# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85218455
_cell_length_b   15.17426836
_cell_length_c   47.51222647
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.08170709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4811.967423
_cell_formula_units_Z   33
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  0.759711  0.041081  0.273133  1
  Al  Al2  1  0.941241  0.370574  0.286311  1
  Al  Al3  1  0.130046  0.727828  0.300685  1
  Al  Al4  1  0.333986  0.913777  0.279805  1
  Al  Al5  1  0.551423  0.257010  0.284440  1
  Al  Al6  1  0.738832  0.589356  0.295924  1
  Al  Al7  1  0.143560  0.166865  0.278566  1
  Al  Al8  1  0.329057  0.492118  0.293466  1
  Al  Al9  1  0.524745  0.819257  0.314236  1
  Al  Al10  1  0.269825  0.044238  0.318924  1
  Al  Al11  1  0.434504  0.359255  0.332099  1
  Al  Al12  1  0.596700  0.674281  0.345227  1
  Al  Al13  1  0.906762  0.914352  0.310905  1
  Al  Al14  1  0.044955  0.241986  0.326905  1
  Al  Al15  1  0.208964  0.570354  0.339699  1
  Al  Al16  1  0.658545  0.144707  0.322350  1
  Al  Al17  1  0.823216  0.472842  0.335938  1
  Al  Al18  1  0.978523  0.799018  0.350780  1
  Al  Al19  1  0.755345  0.005065  0.358624  1
  Al  Al20  1  0.923994  0.339841  0.372563  1
  Al  Al21  1  0.085028  0.664980  0.386429  1
  Al  Al22  1  0.360113  0.898662  0.354008  1
  Al  Al23  1  0.533138  0.225333  0.367670  1
  Al  Al24  1  0.701312  0.552345  0.381538  1
  Al  Al25  1  0.144071  0.126694  0.364225  1
  Al  Al26  1  0.312826  0.454394  0.377333  1
  Al  Al27  1  0.477360  0.781590  0.390730  1
  Al  Al28  1  0.249055  0.994940  0.400950  1
  Al  Al29  1  0.414538  0.321946  0.414624  1
  Al  Al30  1  0.577862  0.648869  0.428505  1
  Al  Al31  1  0.860241  0.879344  0.396453  1
  Al  Al32  1  0.024161  0.206987  0.409857  1
  Al  Al33  1  0.188431  0.533982  0.423614  1
  Al  Al34  1  0.640448  0.108990  0.405574  1
  Al  Al35  1  0.804111  0.436287  0.419483  1
  Al  Al36  1  0.967964  0.763207  0.433351  1
  Al  Al37  1  0.740849  0.976357  0.442452  1
  Al  Al38  1  0.905053  0.303682  0.456163  1
  Al  Al39  1  0.069116  0.631234  0.470006  1
  Al  Al40  1  0.351879  0.861363  0.437418  1
  Al  Al41  1  0.515469  0.189080  0.451338  1
  Al  Al42  1  0.679102  0.516357  0.465241  1
  Al  Al43  1  0.130065  0.090749  0.447216  1
  Al  Al44  1  0.294322  0.418079  0.461073  1
  Al  Al45  1  0.457562  0.745487  0.474879  1
  Al  Al46  1  0.231948  0.958292  0.484114  1
  Al  Al47  1  0.395689  0.285643  0.497912  1
  Al  Al48  1  0.559430  0.612994  0.511710  1
  Al  Al49  1  0.841971  0.843576  0.479209  1
  Al  Al50  1  0.006086  0.171004  0.493047  1
  Al  Al51  1  0.169935  0.498362  0.506891  1
