# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00310163
_cell_length_b   16.68954848
_cell_length_c   48.62986743
_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   'Al108 Ni36'
_cell_volume   4872.18049271
_cell_formula_units_Z   36
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  0.984193  0.120697  0.381440  1
  Al  Al2  1  0.074362  0.632873  0.288503  1
  Al  Al3  1  0.994558  0.375203  0.336253  1
  Al  Al4  1  0.246854  0.890543  0.294804  1
  Al  Al5  1  0.263735  0.583572  0.339906  1
  Al  Al6  1  0.172931  0.308693  0.385570  1
  Al  Al7  1  0.216052  0.955941  0.374304  1
  Al  Al8  1  0.215122  0.700256  0.421151  1
  Al  Al9  1  0.171039  0.231912  0.318856  1
  Al  Al10  1  0.323583  0.200256  0.421151  1
  Al  Al11  1  0.367667  0.731912  0.318856  1
  Al  Al12  1  0.322654  0.455941  0.374304  1
  Al  Al13  1  0.756783  0.912152  0.282454  1
  Al  Al14  1  0.717521  0.618764  0.325735  1
  Al  Al15  1  0.689117  0.364069  0.376812  1
  Al  Al16  1  0.821185  0.118764  0.325735  1
  Al  Al17  1  0.849589  0.864069  0.376812  1
  Al  Al18  1  0.781923  0.412152  0.282454  1
  Al  Al19  1  0.649238  0.015612  0.365386  1
  Al  Al20  1  0.720531  0.749072  0.410611  1
  Al  Al21  1  0.665153  0.273741  0.313440  1
  Al  Al22  1  0.818174  0.249072  0.410611  1
  Al  Al23  1  0.873552  0.773741  0.313440  1
  Al  Al24  1  0.889467  0.515612  0.365386  1
  Al  Al25  1  0.274970  0.083572  0.339906  1
  Al  Al26  1  0.365774  0.808693  0.385570  1
  Al  Al27  1  0.291852  0.390543  0.294804  1
  Al  Al28  1  0.504533  0.200957  0.365601  1
  Al  Al29  1  0.528112  0.940561  0.415735  1
  Al  Al30  1  0.599316  0.458319  0.330286  1
  Al  Al31  1  0.939390  0.958319  0.330286  1
  Al  Al32  1  0.034172  0.700957  0.365601  1
  Al  Al33  1  1.010593  0.440561  0.415735  1
  Al  Al34  1  0.544147  0.875203  0.336253  1
  Al  Al35  1  0.554513  0.620697  0.381440  1
  Al  Al36  1  0.464343  0.132873  0.288503  1
  Al  Al37  1  0.039521  0.341915  0.525242  1
  Al  Al38  1  0.045676  0.863612  0.429118  1
  Al  Al39  1  0.025599  0.601554  0.478029  1
  Al  Al40  1  0.196292  0.051130  0.434629  1
  Al  Al41  1  0.204871  0.790159  0.481582  1
  Al  Al42  1  0.204155  0.528730  0.530036  1
  Al  Al43  1  0.212463  0.176201  0.516456  1
  Al  Al44  1  0.178709  0.917854  0.565096  1
  Al  Al45  1  0.194315  0.436704  0.468789  1
  Al  Al46  1  0.359996  0.417854  0.565096  1
  Al  Al47  1  0.344391  0.936704  0.468789  1
  Al  Al48  1  0.326243  0.676201  0.516456  1
  Al  Al49  1  0.678709  0.102189  0.423652  1
  Al  Al50  1  0.712463  0.843841  0.472292  1
  Al  Al51  1  0.694315  0.583339  0.519959  1
  Al  Al52  1  0.826243  0.343841  0.472292  1
  Al  Al53  1  0.844391  0.083339  0.519959  1
  Al  Al54  1  0.859996  0.602189  0.423652  1
  Al  Al55  1  0.704871  0.229883  0.507166  1
  Al  Al56  1  0.696292  0.968912  0.554119  1
  Al  Al57  1  0.704155  0.491313  0.458712  1
  Al  Al58  1  0.842413  0.468912  0.554119  1
  Al  Al59  1  0.834551  0.991313  0.458712  1
  Al  Al60  1  0.833835  0.729883  0.507166  1
  Al  Al61  1  0.333835  0.290159  0.481582  1
  Al  Al62  1  0.334551  0.028730  0.530036  1
  Al  Al63  1  0.342413  0.551130  0.434629  1
  Al  Al64  1  0.525599  0.418489  0.510719  1
  Al  Al65  1  0.545676  0.156430  0.559630  1
  Al  Al66  1  0.539521  0.678128  0.463506  1
  Al  Al67  1  0.999185  0.178128  0.463506  1
  Al  Al68  1  1.013107  0.918489  0.510719  1
  Al  Al69  1  0.993029  0.656430  0.559630  1
  Al  Al70  1  0.513107  0.101554  0.478029  1
