# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39647544
_cell_length_b   12.29336537
_cell_length_c   53.36469722
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al96 Ni32'
_cell_volume   4196.29079185
_cell_formula_units_Z   32
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  0.037508  0.552568  0.380295  1
  Al  Al2  1  0.016207  0.867266  0.327563  1
  Al  Al3  1  0.175370  0.108627  0.317100  1
  Al  Al4  1  0.188462  0.788124  0.374097  1
  Al  Al5  1  0.185875  0.330014  0.385301  1
  Al  Al6  1  0.196821  0.647200  0.330485  1
  Al  Al7  1  0.339633  0.304844  0.299894  1
  Al  Al8  1  0.315725  0.990476  0.357821  1
  Al  Al9  1  0.737782  0.192702  0.304937  1
  Al  Al10  1  0.672910  0.865351  0.360623  1
  Al  Al11  1  0.830935  0.528834  0.332684  1
  Al  Al12  1  0.849345  0.845709  0.278604  1
  Al  Al13  1  0.694650  0.403590  0.371807  1
  Al  Al14  1  0.666428  0.726549  0.317088  1
  Al  Al15  1  0.845488  0.395017  0.287284  1
  Al  Al16  1  0.828707  0.063383  0.345372  1
  Al  Al17  1  0.342029  0.447202  0.345818  1
  Al  Al18  1  0.299831  0.787956  0.290357  1
  Al  Al19  1  0.536459  0.642014  0.365264  1
  Al  Al20  1  0.536061  0.960070  0.312171  1
  Al  Al21  1  0.995544  0.311342  0.336719  1
  Al  Al22  1  0.970877  0.620406  0.286184  1
  Al  Al23  1  0.485028  0.210735  0.350482  1
  Al  Al24  1  0.487340  0.527693  0.298729  1
  Al  Al25  1  0.032533  0.914676  0.492418  1
  Al  Al26  1  0.027715  0.230909  0.436729  1
  Al  Al27  1  0.184731  0.470137  0.429005  1
  Al  Al28  1  0.186701  0.151507  0.485058  1
  Al  Al29  1  0.185674  0.691828  0.497130  1
  Al  Al30  1  0.186614  0.009695  0.441221  1
  Al  Al31  1  0.331660  0.668131  0.413711  1
  Al  Al32  1  0.325594  0.350831  0.469064  1
  Al  Al33  1  0.692539  0.546474  0.415785  1
  Al  Al34  1  0.682817  0.227814  0.471662  1
  Al  Al35  1  0.827185  0.888114  0.443846  1
  Al  Al36  1  0.827771  0.204482  0.387638  1
  Al  Al37  1  0.688307  0.767688  0.483881  1
  Al  Al38  1  0.681727  0.086605  0.427855  1
  Al  Al39  1  0.827618  0.746158  0.399982  1
  Al  Al40  1  0.827813  0.426166  0.455924  1
  Al  Al41  1  0.329936  0.811024  0.457286  1
  Al  Al42  1  0.321755  0.130646  0.400881  1
  Al  Al43  1  0.531592  0.005637  0.476283  1
  Al  Al44  1  0.530472  0.324341  0.420230  1
  Al  Al45  1  0.984793  0.665863  0.448339  1
  Al  Al46  1  0.975826  0.981057  0.393072  1
  Al  Al47  1  0.483542  0.572778  0.464485  1
  Al  Al48  1  0.481184  0.891491  0.409092  1
  Al  Al49  1  0.037949  0.279166  0.603624  1
  Al  Al50  1  0.028983  0.594360  0.548357  1
  Al  Al51  1  0.185962  0.834057  0.540772  1
  Al  Al52  1  0.186157  0.514065  0.596714  1
  Al  Al53  1  0.186005  0.055742  0.609058  1
  Al  Al54  1  0.186591  0.372110  0.552850  1
  Al  Al55  1  0.330959  0.032409  0.525034  1
  Al  Al56  1  0.321237  0.713749  0.580911  1
  Al  Al57  1  0.688181  0.909392  0.527632  1
  Al  Al58  1  0.682116  0.592092  0.582984  1
  Al  Al59  1  0.827162  0.250529  0.555475  1
  Al  Al60  1  0.828102  0.568395  0.499565  1
  Al  Al61  1  0.692021  0.129577  0.595815  1
