# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13439109
_cell_length_b   9.67372567
_cell_length_c   50.48469022
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.75471562
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al84 Ni28'
_cell_volume   3289.54478257
_cell_formula_units_Z   28
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  0.254779  0.481114  0.327817  1
  Al  Al2  1  1.000726  0.763485  0.273052  1
  Al  Al3  1  0.822055  0.250511  0.316646  1
  Al  Al4  1  0.296547  0.757371  0.312407  1
  Al  Al5  1  0.474268  0.671195  0.263857  1
  Al  Al6  1  0.843373  0.397830  0.266675  1
  Al  Al7  1  0.173823  0.290057  0.294853  1
  Al  Al8  1  0.651383  0.795082  0.298452  1
  Al  Al9  1  0.545066  0.274864  0.274265  1
  Al  Al10  1  0.610594  0.515463  0.307956  1
  Al  Al11  1  0.452709  0.020954  0.268476  1
  Al  Al12  1  0.051134  0.037626  0.279598  1
  Al  Al13  1  0.897448  0.345361  0.387443  1
  Al  Al14  1  0.612074  0.674231  0.350474  1
  Al  Al15  1  0.429816  0.104112  0.386595  1
  Al  Al16  1  0.939120  0.612134  0.383867  1
  Al  Al17  1  0.951068  0.717798  0.334415  1
  Al  Al18  1  0.479585  0.212856  0.330406  1
  Al  Al19  1  0.761840  0.148063  0.368221  1
  Al  Al20  1  0.272983  0.658833  0.366427  1
  Al  Al21  1  0.138191  0.184277  0.348458  1
  Al  Al22  1  0.268817  0.376072  0.375493  1
  Al  Al23  1  0.011788  0.971241  0.331690  1
  Al  Al24  1  0.637909  0.940653  0.345684  1
  Al  Al25  1  0.523216  0.191513  0.454603  1
  Al  Al26  1  0.244238  0.518427  0.419535  1
  Al  Al27  1  0.049492  0.952198  0.453250  1
  Al  Al28  1  0.565226  0.458295  0.450673  1
  Al  Al29  1  0.577414  0.556775  0.400399  1
  Al  Al30  1  0.093306  0.064613  0.398134  1
  Al  Al31  1  0.384107  0.993378  0.435458  1
  Al  Al32  1  0.897905  0.498992  0.432680  1
  Al  Al33  1  0.758961  0.022542  0.416413  1
  Al  Al34  1  0.887897  0.225811  0.439677  1
  Al  Al35  1  0.619418  0.822581  0.397257  1
  Al  Al36  1  0.255153  0.790481  0.412134  1
  Al  Al37  1  0.145138  0.037495  0.520888  1
  Al  Al38  1  0.867157  0.362205  0.485390  1
  Al  Al39  1  0.672918  0.798270  0.519813  1
  Al  Al40  1  0.187254  0.304264  0.517221  1
  Al  Al41  1  0.201905  0.403076  0.467842  1
  Al  Al42  1  0.716241  0.909071  0.465250  1
  Al  Al43  1  0.007135  0.838688  0.502172  1
  Al  Al44  1  0.522002  0.345136  0.499673  1
  Al  Al45  1  0.382023  0.868652  0.482891  1
  Al  Al46  1  0.510138  0.071929  0.506601  1
  Al  Al47  1  0.244021  0.669846  0.464175  1
  Al  Al48  1  0.879021  0.635412  0.478462  1
  Al  Al49  1  0.769741  0.884759  0.587807  1
  Al  Al50  1  0.491254  0.208348  0.552383  1
  Al  Al51  1  0.295853  0.642727  0.586929  1
  Al  Al52  1  0.811744  0.150566  0.584664  1
  Al  Al53  1  0.823932  0.249046  0.534390  1
