# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85419900
_cell_length_b   15.41079846
_cell_length_c   48.27302310
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.97268619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4968.8744819
_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  0.672995  0.902505  0.269792  1
  Al  Al2  1  0.850486  0.206086  0.275802  1
  Al  Al3  1  0.017443  0.541135  0.288186  1
  Al  Al4  1  0.469351  0.092352  0.272756  1
  Al  Al5  1  0.634241  0.422830  0.286879  1
  Al  Al6  1  0.810166  0.751583  0.298943  1
  Al  Al7  1  0.062482  1.001500  0.270884  1
  Al  Al8  1  0.228791  0.326922  0.283190  1
  Al  Al9  1  0.399301  0.656929  0.296195  1
  Al  Al10  1  0.194399  0.862158  0.299071  1
  Al  Al11  1  0.345469  0.217620  0.325443  1
  Al  Al12  1  0.505908  0.524209  0.337877  1
  Al  Al13  1  0.930887  0.079752  0.319745  1
  Al  Al14  1  0.116415  0.404923  0.331842  1
  Al  Al15  1  0.287475  0.733270  0.344561  1
  Al  Al16  1  0.574609  0.983197  0.313245  1
  Al  Al17  1  0.725226  0.313867  0.327710  1
  Al  Al18  1  0.893216  0.641082  0.341216  1
  Al  Al19  1  0.678113  0.857604  0.351325  1
  Al  Al20  1  0.831472  0.175727  0.362976  1
  Al  Al21  1  0.996376  0.507066  0.376033  1
  Al  Al22  1  0.452465  0.061727  0.360016  1
  Al  Al23  1  0.611524  0.392238  0.372030  1
  Al  Al24  1  0.776926  0.720177  0.384891  1
  Al  Al25  1  0.054965  0.965601  0.357285  1
  Al  Al26  1  0.213913  0.292963  0.369036  1
  Al  Al27  1  0.380362  0.621169  0.381365  1
  Al  Al28  1  0.159108  0.832343  0.389341  1
  Al  Al29  1  0.318834  0.158518  0.405603  1
  Al  Al30  1  0.485793  0.488979  0.419412  1
  Al  Al31  1  0.935171  0.045156  0.400968  1
  Al  Al32  1  0.097491  0.371743  0.414523  1
  Al  Al33  1  0.263002  0.699369  0.428015  1
  Al  Al34  1  0.541986  0.948534  0.395590  1
  Al  Al35  1  0.710870  0.278399  0.411073  1
  Al  Al36  1  0.874204  0.605884  0.424325  1
  Al  Al37  1  0.644778  0.812037  0.433651  1
  Al  Al38  1  0.812998  0.144072  0.447580  1
  Al  Al39  1  0.976464  0.471754  0.460572  1
  Al  Al40  1  0.425758  0.026691  0.442120  1
  Al  Al41  1  0.588871  0.355339  0.455695  1
  Al  Al42  1  0.752721  0.682821  0.469522  1
  Al  Al43  1  0.037408  0.931899  0.439121  1
  Al  Al44  1  0.199011  0.259062  0.452123  1
  Al  Al45  1  0.361644  0.586763  0.465585  1
  Al  Al46  1  0.138564  0.798493  0.474271  1
  Al  Al47  1  0.302910  0.125920  0.488979  1
  Al  Al48  1  0.465707  0.452706  0.502361  1
  Al  Al49  1  0.913855  0.009211  0.484180  1
  Al  Al50  1  0.079163  0.337036  0.497701  1
  Al  Al51  1  0.243413  0.664684  0.512256  1
