# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44135772
_cell_length_b   7.20445812
_cell_length_c   46.97094277
_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   'Al72 Ni24'
_cell_volume   2856.55705602
_cell_formula_units_Z   24
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  0.751488  0.213489  0.291134  1
  Al  Al2  1  0.506976  0.786608  0.274812  1
  Al  Al3  1  0.996000  0.786608  0.274812  1
  Al  Al4  1  0.497752  0.046023  0.316078  1
  Al  Al5  1  0.493785  0.409985  0.288899  1
  Al  Al6  1  0.006385  0.684722  0.335908  1
  Al  Al7  1  0.009191  0.409985  0.288899  1
  Al  Al8  1  0.496591  0.684722  0.335908  1
  Al  Al9  1  0.005223  0.046023  0.316078  1
  Al  Al10  1  0.751488  0.839243  0.312830  1
  Al  Al11  1  0.251488  0.260236  0.320329  1
  Al  Al12  1  0.251488  0.630907  0.303699  1
  Al  Al13  1  0.751488  0.758754  0.370184  1
  Al  Al14  1  0.507013  0.337515  0.351542  1
  Al  Al15  1  0.995962  0.337515  0.351542  1
  Al  Al16  1  0.492635  0.596750  0.393234  1
  Al  Al17  1  0.509103  0.984121  0.372115  1
  Al  Al18  1  0.008856  0.244761  0.413891  1
  Al  Al19  1  0.993872  0.984121  0.372115  1
  Al  Al20  1  0.494120  0.244761  0.413891  1
  Al  Al21  1  0.010341  0.596750  0.393234  1
  Al  Al22  1  0.751488  0.380183  0.386019  1
  Al  Al23  1  0.251488  0.822576  0.396620  1
  Al  Al24  1  0.251488  0.202641  0.379726  1
  Al  Al25  1  0.751488  0.314824  0.446328  1
  Al  Al26  1  0.509150  0.892460  0.428930  1
  Al  Al27  1  0.993826  0.892460  0.428930  1
  Al  Al28  1  0.494080  0.153309  0.470591  1
  Al  Al29  1  0.508629  0.539996  0.449455  1
  Al  Al30  1  0.008917  0.800782  0.491051  1
  Al  Al31  1  0.994346  0.539996  0.449455  1
  Al  Al32  1  0.494058  0.800782  0.491051  1
  Al  Al33  1  0.008896  0.153309  0.470591  1
  Al  Al34  1  0.751488  0.935498  0.463218  1
  Al  Al35  1  0.251488  0.378459  0.473727  1
  Al  Al36  1  0.251488  0.758055  0.456843  1
  Al  Al37  1  0.751488  0.871235  0.523496  1
  Al  Al38  1  0.508917  0.448912  0.506172  1
  Al  Al39  1  0.994058  0.448912  0.506172  1
  Al  Al40  1  0.494346  0.709699  0.547768  1
  Al  Al41  1  0.508896  0.096386  0.526633  1
  Al  Al42  1  0.009150  0.357234  0.568293  1
  Al  Al43  1  0.994080  0.096386  0.526633  1
  Al  Al44  1  0.493826  0.357234  0.568293  1
  Al  Al45  1  0.008629  0.709699  0.547768  1
  Al  Al46  1  0.751488  0.491640  0.540380  1
  Al  Al47  1  0.251488  0.934870  0.550895  1
  Al  Al48  1  0.251488  0.314197  0.534006  1
  Al  Al49  1  0.751488  0.427118  0.600603  1
  Al  Al50  1  0.508856  0.004933  0.583332  1
  Al  Al51  1  0.994120  0.004933  0.583332  1
  Al  Al52  1  0.493872  0.265574  0.625108  1
  Al  Al53  1  0.510341  0.652945  0.603989  1
  Al  Al54  1  0.007013  0.912180  0.645681  1
  Al  Al55  1  0.992635  0.652945  0.603989  1
  Al  Al56  1  0.495962  0.912180  0.645681  1
  Al  Al57  1  0.009103  0.265574  0.625108  1
  Al  Al58  1  0.751488  0.047054  0.617497  1
  Al  Al59  1  0.251488  0.490941  0.627039  1
  Al  Al60  1  0.251488  0.869512  0.611204  1
  Al  Al61  1  0.751488  0.989458  0.676894  1
  Al  Al62  1  0.506385  0.564973  0.661316  1
  Al  Al63  1  0.996591  0.564973  0.661316  1
  Al  Al64  1  0.509191  0.839710  0.708324  1
  Al  Al65  1  0.505223  0.203672  0.681145  1
  Al  Al66  1  0.006976  0.463086  0.722411  1
  Al  Al67  1  0.997752  0.203672  0.681145  1
  Al  Al68  1  0.496000  0.463086  0.722411  1
  Al  Al69  1  0.993785  0.839710  0.708324  1
  Al  Al70  1  0.751488  0.618788  0.693525  1
  Al  Al71  1  0.251488  0.036205  0.706090  1
  Al  Al72  1  0.251488  0.410451  0.684394  1
  Ni  Ni73  1  0.751488  0.479281  0.330501  1
  Ni  Ni74  1  0.751488  0.570800  0.281633  1
  Ni  Ni75  1  0.251488  0.962075  0.290664  1
  Ni  Ni76  1  0.251488  0.898573  0.342574  1
  Ni  Ni77  1  0.751488  0.036940  0.405069  1
  Ni  Ni78  1  0.751488  0.127265  0.347376  1
  Ni  Ni79  1  0.251488  0.546983  0.359984  1
  Ni  Ni80  1  0.251488  0.461016  0.418548  1
  Ni  Ni81  1  0.751488  0.591397  0.482088  1
  Ni  Ni82  1  0.751488  0.675044  0.424496  1
  Ni  Ni83  1  0.251488  0.101946  0.437905  1
  Ni  Ni84  1  0.251488  0.017270  0.495684  1
  Ni  Ni85  1  0.751488  0.147749  0.559319  1
  Ni  Ni86  1  0.751488  0.232425  0.501539  1
  Ni  Ni87  1  0.251488  0.658297  0.515135  1
  Ni  Ni88  1  0.251488  0.574650  0.572727  1
  Ni  Ni89  1  0.751488  0.702711  0.637239  1
  Ni  Ni90  1  0.751488  0.788678  0.578675  1
  Ni  Ni91  1  0.251488  0.212755  0.592155  1
  Ni  Ni92  1  0.251488  0.122429  0.649847  1
  Ni  Ni93  1  0.751488  0.287620  0.706559  1
  Ni  Ni94  1  0.751488  0.351122  0.654649  1
  Ni  Ni95  1  0.251488  0.770413  0.666722  1
  Ni  Ni96  1  0.251488  0.678895  0.715590  1