  Al  Al62  1  0.683840  0.449199  0.539410  1
  Al  Al63  1  0.827075  0.108716  0.511638  1
  Al  Al64  1  0.829045  0.790086  0.567691  1
  Al  Al65  1  0.332049  0.173619  0.568841  1
  Al  Al66  1  0.325469  0.492535  0.512815  1
  Al  Al67  1  0.532592  0.368732  0.587604  1
  Al  Al68  1  0.530233  0.687445  0.532211  1
  Al  Al69  1  0.986061  0.029314  0.559967  1
  Al  Al70  1  0.981242  0.345548  0.504278  1
  Al  Al71  1  0.483303  0.935882  0.576466  1
  Al  Al72  1  0.482184  0.254586  0.520413  1
  Al  Al73  1  0.042898  0.639817  0.710512  1
  Al  Al74  1  0.018232  0.948882  0.659977  1
  Al  Al75  1  0.185069  0.196840  0.651324  1
  Al  Al76  1  0.168288  0.865206  0.709412  1
  Al  Al77  1  0.164431  0.414514  0.718092  1
  Al  Al78  1  0.182841  0.731389  0.664012  1
  Al  Al79  1  0.340866  0.394872  0.636073  1
  Al  Al80  1  0.275994  0.067522  0.691759  1
  Al  Al81  1  0.698051  0.269747  0.638875  1
  Al  Al82  1  0.674143  0.955379  0.696802  1
  Al  Al83  1  0.816955  0.613023  0.666211  1
  Al  Al84  1  0.827901  0.930209  0.611395  1
  Al  Al85  1  0.713944  0.472267  0.706339  1
  Al  Al86  1  0.671747  0.813022  0.650878  1
  Al  Al87  1  0.825314  0.472100  0.622599  1
  Al  Al88  1  0.838405  0.151597  0.679596  1
  Al  Al89  1  0.347348  0.533674  0.679608  1
  Al  Al90  1  0.319126  0.856633  0.624889  1
  Al  Al91  1  0.526435  0.732530  0.697967  1
  Al  Al92  1  0.528748  0.049489  0.646214  1
  Al  Al93  1  0.997569  0.392957  0.669133  1
  Al  Al94  1  0.976268  0.707655  0.616401  1
  Al  Al95  1  0.477715  0.300153  0.684525  1
  Al  Al96  1  0.477317  0.618209  0.631432  1
  Ni  Ni97  1  0.879886  0.013743  0.300539  1
  Ni  Ni98  1  0.889696  0.704719  0.353978  1
  Ni  Ni99  1  0.443940  0.113564  0.286415  1
  Ni  Ni100  1  0.374927  0.814784  0.335793  1
  Ni  Ni101  1  0.134139  0.469186  0.309289  1
  Ni  Ni102  1  0.127355  0.158066  0.362211  1
  Ni  Ni103  1  0.635816  0.364742  0.324944  1
  Ni  Ni104  1  0.618455  0.041867  0.382463  1
  Ni  Ni105  1  0.887876  0.380401  0.410372  1
  Ni  Ni106  1  0.888005  0.064698  0.465935  1
  Ni  Ni107  1  0.394511  0.491365  0.391280  1
  Ni  Ni108  1  0.385011  0.174977  0.446605  1
  Ni  Ni109  1  0.125548  0.831878  0.419369  1
  Ni  Ni110  1  0.125731  0.515571  0.474557  1
  Ni  Ni111  1  0.628361  0.723031  0.438342  1
  Ni  Ni112  1  0.624079  0.404570  0.493940  1
  Ni  Ni113  1  0.888044  0.744653  0.522139  1
  Ni  Ni114  1  0.888228  0.428346  0.577327  1
  Ni  Ni115  1  0.389697  0.855653  0.502756  1
  Ni  Ni116  1  0.385415  0.537193  0.558354  1
  Ni  Ni117  1  0.125771  0.195525  0.530761  1
  Ni  Ni118  1  0.125900  0.879823  0.586324  1
  Ni  Ni119  1  0.628765  0.085246  0.550091  1
  Ni  Ni120  1  0.619264  0.768858  0.605416  1
  Ni  Ni121  1  0.886420  0.102157  0.634485  1
  Ni  Ni122  1  0.879637  0.791038  0.687407  1
  Ni  Ni123  1  0.395320  0.218356  0.614232  1
  Ni  Ni124  1  0.377960  0.895481  0.671752  1
  Ni  Ni125  1  0.124080  0.555504  0.642718  1
  Ni  Ni126  1  0.133890  0.246480  0.696157  1
  Ni  Ni127  1  0.638849  0.445439  0.660903  1
  Ni  Ni128  1  0.569836  0.146659  0.710281  1
