# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88465736
_cell_length_b   17.22038792
_cell_length_c   47.70060699
_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   'Al81 Ni54'
_cell_volume   4012.369686
_cell_formula_units_Z   27
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  0.507792  0.193382  0.303508  1
  Al  Al2  1  0.574566  0.988141  0.273096  1
  Al  Al3  1  0.498920  0.590821  0.287864  1
  Al  Al4  1  0.860207  0.931846  0.321226  1
  Al  Al5  1  0.854860  0.720078  0.285083  1
  Al  Al6  1  0.852972  0.323484  0.300779  1
  Al  Al7  1  0.149060  0.065254  0.307790  1
  Al  Al8  1  0.152656  0.864176  0.278213  1
  Al  Al9  1  0.148566  0.462278  0.295030  1
  Al  Al10  1  0.465971  0.010722  0.357954  1
  Al  Al11  1  0.492970  0.801694  0.325558  1
  Al  Al12  1  0.500727  0.405656  0.341059  1
  Al  Al13  1  0.848337  0.747026  0.368471  1
  Al  Al14  1  0.850679  0.537269  0.335330  1
  Al  Al15  1  0.853235  0.140518  0.351784  1
  Al  Al16  1  0.151278  0.878408  0.363779  1
  Al  Al17  1  0.150446  0.669724  0.329942  1
  Al  Al18  1  0.150221  0.274388  0.345852  1
  Al  Al19  1  0.502604  0.826294  0.407848  1
  Al  Al20  1  0.501408  0.615664  0.373769  1
  Al  Al21  1  0.498694  0.220588  0.389838  1
  Al  Al22  1  0.851202  0.562329  0.418302  1
  Al  Al23  1  0.848712  0.351541  0.384482  1
  Al  Al24  1  0.850222  0.958918  0.402039  1
  Al  Al25  1  0.149125  0.695091  0.413081  1
  Al  Al26  1  0.151603  0.484731  0.379000  1
  Al  Al27  1  0.149794  0.091440  0.395896  1
  Al  Al28  1  0.500376  0.641924  0.457216  1
  Al  Al29  1  0.500209  0.431344  0.423705  1
  Al  Al30  1  0.500932  0.037549  0.440787  1
  Al  Al31  1  0.849748  0.378074  0.468073  1
  Al  Al32  1  0.849650  0.167820  0.434952  1
  Al  Al33  1  0.849849  0.773191  0.451915  1
  Al  Al34  1  0.150508  0.510820  0.462563  1
  Al  Al35  1  0.148678  0.300497  0.429058  1
  Al  Al36  1  0.149579  0.905711  0.446541  1
  Al  Al37  1  0.500338  0.457609  0.506930  1
  Al  Al38  1  0.501165  0.247308  0.473643  1
  Al  Al39  1  0.501136  0.852832  0.490784  1
  Al  Al40  1  0.850938  0.193914  0.518531  1
  Al  Al41  1  0.851197  0.984200  0.485386  1
  Al  Al42  1  0.850964  0.588837  0.501487  1
  Al  Al43  1  0.150243  0.326449  0.512351  1
  Al  Al44  1  0.150746  0.116706  0.479227  1
  Al  Al45  1  0.150232  0.721534  0.496214  1
  Al  Al46  1  0.501314  0.273076  0.557029  1
  Al  Al47  1  0.500336  0.063342  0.524083  1
  Al  Al48  1  0.500898  0.668440  0.540478  1
  Al  Al49  1  0.852820  0.010176  0.568589  1
  Al  Al50  1  0.850716  0.799627  0.535112  1
  Al  Al51  1  0.851452  0.404634  0.551292  1
  Al  Al52  1  0.151735  0.142896  0.562805  1
  Al  Al53  1  0.151556  0.932317  0.529616  1
  Al  Al54  1  0.151319  0.537192  0.545811  1
  Al  Al55  1  0.500399  0.089816  0.607761  1
  Al  Al56  1  0.501385  0.879086  0.573937  1
  Al  Al57  1  0.500410  0.484129  0.589885  1
  Al  Al58  1  0.849777  0.825741  0.618596  1
  Al  Al59  1  0.851777  0.615260  0.584678  1
  Al  Al60  1  0.851687  0.219155  0.602077  1
  Al  Al61  1  0.153063  0.958730  0.613118  1
  Al  Al62  1  0.150031  0.747959  0.579356  1
  Al  Al63  1  0.150843  0.351659  0.595640  1
  Al  Al64  1  0.501563  0.904856  0.656464  1
  Al  Al65  1  0.500704  0.694719  0.623902  1