  Al  Al52  1  0.621443  0.072924  0.488933  1
  Al  Al53  1  0.785292  0.400281  0.502776  1
  Al  Al54  1  0.949408  0.727710  0.516615  1
  Al  Al55  1  0.722262  0.940052  0.525818  1
  Al  Al56  1  0.886325  0.267603  0.539661  1
  Al  Al57  1  0.050529  0.594928  0.553371  1
  Al  Al58  1  0.333816  0.825798  0.520944  1
  Al  Al59  1  0.497056  0.153207  0.534750  1
  Al  Al60  1  0.661314  0.480537  0.548607  1
  Al  Al61  1  0.112277  0.054928  0.530583  1
  Al  Al62  1  0.275910  0.382206  0.544485  1
  Al  Al63  1  0.439499  0.709923  0.558406  1
  Al  Al64  1  0.213517  0.922417  0.567319  1
  Al  Al65  1  0.376840  0.249339  0.581200  1
  Al  Al66  1  0.542324  0.576346  0.594874  1
  Al  Al67  1  0.823414  0.808079  0.562473  1
  Al  Al68  1  0.987268  0.134999  0.576340  1
  Al  Al69  1  0.150930  0.462296  0.590249  1
  Al  Al70  1  0.602947  0.037304  0.572210  1
  Al  Al71  1  0.767217  0.364298  0.585966  1
  Al  Al72  1  0.931137  0.691942  0.599370  1
  Al  Al73  1  0.706350  0.906306  0.609395  1
  Al  Al74  1  0.867384  0.231445  0.623260  1
  Al  Al75  1  0.036034  0.566220  0.637199  1
  Al  Al76  1  0.314018  0.789696  0.605093  1
  Al  Al77  1  0.478553  0.116892  0.618491  1
  Al  Al78  1  0.647308  0.444592  0.631598  1
  Al  Al79  1  0.090067  0.018941  0.614285  1
  Al  Al80  1  0.258240  0.345953  0.628153  1
  Al  Al81  1  0.431265  0.672624  0.641815  1
  Al  Al82  1  0.194678  0.897005  0.650597  1
  Al  Al83  1  0.356874  0.212031  0.663724  1
  Al  Al84  1  0.521553  0.527048  0.676899  1
  Al  Al85  1  0.812855  0.772268  0.645043  1
  Al  Al86  1  0.968163  0.098444  0.659885  1
  Al  Al87  1  0.132834  0.426578  0.673473  1
  Al  Al88  1  0.582414  1.000932  0.656125  1
  Al  Al89  1  0.746424  0.329300  0.668919  1
  Al  Al90  1  0.884616  0.656934  0.684918  1
  Al  Al91  1  0.661332  0.843457  0.695139  1
  Al  Al92  1  0.850138  0.200712  0.709513  1
  Al  Al93  1  0.031667  0.530205  0.722690  1
  Al  Al94  1  0.266633  0.752029  0.681588  1
  Al  Al95  1  0.462321  0.079168  0.702358  1
  Al  Al96  1  0.647818  0.404421  0.717257  1
  Al  Al97  1  0.052546  0.981930  0.699900  1
  Al  Al98  1  0.239955  0.314276  0.711383  1
  Al  Al99  1  0.457392  0.657509  0.716019  1
  Ni  Ni100  1  0.451413  0.091736  0.277621  1
  Ni  Ni101  1  0.628575  0.423322  0.292108  1
  Ni  Ni102  1  0.796360  0.750220  0.305751  1
  Ni  Ni103  1  0.088338  0.003954  0.273597  1
  Ni  Ni104  1  0.260775  0.327003  0.288595  1
  Ni  Ni105  1  0.424279  0.656503  0.301181  1
  Ni  Ni106  1  0.949174  0.078316  0.318818  1
  Ni  Ni107  1  0.120898  0.406264  0.332421  1
  Ni  Ni108  1  0.286573  0.732774  0.347500  1
  Ni  Ni109  1  0.577558  0.982711  0.315788  1
