# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85050684
_cell_length_b   9.92601010
_cell_length_c   54.15904299
_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   'Al60 Ni20'
_cell_volume   2607.55102816
_cell_formula_units_Z   20
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  0.609024  0.315166  0.332616  1
  Al  Al2  1  0.132626  0.264516  0.301443  1
  Al  Al3  1  0.133577  0.496331  0.337253  1
  Al  Al4  1  0.629048  0.273314  0.278344  1
  Al  Al5  1  0.375441  0.054820  0.344802  1
  Al  Al6  1  0.892798  0.829816  0.286899  1
  Al  Al7  1  0.388826  0.706584  0.290114  1
  Al  Al8  1  0.874922  0.057255  0.323192  1
  Al  Al9  1  0.630852  0.614746  0.333250  1
  Al  Al10  1  0.906564  0.530944  0.289842  1
  Al  Al11  1  0.401760  0.004370  0.291215  1
  Al  Al12  1  0.110764  0.795213  0.335189  1
  Al  Al13  1  0.606667  0.906523  0.423912  1
  Al  Al14  1  0.137642  0.851003  0.390918  1
  Al  Al15  1  0.138300  0.092215  0.427478  1
  Al  Al16  1  0.637535  0.853293  0.368852  1
  Al  Al17  1  0.375203  0.648451  0.436641  1
  Al  Al18  1  0.873934  0.409400  0.378141  1
  Al  Al19  1  0.375554  0.295706  0.382232  1
  Al  Al20  1  0.875053  0.650786  0.414694  1
  Al  Al21  1  0.638279  0.205912  0.423085  1
  Al  Al22  1  0.904571  0.106541  0.378594  1
  Al  Al23  1  0.405660  0.595739  0.381647  1
  Al  Al24  1  0.107702  0.393007  0.426926  1
  Al  Al25  1  0.606960  0.500997  0.515397  1
  Al  Al26  1  0.138905  0.445227  0.482040  1
  Al  Al27  1  0.136981  0.686791  0.518844  1
  Al  Al28  1  0.638900  0.448297  0.460276  1
  Al  Al29  1  0.373311  0.242594  0.527205  1
  Al  Al30  1  0.875229  0.004100  0.468637  1
  Al  Al31  1  0.375538  0.889349  0.473106  1
  Al  Al32  1  0.873306  0.245664  0.505441  1
  Al  Al33  1  0.636672  0.801542  0.514374  1
  Al  Al34  1  0.905690  0.703703  0.469817  1
  Al  Al35  1  0.405251  0.189894  0.472084  1
  Al  Al36  1  0.106520  0.987188  0.517664  1
  Al  Al37  1  0.606551  0.095152  0.605834  1
  Al  Al38  1  0.137157  0.040105  0.572787  1
  Al  Al39  1  0.138276  0.281491  0.609339  1
  Al  Al40  1  0.637008  0.042440  0.550839  1
  Al  Al41  1  0.374676  0.837598  0.618629  1
  Al  Al42  1  0.873910  0.598676  0.560002  1
  Al  Al43  1  0.373931  0.484979  0.564396  1
  Al  Al44  1  0.874568  0.839888  0.596563  1
  Al  Al45  1  0.636656  0.395186  0.605248  1
  Al  Al46  1  0.904509  0.297884  0.560554  1
  Al  Al47  1  0.405544  0.784368  0.563568  1
  Al  Al48  1  0.107640  0.584350  0.608886  1
  Al  Al49  1  0.610451  0.686521  0.696265  1
  Al  Al50  1  0.137289  0.633636  0.664288  1
  Al  Al51  1  0.119412  0.861075  0.700581  1
  Al  Al52  1  0.636769  0.636071  0.642679  1
  Al  Al53  1  0.383162  0.417577  0.709136  1
  Al  Al54  1  0.878633  0.194560  0.650227  1
  Al  Al55  1  0.381358  0.076145  0.654230  1
  Al  Al56  1  0.879585  0.426375  0.686037  1
  Al  Al57  1  0.623384  0.984307  0.697366  1
  Al  Al58  1  0.901446  0.895678  0.652291  1
  Al  Al59  1  0.403187  0.375725  0.654864  1
  Al  Al60  1  0.105646  0.159947  0.697638  1
  Ni  Ni61  1  0.086515  0.255095  0.346136  1
  Ni  Ni62  1  0.416042  0.468575  0.299919  1
  Ni  Ni63  1  0.918385  0.071082  0.277619  1
  Ni  Ni64  1  0.594785  0.853761  0.323728  1
  Ni  Ni65  1  0.089145  0.850833  0.436409  1
  Ni  Ni66  1  0.421108  0.053893  0.390317  1
  Ni  Ni67  1  0.924662  0.651285  0.369298  1
  Ni  Ni68  1  0.590119  0.447896  0.414895  1
  Ni  Ni69  1  0.089617  0.445537  0.527506  1
  Ni  Ni70  1  0.423018  0.648193  0.482088  1
  Ni  Ni71  1  0.922594  0.245354  0.459975  1
  Ni  Ni72  1  0.589192  0.042698  0.505393  1
  Ni  Ni73  1  0.087549  0.039606  0.618182  1
  Ni  Ni74  1  0.422092  0.242995  0.572585  1
  Ni  Ni75  1  0.923065  0.840058  0.551071  1
  Ni  Ni76  1  0.591103  0.636998  0.597163  1
  Ni  Ni77  1  0.093825  0.619809  0.709861  1
  Ni  Ni78  1  0.417426  0.837130  0.663752  1
  Ni  Ni79  1  0.925695  0.435796  0.641345  1
  Ni  Ni80  1  0.596168  0.222316  0.687561  1