  Al  Al52  1  0.524724  0.914087  0.479192  1
  Al  Al53  1  0.689593  0.241773  0.493666  1
  Al  Al54  1  0.854853  0.569545  0.507169  1
  Al  Al55  1  0.629500  0.780399  0.517237  1
  Al  Al56  1  0.792225  0.107002  0.530793  1
  Al  Al57  1  0.956072  0.434864  0.543847  1
  Al  Al58  1  0.406748  0.992039  0.525793  1
  Al  Al59  1  0.570077  0.319782  0.539298  1
  Al  Al60  1  0.730556  0.646918  0.552280  1
  Al  Al61  1  0.014746  0.895773  0.521964  1
  Al  Al62  1  0.180150  0.223483  0.535656  1
  Al  Al63  1  0.342804  0.552149  0.549292  1
  Al  Al64  1  0.122426  0.766561  0.557720  1
  Al  Al65  1  0.283097  0.089655  0.571925  1
  Al  Al66  1  0.450643  0.420385  0.585680  1
  Al  Al67  1  0.894448  0.972772  0.567097  1
  Al  Al68  1  0.058601  0.300466  0.580325  1
  Al  Al69  1  0.226822  0.630118  0.596212  1
  Al  Al70  1  0.505205  0.879465  0.563353  1
  Al  Al71  1  0.671980  0.207187  0.576761  1
  Al  Al72  1  0.834721  0.533836  0.590209  1
  Al  Al73  1  0.606188  0.744544  0.602357  1
  Al  Al74  1  0.773382  0.071817  0.615257  1
  Al  Al75  1  0.939907  0.403163  0.628448  1
  Al  Al76  1  0.388718  0.957561  0.610010  1
  Al  Al77  1  0.556298  0.285833  0.622366  1
  Al  Al78  1  0.711503  0.613078  0.633828  1
  Al  Al79  1  0.991120  0.858486  0.606531  1
  Al  Al80  1  0.158233  0.186571  0.619266  1
  Al  Al81  1  0.314695  0.516890  0.631918  1
  Al  Al82  1  0.092728  0.720855  0.639973  1
  Al  Al83  1  0.264350  0.054914  0.653399  1
  Al  Al84  1  0.426502  0.362763  0.665772  1
  Al  Al85  1  0.876013  0.937354  0.650166  1
  Al  Al86  1  0.046859  0.265364  0.663724  1
  Al  Al87  1  0.197355  0.598476  0.683376  1
  Al  Al88  1  0.481760  0.844646  0.646585  1
  Al  Al89  1  0.654500  0.173933  0.659354  1
  Al  Al90  1  0.845410  0.500825  0.670511  1
  Al  Al91  1  0.577277  0.715579  0.692265  1
  Al  Al92  1  0.752870  0.036895  0.703017  1
  Al  Al93  1  0.923748  0.367622  0.715417  1
  Al  Al94  1  0.370984  0.921948  0.694653  1
  Al  Al95  1  0.544861  0.250837  0.708035  1
  Al  Al96  1  0.734552  0.574846  0.718778  1
  Al  Al97  1  0.960985  0.826215  0.691998  1
  Al  Al98  1  0.136789  0.155135  0.704401  1
  Al  Al99  1  0.314284  0.483018  0.719037  1
  Ni  Ni100  1  0.258581  0.037974  0.316042  1
  Ni  Ni101  1  0.532736  0.256046  0.284384  1
  Ni  Ni102  1  0.697185  0.586904  0.298716  1
  Ni  Ni103  1  0.172877  0.158141  0.284539  1
  Ni  Ni104  1  0.333861  0.488313  0.295235  1
  Ni  Ni105  1  0.510917  0.816348  0.308692  1
  Ni  Ni106  1  0.888256  0.918209  0.311637  1
  Ni  Ni107  1  0.014188  0.244612  0.322191  1
  Ni  Ni108  1  0.189284  0.571918  0.335037  1
  Ni  Ni109  1  0.631655  0.148080  0.318941  1