  Ni  Ni110  1  0.744297  0.308934  0.328635  1
  Ni  Ni111  1  0.917703  0.637848  0.341129  1
  Ni  Ni112  1  0.452982  0.062203  0.361868  1
  Ni  Ni113  1  0.616138  0.389467  0.375219  1
  Ni  Ni114  1  0.776943  0.715784  0.389013  1
  Ni  Ni115  1  0.067907  0.963393  0.357116  1
  Ni  Ni116  1  0.232478  0.290059  0.371055  1
  Ni  Ni117  1  0.395487  0.616618  0.384976  1
  Ni  Ni118  1  0.938608  0.043403  0.402664  1
  Ni  Ni119  1  0.105283  0.371116  0.416472  1
  Ni  Ni120  1  0.269136  0.698433  0.430169  1
  Ni  Ni121  1  0.556897  0.944433  0.398773  1
  Ni  Ni122  1  0.723226  0.272325  0.412292  1
  Ni  Ni123  1  0.886783  0.599319  0.426299  1
  Ni  Ni124  1  0.431898  0.025733  0.444560  1
  Ni  Ni125  1  0.596099  0.353114  0.458363  1
  Ni  Ni126  1  0.759701  0.680457  0.472208  1
  Ni  Ni127  1  0.050134  0.926615  0.440473  1
  Ni  Ni128  1  0.213991  0.254039  0.454157  1
  Ni  Ni129  1  0.377494  0.581351  0.468006  1
  Ni  Ni130  1  0.922688  0.007685  0.486207  1
  Ni  Ni131  1  0.086530  0.335077  0.500014  1
  Ni  Ni132  1  0.250682  0.662584  0.513834  1
  Ni  Ni133  1  0.540697  0.908702  0.481990  1
  Ni  Ni134  1  0.704848  0.236209  0.495810  1
  Ni  Ni135  1  0.868690  0.563600  0.509617  1
  Ni  Ni136  1  0.413885  0.989935  0.527818  1
  Ni  Ni137  1  0.577388  0.317247  0.541666  1
  Ni  Ni138  1  0.741244  0.644671  0.555351  1
  Ni  Ni139  1  0.031677  0.890829  0.523615  1
  Ni  Ni140  1  0.195279  0.218171  0.537461  1
  Ni  Ni141  1  0.359481  0.545553  0.551263  1
  Ni  Ni142  1  0.904596  0.971967  0.569524  1
  Ni  Ni143  1  0.068152  0.298960  0.583531  1
  Ni  Ni144  1  0.234482  0.626852  0.597051  1
  Ni  Ni145  1  0.522242  0.872852  0.565654  1
  Ni  Ni146  1  0.686095  0.200170  0.579351  1
  Ni  Ni147  1  0.852770  0.527883  0.593160  1
  Ni  Ni148  1  0.395892  0.954668  0.610847  1
  Ni  Ni149  1  0.558901  0.281226  0.624769  1
  Ni  Ni150  1  0.723471  0.607893  0.638707  1
  Ni  Ni151  1  0.014436  0.855501  0.606811  1
  Ni  Ni152  1  0.175241  0.181819  0.620605  1
  Ni  Ni153  1  0.338397  0.509083  0.633956  1
  Ni  Ni154  1  0.873675  0.933438  0.654694  1
  Ni  Ni155  1  0.047082  0.262352  0.667189  1
  Ni  Ni156  1  0.213820  0.588574  0.680036  1
  Ni  Ni157  1  0.504805  0.838512  0.648323  1
  Ni  Ni158  1  0.670480  0.165022  0.663403  1
  Ni  Ni159  1  0.842205  0.492970  0.677006  1
  Ni  Ni160  1  0.367099  0.914782  0.694642  1
  Ni  Ni161  1  0.530604  0.244283  0.707229  1
  Ni  Ni162  1  0.703040  0.567332  0.722226  1
  Ni  Ni163  1  0.995018  0.821066  0.690073  1
  Ni  Ni164  1  0.162804  0.147964  0.703715  1
  Ni  Ni165  1  0.339965  0.479550  0.718202  1