  Al  Al71  1  0.499185  0.841915  0.525242  1
  Al  Al72  1  0.493029  0.363612  0.429118  1
  Al  Al73  1  0.099316  0.561723  0.658461  1
  Al  Al74  1  0.028112  0.079481  0.573013  1
  Al  Al75  1  1.004533  0.819086  0.623146  1
  Al  Al76  1  0.220531  0.270971  0.578136  1
  Al  Al77  1  0.149238  0.004430  0.623361  1
  Al  Al78  1  0.165153  0.746302  0.675308  1
  Al  Al79  1  0.217521  0.401279  0.663013  1
  Al  Al80  1  0.256783  0.107891  0.706294  1
  Al  Al81  1  0.189117  0.655973  0.611936  1
  Al  Al82  1  0.281923  0.607891  0.706294  1
  Al  Al83  1  0.349589  0.155973  0.611936  1
  Al  Al84  1  0.321185  0.901279  0.663013  1
  Al  Al85  1  0.715122  0.319787  0.567597  1
  Al  Al86  1  0.716052  0.064101  0.614443  1
  Al  Al87  1  0.671039  0.788130  0.669892  1
  Al  Al88  1  0.822654  0.564101  0.614443  1
  Al  Al89  1  0.867667  0.288130  0.669892  1
  Al  Al90  1  0.823583  0.819787  0.567597  1
  Al  Al91  1  0.763735  0.436470  0.648842  1
  Al  Al92  1  0.746854  0.129499  0.693943  1
  Al  Al93  1  0.672931  0.711349  0.603177  1
  Al  Al94  1  0.791852  0.629499  0.693943  1
  Al  Al95  1  0.865774  0.211349  0.603177  1
  Al  Al96  1  0.774970  0.936470  0.648842  1
  Al  Al97  1  0.389467  0.504430  0.623361  1
  Al  Al98  1  0.373552  0.246302  0.675308  1
  Al  Al99  1  0.318174  0.770971  0.578136  1
  Al  Al100  1  0.494558  0.644839  0.652495  1
  Al  Al101  1  0.574362  0.387170  0.700244  1
  Al  Al102  1  0.484193  0.899346  0.607308  1
  Al  Al103  1  0.054513  0.399346  0.607308  1
  Al  Al104  1  0.044147  0.144839  0.652495  1
  Al  Al105  1  0.964343  0.887170  0.700244  1
  Al  Al106  1  0.534172  0.319086  0.623146  1
  Al  Al107  1  0.439390  0.061723  0.658461  1
  Al  Al108  1  0.510593  0.579481  0.573013  1
  Ni  Ni109  1  0.907104  0.988961  0.405967  1
  Ni  Ni110  1  0.996471  0.504789  0.313007  1
  Ni  Ni111  1  0.884653  0.243581  0.356728  1
  Ni  Ni112  1  0.365207  0.081011  0.391211  1
  Ni  Ni113  1  0.411974  0.538789  0.295035  1
  Ni  Ni114  1  0.386354  0.335774  0.343497  1
  Ni  Ni115  1  0.126731  0.038789  0.295035  1
  Ni  Ni116  1  0.152352  0.835774  0.343497  1
  Ni  Ni117  1  0.173499  0.581011  0.391211  1
  Ni  Ni118  1  0.542235  0.004789  0.313007  1
  Ni  Ni119  1  0.654052  0.743581  0.356728  1
  Ni  Ni120  1  0.631601  0.488961  0.405967  1
  Ni  Ni121  1  0.925182  0.207771  0.549998  1
  Ni  Ni122  1  0.913991  0.728131  0.454093  1
  Ni  Ni123  1  0.904546  0.467699  0.502348  1
  Ni  Ni124  1  0.413991  0.291912  0.534655  1
  Ni  Ni125  1  0.425182  0.812272  0.438750  1
  Ni  Ni126  1  0.404546  0.552344  0.486400  1
  Ni  Ni127  1  0.113524  0.312272  0.438750  1
  Ni  Ni128  1  0.134160  0.052344  0.486400  1
  Ni  Ni129  1  0.124715  0.791912  0.534655  1
  Ni  Ni130  1  0.624715  0.228131  0.454093  1
  Ni  Ni131  1  0.634160  0.967699  0.502348  1
  Ni  Ni132  1  0.613524  0.707771  0.549998  1
  Ni  Ni133  1  0.911974  0.481253  0.693713  1
  Ni  Ni134  1  0.865207  0.939032  0.597537  1
  Ni  Ni135  1  0.886354  0.684268  0.645250  1
  Ni  Ni136  1  0.496471  0.515254  0.675741  1
  Ni  Ni137  1  0.407104  0.031082  0.582781  1
  Ni  Ni138  1  0.384653  0.776461  0.632020  1
  Ni  Ni139  1  0.131601  0.531082  0.582781  1
  Ni  Ni140  1  0.154052  0.276461  0.632020  1
  Ni  Ni141  1  0.042235  0.015254  0.675741  1
  Ni  Ni142  1  0.673499  0.439032  0.597537  1
  Ni  Ni143  1  0.652352  0.184268  0.645250  1
  Ni  Ni144  1  0.626731  0.981253  0.693713  1
