# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85113694
_cell_length_b   9.92609249
_cell_length_c   54.15197179
_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   2607.57090426
_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  0.609017  0.314601  0.332681  1
  Al  Al2  1  0.132714  0.263839  0.301499  1
  Al  Al3  1  0.133722  0.495879  0.337314  1
  Al  Al4  1  0.629118  0.272602  0.278411  1
  Al  Al5  1  0.375306  0.054314  0.344862  1
  Al  Al6  1  0.892648  0.829105  0.286975  1
  Al  Al7  1  0.388666  0.705954  0.290199  1
  Al  Al8  1  0.874775  0.056737  0.323262  1
  Al  Al9  1  0.631049  0.614147  0.333304  1
  Al  Al10  1  0.906546  0.530195  0.289886  1
  Al  Al11  1  0.401709  0.003685  0.291278  1
  Al  Al12  1  0.110801  0.794791  0.335269  1
  Al  Al13  1  0.606600  0.906296  0.423984  1
  Al  Al14  1  0.137751  0.850635  0.390978  1
  Al  Al15  1  0.138370  0.092059  0.427552  1
  Al  Al16  1  0.637639  0.852944  0.368936  1
  Al  Al17  1  0.374971  0.648221  0.436695  1
  Al  Al18  1  0.873738  0.408990  0.378193  1
  Al  Al19  1  0.375352  0.295412  0.382303  1
  Al  Al20  1  0.874821  0.650587  0.414765  1
  Al  Al21  1  0.638348  0.205649  0.423146  1
  Al  Al22  1  0.904504  0.106176  0.378665  1
  Al  Al23  1  0.405605  0.595392  0.381702  1
  Al  Al24  1  0.107638  0.392807  0.426987  1
  Al  Al25  1  0.606902  0.501036  0.515460  1
  Al  Al26  1  0.138975  0.445144  0.482095  1
  Al  Al27  1  0.137079  0.686915  0.518912  1
  Al  Al28  1  0.638969  0.448230  0.460345  1
  Al  Al29  1  0.373110  0.242652  0.527264  1
  Al  Al30  1  0.875000  0.003967  0.468697  1
  Al  Al31  1  0.375306  0.889337  0.473180  1
  Al  Al32  1  0.873104  0.245738  0.505515  1
  Al  Al33  1  0.636773  0.801546  0.514430  1
  Al  Al34  1  0.905609  0.703599  0.469883  1
  Al  Al35  1  0.405177  0.189846  0.472149  1
  Al  Al36  1  0.106470  0.987283  0.517727  1
  Al  Al37  1  0.606474  0.095490  0.605907  1
  Al  Al38  1  0.137258  0.040295  0.572845  1
  Al  Al39  1  0.138341  0.281893  0.609416  1
  Al  Al40  1  0.637108  0.042661  0.550915  1
  Al  Al41  1  0.374440  0.837939  0.618674  1
  Al  Al42  1  0.873709  0.598824  0.560057  1
  Al  Al43  1  0.373731  0.485233  0.564463  1
  Al  Al44  1  0.874328  0.840247  0.596632  1
  Al  Al45  1  0.636727  0.395471  0.605307  1
  Al  Al46  1  0.904441  0.298075  0.560623  1
  Al  Al47  1  0.405479  0.784587  0.563625  1
  Al  Al48  1  0.107575  0.584707  0.608944  1
  Al  Al49  1  0.610370  0.687197  0.696331  1
  Al  Al50  1  0.137304  0.634145  0.664347  1
  Al  Al51  1  0.119431  0.861777  0.700634  1
  Al  Al52  1  0.636773  0.636568  0.642747  1
  Al  Al53  1  0.382961  0.418280  0.709198  1
  Al  Al54  1  0.878357  0.195004  0.650295  1
  Al  Al55  1  0.381030  0.076736  0.654306  1
  Al  Al56  1  0.879365  0.427043  0.686111  1
  Al  Al57  1  0.623413  0.984928  0.697411  1
  Al  Al58  1  0.901278  0.896091  0.652340  1
  Al  Al59  1  0.403062  0.376282  0.654928  1
  Al  Al60  1  0.105533  0.160687  0.697723  1
  Ni  Ni61  1  0.086528  0.254629  0.346196  1
  Ni  Ni62  1  0.416045  0.467913  0.299972  1
  Ni  Ni63  1  0.918362  0.070358  0.277683  1
  Ni  Ni64  1  0.594813  0.853185  0.323811  1
  Ni  Ni65  1  0.089111  0.850672  0.436472  1
  Ni  Ni66  1  0.421010  0.053607  0.390381  1
  Ni  Ni67  1  0.924580  0.650864  0.369366  1
  Ni  Ni68  1  0.590097  0.447626  0.414961  1
  Ni  Ni69  1  0.089590  0.445658  0.527563  1
  Ni  Ni70  1  0.422907  0.648170  0.482144  1
  Ni  Ni71  1  0.922489  0.245225  0.460046  1
  Ni  Ni72  1  0.589172  0.042712  0.505465  1
  Ni  Ni73  1  0.087499  0.040018  0.618244  1
  Ni  Ni74  1  0.421982  0.243256  0.572649  1
  Ni  Ni75  1  0.922968  0.840211  0.551138  1
  Ni  Ni76  1  0.591069  0.637275  0.597228  1
  Ni  Ni77  1  0.093717  0.620524  0.709926  1
  Ni  Ni78  1  0.417266  0.837698  0.663799  1
  Ni  Ni79  1  0.925551  0.436253  0.641413  1
  Ni  Ni80  1  0.596034  0.222969  0.687637  1