  Ni  Ni110  1  0.821579  0.477143  0.331302  1
  Ni  Ni111  1  0.988935  0.804456  0.343720  1
  Ni  Ni112  1  0.348693  0.899774  0.348137  1
  Ni  Ni113  1  0.527203  0.228732  0.367716  1
  Ni  Ni114  1  0.688523  0.557879  0.380565  1
  Ni  Ni115  1  0.147755  0.127138  0.361023  1
  Ni  Ni116  1  0.303675  0.454421  0.376104  1
  Ni  Ni117  1  0.470787  0.782570  0.389218  1
  Ni  Ni118  1  0.848301  0.883174  0.395696  1
  Ni  Ni119  1  0.008839  0.210188  0.407509  1
  Ni  Ni120  1  0.173648  0.538131  0.420508  1
  Ni  Ni121  1  0.635430  0.111831  0.403928  1
  Ni  Ni122  1  0.798707  0.440509  0.416488  1
  Ni  Ni123  1  0.962108  0.767291  0.430044  1
  Ni  Ni124  1  0.336338  0.865060  0.434163  1
  Ni  Ni125  1  0.500718  0.192952  0.449257  1
  Ni  Ni126  1  0.665302  0.521163  0.463011  1
  Ni  Ni127  1  0.122415  0.093182  0.445469  1
  Ni  Ni128  1  0.285617  0.420776  0.458740  1
  Ni  Ni129  1  0.447887  0.747612  0.473409  1
  Ni  Ni130  1  0.826438  0.847664  0.477370  1
  Ni  Ni131  1  0.991836  0.175317  0.491319  1
  Ni  Ni132  1  0.156268  0.503275  0.504519  1
  Ni  Ni133  1  0.612519  0.075511  0.486861  1
  Ni  Ni134  1  0.777048  0.403476  0.500084  1
  Ni  Ni135  1  0.941286  0.731003  0.514025  1
  Ni  Ni136  1  0.320032  0.831175  0.518054  1
  Ni  Ni137  1  0.483128  0.158043  0.532602  1
  Ni  Ni138  1  0.646412  0.485694  0.545819  1
  Ni  Ni139  1  0.103209  0.057550  0.528353  1
  Ni  Ni140  1  0.268137  0.385855  0.542096  1
  Ni  Ni141  1  0.431042  0.713643  0.557339  1
  Ni  Ni142  1  0.804695  0.811159  0.561641  1
  Ni  Ni143  1  0.970579  0.138328  0.574823  1
  Ni  Ni144  1  0.134635  0.467120  0.587507  1
  Ni  Ni145  1  0.595322  0.040685  0.570853  1
  Ni  Ni146  1  0.760876  0.368736  0.583947  1
  Ni  Ni147  1  0.919855  0.695730  0.595777  1
  Ni  Ni148  1  0.297242  0.796423  0.602009  1
  Ni  Ni149  1  0.466106  0.124440  0.615147  1
  Ni  Ni150  1  0.622599  0.451902  0.630049  1
  Ni  Ni151  1  0.080782  0.020791  0.610819  1
  Ni  Ni152  1  0.243512  0.349995  0.623604  1
  Ni  Ni153  1  0.416639  0.676595  0.644471  1
  Ni  Ni154  1  0.779651  0.773922  0.647436  1
  Ni  Ni155  1  0.948576  0.101735  0.659973  1
  Ni  Ni156  1  0.140832  0.432045  0.672901  1
  Ni  Ni157  1  0.580578  0.006591  0.656104  1
  Ni  Ni158  1  0.757365  0.334619  0.669007  1
  Ni  Ni159  1  0.884002  0.661479  0.678963  1
  Ni  Ni160  1  0.258137  0.762127  0.682876  1
  Ni  Ni161  1  0.437285  0.090046  0.695970  1
  Ni  Ni162  1  0.606794  0.419548  0.706302  1
  Ni  Ni163  1  0.072841  0.991504  0.692425  1
  Ni  Ni164  1  0.243474  0.321258  0.706825  1
  Ni  Ni165  1  0.513289  0.540578  0.675405  1
