# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92624341
_cell_length_b   14.44765031
_cell_length_c   46.44919158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3305.91168882
_cell_formula_units_Z   21
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  0.933580  0.672850  0.323985  1
  Al  Al2  1  0.050981  0.395522  0.301826  1
  Al  Al3  1  0.026249  0.127239  0.283458  1
  Al  Al4  1  0.371408  0.598255  0.298679  1
  Al  Al5  1  0.358950  0.089141  0.333111  1
  Al  Al6  1  0.346970  0.808175  0.310311  1
  Al  Al7  1  0.646600  0.509980  0.339783  1
  Al  Al8  1  0.663788  0.245831  0.315547  1
  Al  Al9  1  0.650539  0.981172  0.298249  1
  Al  Al10  1  0.004658  0.476317  0.386385  1
  Al  Al11  1  0.997714  0.207608  0.366882  1
  Al  Al12  1  1.003244  0.939850  0.346941  1
  Al  Al13  1  0.357415  0.360478  0.352418  1
  Al  Al14  1  0.346375  0.899464  0.394180  1
  Al  Al15  1  0.345198  0.631179  0.370742  1
  Al  Al16  1  0.658272  0.324135  0.400095  1
  Al  Al17  1  0.656508  0.054929  0.380293  1
  Al  Al18  1  0.643810  0.788556  0.359784  1
  Al  Al19  1  0.003495  0.285832  0.450072  1
  Al  Al20  1  1.001825  0.015957  0.429540  1
  Al  Al21  1  1.001758  0.746421  0.407936  1
  Al  Al22  1  0.352155  0.170110  0.415662  1
  Al  Al23  1  0.348516  0.706614  0.456813  1
  Al  Al24  1  0.350943  0.438500  0.436038  1
  Al  Al25  1  0.655135  0.132118  0.464235  1
  Al  Al26  1  0.652315  0.862173  0.443282  1
  Al  Al27  1  0.651586  0.593085  0.421340  1
  Al  Al28  1  1.003103  0.093289  0.512981  1
  Al  Al29  1  1.002506  0.822915  0.491749  1
  Al  Al30  1  1.002503  0.553909  0.470556  1
  Al  Al31  1  0.350350  0.977047  0.478000  1
  Al  Al32  1  0.350695  0.515009  0.520264  1
  Al  Al33  1  0.351925  0.246791  0.499319  1
  Al  Al34  1  0.655210  0.939178  0.526701  1
  Al  Al35  1  0.653725  0.669515  0.505409  1
  Al  Al36  1  0.655444  0.401329  0.484446  1
  Al  Al37  1  0.004531  0.900285  0.575150  1
  Al  Al38  1  1.002439  0.630602  0.554708  1
  Al  Al39  1  1.003209  0.362380  0.534150  1
  Al  Al40  1  0.350301  0.784111  0.540550  1
  Al  Al41  1  0.354145  0.323227  0.583289  1
  Al  Al42  1  0.352913  0.053973  0.561494  1
  Al  Al43  1  0.653012  0.746151  0.589145  1
  Al  Al44  1  0.655267  0.477902  0.568718  1
  Al  Al45  1  0.656938  0.209472  0.547884  1
  Al  Al46  1  0.007786  0.708757  0.637907  1
  Al  Al47  1  1.000777  0.439857  0.618170  1
  Al  Al48  1  0.003896  0.169568  0.596779  1
  Al  Al49  1  0.348041  0.592367  0.604640  1
  Al  Al50  1  0.361793  0.127131  0.644959  1
  Al  Al51  1  0.348197  0.861266  0.624997  1
  Al  Al52  1  0.649349  0.556463  0.652305  1
  Al  Al53  1  0.660274  0.284882  0.633876  1
  Al  Al54  1  0.658472  0.016488  0.610561  1
  Al  Al55  1  0.953147  0.519971  0.702352  1
  Al  Al56  1  0.071248  0.244004  0.680606  1
  Al  Al57  1  0.996102  0.976225  0.657641  1
  Al  Al58  1  0.359447  0.406625  0.664811  1
  Al  Al59  1  0.365385  0.939163  0.703581  1
  Al  Al60  1  0.346265  0.669027  0.687840  1
  Al  Al61  1  0.634476  0.318650  0.705940  1
  Al  Al62  1  0.659289  0.107399  0.694346  1
  Al  Al63  1  0.646699  0.825595  0.671051  1
  Ni  Ni64  1  0.857268  0.546807  0.292172  1
  Ni  Ni65  1  0.858749  0.093323  0.331924  1
  Ni  Ni66  1  0.846100  0.830906  0.311505  1
  Ni  Ni67  1  0.142905  0.515884  0.337959  1
  Ni  Ni68  1  0.165582  0.240769  0.319638  1
  Ni  Ni69  1  0.154293  0.970651  0.299297  1
  Ni  Ni70  1  0.860084  0.360322  0.350713  1
  Ni  Ni71  1  0.845454  0.900711  0.394862  1
  Ni  Ni72  1  0.844857  0.631216  0.373297  1
  Ni  Ni73  1  0.158599  0.323399  0.401110  1
  Ni  Ni74  1  0.156917  0.054853  0.381216  1
  Ni  Ni75  1  0.143575  0.783439  0.358868  1
  Ni  Ni76  1  0.850697  0.170154  0.415538  1
  Ni  Ni77  1  0.848062  0.707794  0.456680  1
  Ni  Ni78  1  0.850124  0.439186  0.435356  1
  Ni  Ni79  1  0.155726  0.131678  0.464323  1
  Ni  Ni80  1  0.153316  0.861300  0.443068  1
  Ni  Ni81  1  0.153694  0.592096  0.421320  1
  Ni  Ni82  1  0.849825  0.977621  0.478140  1
  Ni  Ni83  1  0.850103  0.515815  0.519616  1
  Ni  Ni84  1  0.851468  0.247666  0.498990  1
  Ni  Ni85  1  0.155795  0.938611  0.526559  1
  Ni  Ni86  1  0.154199  0.668604  0.505750  1
  Ni  Ni87  1  0.156046  0.400558  0.485126  1
  Ni  Ni88  1  0.849639  0.784580  0.540419  1
  Ni  Ni89  1  0.852012  0.323963  0.583326  1
  Ni  Ni90  1  0.851874  0.054822  0.561661  1
  Ni  Ni91  1  0.154899  0.746343  0.589334  1
  Ni  Ni92  1  0.156158  0.477219  0.569304  1
  Ni  Ni93  1  0.157383  0.208392  0.548037  1
  Ni  Ni94  1  0.847704  0.593074  0.603686  1
  Ni  Ni95  1  0.861832  0.132806  0.645840  1
  Ni  Ni96  1  0.848142  0.861199  0.623282  1
  Ni  Ni97  1  0.145798  0.555525  0.653642  1
  Ni  Ni98  1  0.160940  0.284987  0.631310  1
  Ni  Ni99  1  0.159693  0.015135  0.609962  1
  Ni  Ni100  1  0.862641  0.400359  0.666495  1
  Ni  Ni101  1  0.862743  0.941677  0.705470  1
  Ni  Ni102  1  0.847337  0.676815  0.685713  1
  Ni  Ni103  1  0.148894  0.369916  0.712436  1
  Ni  Ni104  1  0.157739  0.086484  0.692875  1
  Ni  Ni105  1  0.143067  0.822022  0.673598  1