  Al  Al66  1  0.524406  0.299465  0.640099  1
  Al  Al67  1  0.850710  0.640726  0.667767  1
  Al  Al68  1  0.850248  0.432010  0.634055  1
  Al  Al69  1  0.852946  0.036314  0.651596  1
  Al  Al70  1  0.150322  0.773488  0.662256  1
  Al  Al71  1  0.152279  0.563645  0.629154  1
  Al  Al72  1  0.152480  0.170523  0.646366  1
  Al  Al73  1  0.497554  0.720612  0.709806  1
  Al  Al74  1  0.497876  0.509035  0.672322  1
  Al  Al75  1  0.500654  0.116472  0.693836  1
  Al  Al76  1  0.852906  0.452589  0.717737  1
  Al  Al77  1  0.854165  0.244301  0.687827  1
  Al  Al78  1  0.853343  0.848025  0.702683  1
  Al  Al79  1  0.148930  0.590493  0.712728  1
  Al  Al80  1  0.145622  0.377971  0.676682  1
  Al  Al81  1  0.149495  0.987605  0.696840  1
  Ni  Ni82  1  0.358378  0.934235  0.318069  1
  Ni  Ni83  1  0.350488  0.727855  0.286034  1
  Ni  Ni84  1  0.351350  0.329677  0.302001  1
  Ni  Ni85  1  0.653154  0.061513  0.315464  1
  Ni  Ni86  1  0.654837  0.851218  0.282105  1
  Ni  Ni87  1  0.649966  0.456529  0.296972  1
  Ni  Ni88  1  0.347686  0.747132  0.369202  1
  Ni  Ni89  1  0.351954  0.538326  0.334394  1
  Ni  Ni90  1  0.349980  0.143291  0.349921  1
  Ni  Ni91  1  0.650739  0.880230  0.363961  1
  Ni  Ni92  1  0.648864  0.668447  0.329237  1
  Ni  Ni93  1  0.649314  0.272098  0.345202  1
  Ni  Ni94  1  0.349633  0.563176  0.418166  1
  Ni  Ni95  1  0.347553  0.352555  0.384898  1
  Ni  Ni96  1  0.348079  0.958104  0.402623  1
  Ni  Ni97  1  0.651022  0.694222  0.412903  1
  Ni  Ni98  1  0.652992  0.484103  0.379539  1
  Ni  Ni99  1  0.650039  0.089195  0.395958  1
  Ni  Ni100  1  0.348514  0.378872  0.468030  1
  Ni  Ni101  1  0.348903  0.169036  0.434696  1
  Ni  Ni102  1  0.348588  0.773815  0.451967  1
  Ni  Ni103  1  0.651763  0.510093  0.462617  1
  Ni  Ni104  1  0.650086  0.299412  0.428993  1
  Ni  Ni105  1  0.651654  0.905610  0.446518  1
  Ni  Ni106  1  0.349526  0.194839  0.518179  1
  Ni  Ni107  1  0.349820  0.984764  0.485202  1
  Ni  Ni108  1  0.349606  0.589547  0.501524  1
  Ni  Ni109  1  0.651641  0.325786  0.512550  1
  Ni  Ni110  1  0.652176  0.115855  0.479590  1
  Ni  Ni111  1  0.651550  0.720831  0.496176  1
  Ni  Ni112  1  0.351267  0.011038  0.568621  1
  Ni  Ni113  1  0.349461  0.800293  0.535065  1
  Ni  Ni114  1  0.349636  0.404897  0.551239  1
  Ni  Ni115  1  0.652722  0.141628  0.563071  1
  Ni  Ni116  1  0.652820  0.931663  0.529653  1
  Ni  Ni117  1  0.652687  0.536589  0.545744  1
  Ni  Ni118  1  0.348498  0.826246  0.618066  1
  Ni  Ni119  1  0.350149  0.616117  0.584797  1
  Ni  Ni120  1  0.351046  0.221258  0.601822  1
  Ni  Ni121  1  0.654260  0.958012  0.612677  1
  Ni  Ni122  1  0.651609  0.747198  0.579490  1
  Ni  Ni123  1  0.652951  0.352106  0.595415  1
  Ni  Ni124  1  0.351807  0.642456  0.668437  1
  Ni  Ni125  1  0.350145  0.430516  0.633663  1
  Ni  Ni126  1  0.353344  0.038411  0.652389  1
  Ni  Ni127  1  0.649280  0.772225  0.663266  1
  Ni  Ni128  1  0.652953  0.563078  0.628721  1
  Ni  Ni129  1  0.652711  0.167116  0.647373  1
  Ni  Ni130  1  0.354132  0.454898  0.716109  1
  Ni  Ni131  1  0.354805  0.250463  0.684460  1
  Ni  Ni132  1  0.351470  0.854641  0.700548  1
  Ni  Ni133  1  0.649806  0.584459  0.711403  1
  Ni  Ni134  1  0.646563  0.376883  0.679334  1
  Ni  Ni135  1  0.651798  0.980452  0.695471  1
