# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30590481
_cell_length_b   15.93655168
_cell_length_c   53.99033101
_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   'Al144 Ni48'
_cell_volume   6286.14442561
_cell_formula_units_Z   48
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  0.756450  0.677010  0.364721  1
  Al  Al2  1  0.756450  0.958229  0.329187  1
  Al  Al3  1  0.756450  0.237588  0.294975  1
  Al  Al4  1  0.560841  0.787819  0.331231  1
  Al  Al5  1  0.557885  0.071717  0.292696  1
  Al  Al6  1  0.561706  0.506764  0.367054  1
  Al  Al7  1  0.952060  0.787819  0.331231  1
  Al  Al8  1  0.955016  0.071717  0.292696  1
  Al  Al9  1  0.951195  0.506764  0.367054  1
  Al  Al10  1  0.453076  0.622921  0.332937  1
  Al  Al11  1  0.449768  0.903611  0.295781  1
  Al  Al12  1  0.450781  0.343651  0.371430  1
  Al  Al13  1  0.556777  0.636626  0.283861  1
  Al  Al14  1  0.562868  0.076705  0.359525  1
  Al  Al15  1  0.559493  0.359038  0.323277  1
  Al  Al16  1  0.058667  0.465907  0.286125  1
  Al  Al17  1  0.062179  0.914591  0.361611  1
  Al  Al18  1  0.059104  0.193768  0.326591  1
  Al  Al19  1  0.956124  0.636626  0.283861  1
  Al  Al20  1  0.950033  0.076705  0.359525  1
  Al  Al21  1  0.953408  0.359038  0.323277  1
  Al  Al22  1  0.454234  0.465907  0.286125  1
  Al  Al23  1  0.450722  0.914591  0.361611  1
  Al  Al24  1  0.453797  0.193768  0.326591  1
  Al  Al25  1  0.059825  0.622921  0.332937  1
  Al  Al26  1  0.063133  0.903611  0.295781  1
  Al  Al27  1  0.062120  0.343651  0.371430  1
  Al  Al28  1  0.756450  0.514910  0.319753  1
  Al  Al29  1  0.756450  0.793074  0.286807  1
  Al  Al30  1  0.756450  0.233846  0.358227  1
  Al  Al31  1  0.256450  0.744374  0.363178  1
  Al  Al32  1  0.256450  0.025483  0.327014  1
  Al  Al33  1  0.256450  0.299417  0.292246  1
  Al  Al34  1  0.256450  0.739384  0.300655  1
  Al  Al35  1  0.256450  0.185872  0.372496  1
  Al  Al36  1  0.256450  0.466030  0.333294  1
  Al  Al37  1  0.756450  0.840885  0.476964  1
  Al  Al38  1  0.756450  0.119431  0.440214  1
  Al  Al39  1  0.756450  0.399494  0.403072  1
  Al  Al40  1  0.561804  0.949857  0.442423  1
  Al  Al41  1  0.562116  0.228426  0.405606  1
  Al  Al42  1  0.561793  0.672250  0.479099  1
  Al  Al43  1  0.951097  0.949857  0.442423  1
  Al  Al44  1  0.950785  0.228426  0.405606  1
  Al  Al45  1  0.951108  0.672250  0.479099  1
  Al  Al46  1  0.450406  0.786770  0.444477  1
  Al  Al47  1  0.450526  0.065032  0.408046  1
  Al  Al48  1  0.450652  0.508831  0.481695  1
  Al  Al49  1  0.562205  0.797991  0.395751  1
  Al  Al50  1  0.561830  0.241269  0.470293  1
  Al  Al51  1  0.562074  0.520993  0.432926  1
  Al  Al52  1  0.061601  0.634533  0.397855  1
  Al  Al53  1  0.061634  0.077557  0.473099  1
  Al  Al54  1  0.061406  0.357423  0.435959  1
  Al  Al55  1  0.950696  0.797991  0.395751  1
  Al  Al56  1  0.951071  0.241269  0.470293  1
  Al  Al57  1  0.950827  0.520993  0.432926  1
  Al  Al58  1  0.451300  0.634533  0.397855  1
  Al  Al59  1  0.451267  0.077557  0.473099  1
  Al  Al60  1  0.451495  0.357423  0.435959  1
  Al  Al61  1  0.062495  0.786770  0.444477  1
