# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99240157
_cell_length_b   14.51100370
_cell_length_c   46.94365187
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.95492283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2693.45175058
_cell_formula_units_Z   18
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  0.835695  0.661863  0.320980  1
  Al  Al2  1  0.129753  0.249528  0.294043  1
  Al  Al3  1  0.430706  0.851908  0.272236  1
  Al  Al4  1  0.268801  0.527931  0.311397  1
  Al  Al5  1  0.558664  0.107439  0.286285  1
  Al  Al6  1  0.971695  0.933706  0.337364  1
  Al  Al7  1  0.698545  0.387308  0.306535  1
  Al  Al8  1  0.992869  0.976042  0.282067  1
  Al  Al9  1  0.406887  0.804370  0.331791  1
  Al  Al10  1  0.954252  0.898916  0.398492  1
  Al  Al11  1  0.246978  0.484376  0.371224  1
  Al  Al12  1  0.540370  0.071022  0.345951  1
  Al  Al13  1  0.383809  0.757933  0.388643  1
  Al  Al14  1  0.677653  0.345557  0.362235  1
  Al  Al15  1  0.090043  0.170374  0.414048  1
  Al  Al16  1  0.818188  0.626969  0.381996  1
  Al  Al17  1  0.112516  0.215336  0.356180  1
  Al  Al18  1  0.524547  0.039550  0.407986  1
  Al  Al19  1  0.071954  0.134347  0.475336  1
  Al  Al20  1  0.365955  0.722346  0.449733  1
  Al  Al21  1  0.660262  0.310926  0.423761  1
  Al  Al22  1  0.501847  0.994019  0.465538  1
  Al  Al23  1  0.795619  0.581552  0.439693  1
  Al  Al24  1  0.207728  0.405824  0.491225  1
  Al  Al25  1  0.935958  0.862460  0.459547  1
  Al  Al26  1  0.230323  0.451165  0.433280  1
  Al  Al27  1  0.642121  0.274790  0.485104  1
  Al  Al28  1  0.189550  0.369625  0.552455  1
  Al  Al29  1  0.483487  0.957417  0.526792  1
  Al  Al30  1  0.777743  0.545949  0.501089  1
  Al  Al31  1  0.619514  0.229464  0.542579  1
  Al  Al32  1  0.913344  0.817012  0.517045  1
  Al  Al33  1  0.325123  0.640649  0.568929  1
  Al  Al34  1  0.053603  0.097804  0.536580  1
  Al  Al35  1  0.347734  0.686025  0.510952  1
  Al  Al36  1  0.759873  0.510355  0.562496  1
  Al  Al37  1  0.308433  0.607420  0.631035  1
  Al  Al38  1  0.601193  0.193008  0.603560  1
  Al  Al39  1  0.895195  0.780826  0.578417  1
  Al  Al40  1  0.737067  0.464715  0.620241  1
  Al  Al41  1  0.030964  0.052177  0.594052  1
  Al  Al42  1  0.443298  0.876692  0.645983  1
  Al  Al43  1  0.171532  0.333738  0.613636  1
  Al  Al44  1  0.465426  0.921400  0.588101  1
  Al  Al45  1  0.877956  0.746402  0.639961  1
  Al  Al46  1  0.426768  0.843690  0.708211  1
  Al  Al47  1  0.719412  0.429727  0.680753  1
  Al  Al48  1  0.015484  0.021127  0.656037  1
  Al  Al49  1  0.857376  0.705128  0.695533  1
  Al  Al50  1  0.147490  0.286405  0.670180  1
  Al  Al51  1  0.566310  0.119503  0.719011  1
  Al  Al52  1  0.286383  0.563458  0.690834  1
  Al  Al53  1  0.583942  0.158983  0.664157  1
  Al  Al54  1  0.997945  0.985207  0.715416  1
  Ni  Ni55  1  0.208758  0.407617  0.275661  1
  Ni  Ni56  1  0.617539  0.225201  0.324529  1
  Ni  Ni57  1  0.911517  0.813554  0.299834  1
  Ni  Ni58  1  0.759502  0.509391  0.343310  1
  Ni  Ni59  1  0.053983  0.098157  0.318208  1
  Ni  Ni60  1  0.351101  0.692653  0.292399  1
  Ni  Ni61  1  0.325056  0.640624  0.350371  1
  Ni  Ni62  1  0.736690  0.463818  0.400879  1
  Ni  Ni63  1  0.031010  0.052353  0.375700  1
  Ni  Ni64  1  0.877293  0.744980  0.420715  1
  Ni  Ni65  1  0.171372  0.333095  0.394680  1
  Ni  Ni66  1  0.465466  0.921303  0.369734  1
  Ni  Ni67  1  0.442660  0.875780  0.427303  1
  Ni  Ni68  1  0.854254  0.698988  0.478590  1
  Ni  Ni69  1  0.148708  0.287869  0.452784  1
  Ni  Ni70  1  0.995129  0.980661  0.497808  1
  Ni  Ni71  1  0.289163  0.568739  0.472001  1
  Ni  Ni72  1  0.583562  0.157510  0.446349  1
  Ni  Ni73  1  0.560320  0.111134  0.504328  1
  Ni  Ni74  1  0.971862  0.934201  0.555774  1
  Ni  Ni75  1  0.266323  0.523161  0.530175  1
  Ni  Ni76  1  0.112796  0.216142  0.574807  1
  Ni  Ni77  1  0.406759  0.803917  0.549384  1
  Ni  Ni78  1  0.701221  0.392910  0.523576  1
  Ni  Ni79  1  0.678190  0.346962  0.581465  1
  Ni  Ni80  1  0.089807  0.170377  0.632112  1
  Ni  Ni81  1  0.384130  0.758716  0.607522  1
  Ni  Ni82  1  0.230144  0.451052  0.651764  1
  Ni  Ni83  1  0.524684  0.039600  0.626388  1
  Ni  Ni84  1  0.818727  0.627960  0.601358  1
  Ni  Ni85  1  0.795913  0.582452  0.658941  1
  Ni  Ni86  1  0.203161  0.397406  0.709181  1
  Ni  Ni87  1  0.502207  0.994315  0.683703  1
  Ni  Ni88  1  0.347210  0.684923  0.726262  1
  Ni  Ni89  1  0.643639  0.279091  0.702647  1
  Ni  Ni90  1  0.938545  0.867241  0.677589  1
