# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94270454
_cell_length_b   14.31105378
_cell_length_c   50.14929210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.95207007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2802.42715614
_cell_formula_units_Z   18
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  0.829822  0.650497  0.290150  1
  Al  Al2  1  0.249660  0.490260  0.345374  1
  Al  Al3  1  0.540859  0.072400  0.318338  1
  Al  Al4  1  0.246498  0.484181  0.289751  1
  Al  Al5  1  0.678502  0.347561  0.330372  1
  Al  Al6  1  0.970038  0.930709  0.306709  1
  Al  Al7  1  0.818009  0.626906  0.350979  1
  Al  Al8  1  0.110944  0.212474  0.327740  1
  Al  Al9  1  0.400956  0.792682  0.301767  1
  Al  Al10  1  0.950481  0.891718  0.364232  1
  Al  Al11  1  0.363717  0.718255  0.413143  1
  Al  Al12  1  0.655035  0.300906  0.387840  1
  Al  Al13  1  0.380961  0.752590  0.355833  1
  Al  Al14  1  0.792954  0.576696  0.403671  1
  Al  Al15  1  0.086176  0.163081  0.379679  1
  Al  Al16  1  0.933957  0.858799  0.421962  1
  Al  Al17  1  0.226639  0.444314  0.399226  1
  Al  Al18  1  0.521249  0.033376  0.374029  1
  Al  Al19  1  0.068886  0.128589  0.436664  1
  Al  Al20  1  0.480890  0.952602  0.484329  1
  Al  Al21  1  0.774783  0.540426  0.460463  1
  Al  Al22  1  0.498509  0.987706  0.427394  1
  Al  Al23  1  0.910573  0.811871  0.475155  1
  Al  Al24  1  0.204137  0.399005  0.451473  1
  Al  Al25  1  0.051279  0.093496  0.493626  1
  Al  Al26  1  0.345397  0.681737  0.469830  1
  Al  Al27  1  0.639392  0.269704  0.445575  1
  Al  Al28  1  0.186729  0.364313  0.508189  1
  Al  Al29  1  0.598733  0.188326  0.555853  1
  Al  Al30  1  0.892836  0.776489  0.532055  1
  Al  Al31  1  0.616340  0.223419  0.498891  1
  Al  Al32  1  0.028227  0.047211  0.546943  1
  Al  Al33  1  0.322222  0.635177  0.522687  1
  Al  Al34  1  0.169110  0.329209  0.565123  1
  Al  Al35  1  0.463482  0.917910  0.541044  1
  Al  Al36  1  0.757046  0.505044  0.517363  1
  Al  Al37  1  0.303902  0.598660  0.579375  1
  Al  Al38  1  0.717138  0.425197  0.628286  1
  Al  Al39  1  0.012584  0.016009  0.604677  1
  Al  Al40  1  0.733662  0.458116  0.570556  1
  Al  Al41  1  0.146370  0.283539  0.618488  1
  Al  Al42  1  0.440980  0.872601  0.593292  1
  Al  Al43  1  0.286658  0.564325  0.636685  1
  Al  Al44  1  0.581443  0.153834  0.612839  1
  Al  Al45  1  0.874665  0.740219  0.588846  1
  Al  Al46  1  0.417959  0.826655  0.647144  1
  Al  Al47  1  0.837797  0.666418  0.702368  1
  Al  Al48  1  0.126760  0.244515  0.674180  1
  Al  Al49  1  0.849610  0.690009  0.641538  1
  Al  Al50  1  0.266663  0.524233  0.690750  1
  Al  Al51  1  0.556675  0.104441  0.664778  1
  Al  Al52  1  0.421121  0.832733  0.702766  1
  Al  Al53  1  0.697581  0.386206  0.685809  1
  Al  Al54  1  0.989117  0.969354  0.662145  1
  Ni  Ni55  1  0.320680  0.632157  0.320000  1
  Ni  Ni56  1  0.616284  0.222965  0.295961  1
  Ni  Ni57  1  0.027353  0.045445  0.344096  1
  Ni  Ni58  1  0.759044  0.509129  0.317334  1
  Ni  Ni59  1  0.055330  0.101336  0.290966  1
  Ni  Ni60  1  0.462455  0.915662  0.337651  1
  Ni  Ni61  1  0.439927  0.870612  0.391608  1
  Ni  Ni62  1  0.733048  0.457043  0.369298  1
  Ni  Ni63  1  0.145113  0.281043  0.415522  1
  Ni  Ni64  1  0.875218  0.741234  0.386498  1
  Ni  Ni65  1  0.169653  0.330112  0.362223  1
  Ni  Ni66  1  0.579964  0.150750  0.409886  1
  Ni  Ni67  1  0.557443  0.105710  0.463363  1
  Ni  Ni68  1  0.851695  0.694226  0.439697  1
  Ni  Ni69  1  0.263281  0.517418  0.487198  1
  Ni  Ni70  1  0.992471  0.975751  0.457660  1
  Ni  Ni71  1  0.286749  0.564364  0.433918  1
  Ni  Ni72  1  0.698171  0.387188  0.481431  1
  Ni  Ni73  1  0.675148  0.341164  0.534858  1
  Ni  Ni74  1  0.969448  0.929727  0.511087  1
  Ni  Ni75  1  0.380870  0.752551  0.558600  1
  Ni  Ni76  1  0.110176  0.211204  0.529154  1
  Ni  Ni77  1  0.404338  0.799497  0.505320  1
  Ni  Ni78  1  0.815924  0.622689  0.552820  1
  Ni  Ni79  1  0.792401  0.575681  0.606020  1
  Ni  Ni80  1  0.087655  0.166165  0.582631  1
  Ni  Ni81  1  0.497966  0.986803  0.630294  1
  Ni  Ni82  1  0.227692  0.446303  0.600909  1
  Ni  Ni83  1  0.522506  0.035872  0.576995  1
  Ni  Ni84  1  0.934571  0.859872  0.623219  1
  Ni  Ni85  1  0.908575  0.807786  0.675183  1
  Ni  Ni86  1  0.205164  0.401253  0.654867  1
  Ni  Ni87  1  0.612289  0.215579  0.701552  1
  Ni  Ni88  1  0.346939  0.684758  0.672517  1
  Ni  Ni89  1  0.640266  0.271470  0.648421  1
  Ni  Ni90  1  0.051335  0.093950  0.696556  1
