# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.26333432
_cell_length_b   6.27615784
_cell_length_c   49.80502640
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.07640236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4009.86967897
_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  0.151257  0.957998  0.293336  1
  Al  Al2  1  0.421598  0.934294  0.318297  1
  Al  Al3  1  0.844864  0.144136  0.282889  1
  Al  Al4  1  0.340068  0.561203  0.308303  1
  Al  Al5  1  0.766115  0.645827  0.281468  1
  Al  Al6  1  0.044179  0.702378  0.285803  1
  Al  Al7  1  0.221440  0.300432  0.301315  1
  Al  Al8  1  0.526850  0.211524  0.321127  1
  Al  Al9  1  0.980073  0.364734  0.289698  1
  Al  Al10  1  0.005579  0.688954  0.344016  1
  Al  Al11  1  0.286436  0.634698  0.363347  1
  Al  Al12  1  0.711931  0.819760  0.332272  1
  Al  Al13  1  0.198561  0.313721  0.356188  1
  Al  Al14  1  0.630337  0.488441  0.320568  1
  Al  Al15  1  0.900539  0.409747  0.339190  1
  Al  Al16  1  0.092534  0.039366  0.352792  1
  Al  Al17  1  0.378124  0.946062  0.371146  1
  Al  Al18  1  0.807200  0.115855  0.337785  1
  Al  Al19  1  0.858240  0.456539  0.396526  1
  Al  Al20  1  0.142764  0.376101  0.412968  1
  Al  Al21  1  0.573621  0.535496  0.379941  1
  Al  Al22  1  0.050201  0.059176  0.406642  1
  Al  Al23  1  0.478232  0.228547  0.373469  1
  Al  Al24  1  0.765196  0.141854  0.390815  1
  Al  Al25  1  0.951543  0.777323  0.402985  1
  Al  Al26  1  0.233891  0.694594  0.419536  1
  Al  Al27  1  0.665729  0.861306  0.387334  1
  Al  Al28  1  0.713869  0.205280  0.446949  1
  Al  Al29  1  0.999165  0.121547  0.463486  1
  Al  Al30  1  0.427935  0.289759  0.430208  1
  Al  Al31  1  0.906732  0.803382  0.456969  1
  Al  Al32  1  0.335205  0.973390  0.423987  1
  Al  Al33  1  0.621206  0.887077  0.440718  1
  Al  Al34  1  0.806826  0.522394  0.453265  1
  Al  Al35  1  0.091505  0.438391  0.469840  1
  Al  Al36  1  0.520857  0.607789  0.436524  1
  Al  Al37  1  0.570012  0.950951  0.496802  1
  Al  Al38  1  0.856138  0.864494  0.513537  1
  Al  Al39  1  0.283887  0.037407  0.480067  1
  Al  Al40  1  0.763414  0.548025  0.507117  1
  Al  Al41  1  0.191789  0.719828  0.473513  1
  Al  Al42  1  0.477262  0.633687  0.490361  1
  Al  Al43  1  0.662763  0.268214  0.503243  1
  Al  Al44  1  0.948236  0.182074  0.520091  1
  Al  Al45  1  0.376611  0.353877  0.486488  1
  Al  Al46  1  0.426156  0.696622  0.546655  1
  Al  Al47  1  0.712089  0.612143  0.563396  1
  Al  Al48  1  0.140859  0.780355  0.530118  1
  Al  Al49  1  0.619168  0.294113  0.557081  1
  Al  Al50  1  0.048520  0.463511  0.523764  1
  Al  Al51  1  0.333199  0.379508  0.540340  1
  Al  Al52  1  0.518819  0.014825  0.552887  1
  Al  Al53  1  0.804819  0.928511  0.569617  1
  Al  Al54  1  0.233293  0.098520  0.536636  1
  Al  Al55  1  0.281784  0.445363  0.597078  1
  Al  Al56  1  0.566404  0.366405  0.613664  1
  Al  Al57  1  0.997261  0.525800  0.580636  1
  Al  Al58  1  0.474296  0.040595  0.606271  1
  Al  Al59  1  0.906134  0.207308  0.574068  1
  Al  Al60  1  0.188482  0.124579  0.590620  1
  Al  Al61  1  0.374829  0.760048  0.602789  1
  Al  Al62  1  0.661793  0.673355  0.620135  1
  Al  Al63  1  0.089824  0.842725  0.586962  1
  Al  Al64  1  0.134446  0.212948  0.649588  1
  Al  Al65  1  0.428094  0.082142  0.661333  1
