433556  0.978359  0.366134  1
  Ni  Ni76  1  0.190545  0.456901  0.386498  1
  Ni  Ni77  1  0.169904  0.832806  0.359450  1
  Ni  Ni78  1  0.931097  0.311395  0.380396  1
  Ni  Ni79  1  0.948877  0.937624  0.406924  1
  Ni  Ni80  1  0.710188  0.418297  0.427572  1
  Ni  Ni81  1  0.689172  0.792353  0.400982  1
  Ni  Ni82  1  0.450028  0.272778  0.421649  1
  Ni  Ni83  1  0.470053  0.898179  0.448884  1
  Ni  Ni84  1  0.229785  0.378588  0.469625  1
  Ni  Ni85  1  0.210614  0.752912  0.442649  1
  Ni  Ni86  1  0.969891  0.233188  0.463347  1
  Ni  Ni87  1  0.989479  0.858607  0.490504  1
  Ni  Ni88  1  0.749226  0.339154  0.511239  1
  Ni  Ni89  1  0.729636  0.713437  0.484168  1
  Ni  Ni90  1  0.489383  0.193983  0.504903  1
  Ni  Ni91  1  0.508971  0.819402  0.532060  1
  Ni  Ni92  1  0.268248  0.299679  0.552758  1
  Ni  Ni93  1  0.249077  0.674003  0.525782  1
  Ni  Ni94  1  0.008809  0.154412  0.546524  1
  Ni  Ni95  1  0.028833  0.779812  0.573758  1
  Ni  Ni96  1  0.789689  0.260238  0.594425  1
  Ni  Ni97  1  0.768674  0.634293  0.567835  1
  Ni  Ni98  1  0.529984  0.114966  0.588483  1
  Ni  Ni99  1  0.547765  0.741195  0.615012  1
  Ni  Ni100  1  0.308958  0.219784  0.635957  1
  Ni  Ni101  1  0.288316  0.595690  0.608909  1
  Ni  Ni102  1  0.045305  0.074232  0.629273  1
  Ni  Ni103  1  0.058934  0.696320  0.658980  1
  Ni  Ni104  1  0.827079  0.177312  0.677408  1
  Ni  Ni105  1  0.807031  0.557646  0.650474  1
  Ni  Ni106  1  0.574052  0.036936  0.672238  1
  Ni  Ni107  1  0.582297  0.655528  0.698515  1
  Ni  Ni108  1  0.348229  0.133821  0.719471  1
  Ni  Ni109  1  0.324576  0.519615  0.692348  1
  Ni  Ni110  1  0.093427  0.003930  0.713174  1