  Al  Al54  1  0.339667  0.755142  0.531813  1
  Al  Al55  1  0.630198  0.684798  0.568650  1
  Al  Al56  1  0.144921  0.188914  0.565528  1
  Al  Al57  1  1.005052  0.713962  0.549605  1
  Al  Al58  1  0.134006  0.916860  0.572929  1
  Al  Al59  1  0.865942  0.515828  0.530460  1
  Al  Al60  1  0.501262  0.481530  0.545386  1
  Al  Al61  1  0.377371  0.736100  0.653373  1
  Al  Al62  1  0.116176  0.048507  0.618636  1
  Al  Al63  1  0.909574  0.494484  0.654658  1
  Al  Al64  1  0.438091  0.989543  0.650648  1
  Al  Al65  1  0.450038  0.095207  0.601196  1
  Al  Al66  1  0.959343  0.603228  0.598468  1
  Al  Al67  1  0.250968  0.523064  0.636605  1
  Al  Al68  1  0.777085  0.033109  0.634589  1
  Al  Al69  1  0.627319  0.559278  0.616842  1
  Al  Al70  1  0.751250  0.766688  0.639379  1
  Al  Al71  1  0.491711  0.361980  0.597620  1
  Al  Al72  1  0.120342  0.331269  0.609570  1
  Al  Al73  1  0.936450  0.686386  0.716587  1
  Al  Al74  1  0.737776  0.912258  0.686611  1
  Al  Al75  1  0.545786  0.309511  0.718388  1
  Al  Al76  1  0.914891  0.036145  0.721206  1
  Al  Al77  1  0.092612  0.949970  0.672656  1
  Al  Al78  1  0.567104  0.456830  0.668417  1
  Al  Al79  1  0.844093  0.432476  0.710799  1
  Al  Al80  1  0.388433  0.943856  0.712011  1
  Al  Al81  1  0.215336  0.417283  0.690211  1
  Al  Al82  1  0.338025  0.669714  0.705465  1
  Al  Al83  1  0.134379  0.226226  0.657246  1
  Al  Al84  1  0.778565  0.191877  0.677107  1
  Ni  Ni85  1  0.944045  0.555292  0.297042  1
  Ni  Ni86  1  0.282341  0.526357  0.281850  1
  Ni  Ni87  1  0.717020  0.032616  0.300035  1
  Ni  Ni88  1  0.342719  0.009998  0.314397  1
  Ni  Ni89  1  0.591477  0.415483  0.355506  1
  Ni  Ni90  1  0.917919  0.452526  0.340796  1
  Ni  Ni91  1  0.310598  0.907442  0.361833  1
  Ni  Ni92  1  0.958731  0.869702  0.378708  1
  Ni  Ni93  1  0.214887  0.263946  0.423432  1
  Ni  Ni94  1  0.562614  0.300211  0.407249  1
  Ni  Ni95  1  0.927939  0.751869  0.428273  1
  Ni  Ni96  1  0.584528  0.714079  0.444800  1
  Ni  Ni97  1  0.836758  0.109559  0.490073  1
  Ni  Ni98  1  0.181254  0.147293  0.473467  1
  Ni  Ni99  1  0.552401  0.597781  0.494990  1
  Ni  Ni100  1  0.207905  0.560048  0.511596  1
  Ni  Ni101  1  0.461220  0.955471  0.556790  1
  Ni  Ni102  1  0.804630  0.993262  0.540263  1
  Ni  Ni103  1  0.174272  0.443395  0.561631  1
  Ni  Ni104  1  0.826545  0.407129  0.577814  1
  Ni  Ni105  1  0.078561  0.799899  0.623230  1
  Ni  Ni106  1  0.430428  0.837639  0.606355  1
  Ni  Ni107  1  0.797682  0.291858  0.629557  1
  Ni  Ni108  1  0.471240  0.254815  0.644267  1
  Ni  Ni109  1  0.672139  0.674724  0.685028  1
  Ni  Ni110  1  0.046440  0.697342  0.670666  1
  Ni  Ni111  1  0.445114  0.152049  0.688021  1
  Ni  Ni112  1  0.106818  0.180984  0.703213  1