  Al  Al62  1  0.062375  0.065032  0.408046  1
  Al  Al63  1  0.062249  0.508831  0.481695  1
  Al  Al64  1  0.756450  0.677658  0.431789  1
  Al  Al65  1  0.756450  0.955957  0.395448  1
  Al  Al66  1  0.756450  0.399645  0.469379  1
  Al  Al67  1  0.256450  0.907420  0.475428  1
  Al  Al68  1  0.256450  0.186320  0.438405  1
  Al  Al69  1  0.256450  0.466415  0.400814  1
  Al  Al70  1  0.256450  0.907247  0.408632  1
  Al  Al71  1  0.256450  0.350577  0.482859  1
  Al  Al72  1  0.256450  0.629890  0.445247  1
  Al  Al73  1  0.756450  1.004643  0.588509  1
  Al  Al74  1  0.756450  0.284738  0.550919  1
  Al  Al75  1  0.756450  0.563638  0.513896  1
  Al  Al76  1  0.561406  0.113635  0.553365  1
  Al  Al77  1  0.561634  0.393502  0.516225  1
  Al  Al78  1  0.561601  0.836525  0.591469  1
  Al  Al79  1  0.951495  0.113635  0.553365  1
  Al  Al80  1  0.951267  0.393502  0.516225  1
  Al  Al81  1  0.951300  0.836525  0.591469  1
  Al  Al82  1  0.450827  0.950065  0.556398  1
  Al  Al83  1  0.451071  0.229789  0.519031  1
  Al  Al84  1  0.450696  0.673067  0.593573  1
  Al  Al85  1  0.562249  0.962227  0.507628  1
  Al  Al86  1  0.562375  0.406027  0.581278  1
  Al  Al87  1  0.562495  0.684288  0.544847  1
  Al  Al88  1  0.061793  0.798808  0.510224  1
  Al  Al89  1  0.062116  0.242633  0.583718  1
  Al  Al90  1  0.061804  0.521202  0.546901  1
  Al  Al91  1  0.950652  0.962227  0.507628  1
  Al  Al92  1  0.950526  0.406027  0.581278  1
  Al  Al93  1  0.950406  0.684288  0.544847  1
  Al  Al94  1  0.451108  0.798808  0.510224  1
  Al  Al95  1  0.450785  0.242633  0.583718  1
  Al  Al96  1  0.451097  0.521202  0.546901  1
  Al  Al97  1  0.062074  0.950065  0.556398  1
  Al  Al98  1  0.061830  0.229789  0.519031  1
  Al  Al99  1  0.062205  0.673067  0.593573  1
  Al  Al100  1  0.756450  0.841168  0.544076  1
  Al  Al101  1  0.756450  0.120481  0.506464  1
  Al  Al102  1  0.756450  0.563811  0.580692  1
  Al  Al103  1  0.256450  0.071564  0.586252  1
  Al  Al104  1  0.256450  0.351627  0.549110  1
  Al  Al105  1  0.256450  0.630173  0.512360  1
  Al  Al106  1  0.256450  0.071413  0.519945  1
  Al  Al107  1  0.256450  0.515101  0.593876  1
  Al  Al108  1  0.256450  0.793401  0.557535  1
  Al  Al109  1  0.756450  0.171641  0.697078  1
  Al  Al110  1  0.756450  0.445575  0.662310  1
  Al  Al111  1  0.756450  0.726684  0.626146  1
  Al  Al112  1  0.559104  0.277291  0.662733  1
  Al  Al113  1  0.562179  0.556467  0.627713  1
  Al  Al114  1  0.558667  0.005151  0.703199  1
  Al  Al115  1  0.953797  0.277291  0.662733  1
  Al  Al116  1  0.950722  0.556467  0.627713  1
  Al  Al117  1  0.954234  0.005151  0.703199  1
  Al  Al118  1  0.453408  0.112021  0.666047  1
  Al  Al119  1  0.450033  0.394354  0.629799  1
  Al  Al120  1  0.456124  0.834432  0.705463  1
  Al  Al121  1  0.562120  0.127407  0.617894  1
  Al  Al122  1  0.563133  0.567447  0.693543  1
  Al  Al123  1  0.559825  0.848137  0.656387  1
  Al  Al124  1  0.061706  0.964294  0.622270  1
  Al  Al125  1  0.057885  0.399341  0.696628  1
  Al  Al126  1  0.060841  0.683239  0.658093  1
  Al  Al127  1  0.950781  0.127407  0.617894  1