  Al  Al66  1  0.853589  0.267204  0.630258  1
  Al  Al67  1  0.332825  0.786046  0.655820  1
  Al  Al68  1  0.761900  0.955839  0.622458  1
  Al  Al69  1  0.047491  0.862535  0.640813  1
  Al  Al70  1  0.239486  0.492155  0.654414  1
  Al  Al71  1  0.509688  0.413460  0.673036  1
  Al  Al72  1  0.941464  0.588181  0.637416  1
  Al  Al73  1  0.988768  0.943904  0.700269  1
  Al  Al74  1  0.295161  0.757765  0.710715  1
  Al  Al75  1  0.718427  0.967608  0.675307  1
  Al  Al76  1  0.159952  0.537167  0.703907  1
  Al  Al77  1  0.613175  0.690377  0.672477  1
  Al  Al78  1  0.918585  0.601470  0.692289  1
  Al  Al79  1  0.095846  0.199523  0.707801  1
  Al  Al80  1  0.373910  0.256074  0.712137  1
  Al  Al81  1  0.799957  0.340699  0.685301  1
  Ni  Ni82  1  0.407900  0.196310  0.282273  1
  Ni  Ni83  1  0.693821  0.092348  0.297010  1
  Ni  Ni84  1  0.981023  0.028545  0.317207  1
  Ni  Ni85  1  0.326440  0.901807  0.280210  1
  Ni  Ni86  1  0.584028  0.851327  0.295174  1
  Ni  Ni87  1  0.877352  0.765137  0.309906  1
  Ni  Ni88  1  0.261894  0.944455  0.331781  1
  Ni  Ni89  1  0.552740  0.851872  0.350152  1
  Ni  Ni90  1  0.839449  0.769863  0.365885  1
  Ni  Ni91  1  0.165250  0.667292  0.327437  1
  Ni  Ni92  1  0.453220  0.581806  0.344850  1
  Ni  Ni93  1  0.735131  0.491466  0.361587  1
  Ni  Ni94  1  0.120120  0.688317  0.381083  1
  Ni  Ni95  1  0.407251  0.599816  0.399040  1
  Ni  Ni96  1  0.692761  0.515625  0.415630  1
  Ni  Ni97  1  0.022289  0.405011  0.377709  1
  Ni  Ni98  1  0.307326  0.322032  0.394784  1
  Ni  Ni99  1  0.592784  0.232848  0.411774  1
  Ni  Ni100  1  0.978109  0.431978  0.431956  1
  Ni  Ni101  1  0.262540  0.348541  0.448626  1
  Ni  Ni102  1  0.548700  0.261968  0.465521  1
  Ni  Ni103  1  0.879068  0.148854  0.428253  1
  Ni  Ni104  1  0.163388  0.066013  0.444591  1
  Ni  Ni105  1  0.449147  0.979646  0.461561  1
  Ni  Ni106  1  0.834659  0.176245  0.482229  1
  Ni  Ni107  1  0.119534  0.092230  0.498825  1
  Ni  Ni108  1  0.404739  0.007764  0.515350  1
  Ni  Ni109  1  0.735286  0.894137  0.478255  1
  Ni  Ni110  1  0.020491  0.809672  0.494780  1
  Ni  Ni111  1  0.305366  0.725656  0.511375  1
  Ni  Ni112  1  0.690878  0.922256  0.532044  1
  Ni  Ni113  1  0.976637  0.835889  0.549013  1
  Ni  Ni114  1  0.260956  0.753048  0.565352  1
  Ni  Ni115  1  0.591325  0.639934  0.528083  1
  Ni  Ni116  1  0.877485  0.553360  0.544979  1
  Ni  Ni117  1  0.161916  0.469924  0.561648  1
  Ni  Ni118  1  0.547241  0.669054  0.581830  1
  Ni  Ni119  1  0.832699  0.579870  0.598821  1
  Ni  Ni120  1  0.117735  0.496891  0.615896  1
  Ni  Ni121  1  0.447264  0.386276  0.577974  1
  Ni  Ni122  1  0.732774  0.302085  0.594565  1
  Ni  Ni123  1  0.019905  0.213584  0.612521  1
  Ni  Ni124  1  0.404894  0.410435  0.632017  1
  Ni  Ni125  1  0.686805  0.320096  0.648754  1
  Ni  Ni126  1  0.974775  0.234610  0.666167  1
  Ni  Ni127  1  0.300576  0.132039  0.627719  1
  Ni  Ni128  1  0.587285  0.050030  0.643452  1
  Ni  Ni129  1  0.878131  0.957447  0.661824  1
  Ni  Ni130  1  0.262673  0.136765  0.683699  1
  Ni  Ni131  1  0.555997  0.050575  0.698431  1
  Ni  Ni132  1  0.813585  1.000095  0.713394  1
  Ni  Ni133  1  0.159002  0.873357  0.676397  1
  Ni  Ni134  1  0.446204  0.809553  0.696594  1
  Ni  Ni135  1  0.732125  0.705592  0.711332  1