  Al  Al128  1  0.949768  0.567447  0.693543  1
  Al  Al129  1  0.953076  0.848137  0.656387  1
  Al  Al130  1  0.451195  0.964294  0.622270  1
  Al  Al131  1  0.455016  0.399341  0.696628  1
  Al  Al132  1  0.452060  0.683239  0.658093  1
  Al  Al133  1  0.059493  0.112021  0.666047  1
  Al  Al134  1  0.062868  0.394354  0.629799  1
  Al  Al135  1  0.056777  0.834432  0.705463  1
  Al  Al136  1  0.756450  0.005028  0.656030  1
  Al  Al137  1  0.756450  0.285186  0.616828  1
  Al  Al138  1  0.756450  0.731675  0.688668  1
  Al  Al139  1  0.256450  0.233470  0.694349  1
  Al  Al140  1  0.256450  0.512829  0.660137  1
  Al  Al141  1  0.256450  0.794048  0.624602  1
  Al  Al142  1  0.256450  0.237212  0.631097  1
  Al  Al143  1  0.256450  0.677985  0.702517  1
  Al  Al144  1  0.256450  0.956148  0.669571  1
  Ni  Ni145  1  0.756450  0.847763  0.362522  1
  Ni  Ni146  1  0.756450  0.120842  0.325445  1
  Ni  Ni147  1  0.756450  0.395596  0.289214  1
  Ni  Ni148  1  0.756450  0.671774  0.318343  1
  Ni  Ni149  1  0.756450  0.949119  0.284935  1
  Ni  Ni150  1  0.756450  0.389676  0.357474  1
  Ni  Ni151  1  0.256450  0.574534  0.366169  1
  Ni  Ni152  1  0.256450  0.857989  0.329707  1
  Ni  Ni153  1  0.256450  0.141809  0.294730  1
  Ni  Ni154  1  0.256450  0.581774  0.299043  1
  Ni  Ni155  1  0.256450  0.030250  0.373130  1
  Ni  Ni156  1  0.256450  0.309461  0.337018  1
  Ni  Ni157  1  0.756450  0.009919  0.474040  1
  Ni  Ni158  1  0.756450  0.289899  0.436912  1
  Ni  Ni159  1  0.756450  0.567071  0.398889  1
  Ni  Ni160  1  0.756450  0.833968  0.430656  1
  Ni  Ni161  1  0.756450  0.112282  0.394234  1
  Ni  Ni162  1  0.756450  0.555982  0.467760  1
  Ni  Ni163  1  0.256450  0.739490  0.478281  1
  Ni  Ni164  1  0.256450  0.016667  0.441566  1
  Ni  Ni165  1  0.256450  0.295819  0.404823  1
  Ni  Ni166  1  0.256450  0.750591  0.409550  1
  Ni  Ni167  1  0.256450  0.193903  0.484375  1
  Ni  Ni168  1  0.256450  0.473766  0.446889  1
  Ni  Ni169  1  0.756450  0.175239  0.584501  1
  Ni  Ni170  1  0.756450  0.454391  0.547758  1
  Ni  Ni171  1  0.756450  0.731569  0.511043  1
  Ni  Ni172  1  0.756450  0.997292  0.542435  1
  Ni  Ni173  1  0.756450  0.277156  0.504949  1
  Ni  Ni174  1  0.756450  0.720467  0.579773  1
  Ni  Ni175  1  0.256450  0.903987  0.590435  1
  Ni  Ni176  1  0.256450  0.181159  0.552412  1
  Ni  Ni177  1  0.256450  0.461140  0.515284  1
  Ni  Ni178  1  0.256450  0.915076  0.521564  1
  Ni  Ni179  1  0.256450  0.358777  0.595089  1
  Ni  Ni180  1  0.256450  0.637090  0.558668  1
  Ni  Ni181  1  0.756450  0.329249  0.694593  1
  Ni  Ni182  1  0.756450  0.613069  0.659617  1
  Ni  Ni183  1  0.756450  0.896524  0.623155  1
  Ni  Ni184  1  0.756450  0.161598  0.652306  1
  Ni  Ni185  1  0.756450  0.440808  0.616194  1
  Ni  Ni186  1  0.756450  0.889285  0.690281  1
  Ni  Ni187  1  0.256450  0.075462  0.700110  1
  Ni  Ni188  1  0.256450  0.350217  0.663879  1
  Ni  Ni189  1  0.256450  0.623296  0.626802  1
  Ni  Ni190  1  0.256450  0.081382  0.631850  1
  Ni  Ni191  1  0.256450  0.521939  0.704388  1
  Ni  Ni192  1  0.256450  0.799284  0.670980  1
