# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84949811
_cell_length_b   9.92600622
_cell_length_c   54.17035737
_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   2607.55236163
_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  0.609036  0.316055  0.332513  1
  Al  Al2  1  0.132488  0.265579  0.301355  1
  Al  Al3  1  0.133355  0.497044  0.337158  1
  Al  Al4  1  0.628940  0.274431  0.278239  1
  Al  Al5  1  0.375657  0.055617  0.344707  1
  Al  Al6  1  0.893036  0.830933  0.286779  1
  Al  Al7  1  0.389079  0.707575  0.289982  1
  Al  Al8  1  0.875157  0.058068  0.323082  1
  Al  Al9  1  0.630546  0.615688  0.333166  1
  Al  Al10  1  0.906594  0.532120  0.289774  1
  Al  Al11  1  0.401840  0.005445  0.291116  1
  Al  Al12  1  0.110710  0.795876  0.335063  1
  Al  Al13  1  0.606773  0.906879  0.423799  1
  Al  Al14  1  0.137473  0.851584  0.390823  1
  Al  Al15  1  0.138189  0.092458  0.427361  1
  Al  Al16  1  0.637373  0.853844  0.368719  1
  Al  Al17  1  0.375572  0.648813  0.436556  1
  Al  Al18  1  0.874248  0.410049  0.378058  1
  Al  Al19  1  0.375876  0.296168  0.382120  1
  Al  Al20  1  0.875424  0.651098  0.414580  1
  Al  Al21  1  0.638171  0.206326  0.422987  1
  Al  Al22  1  0.904679  0.107118  0.378482  1
  Al  Al23  1  0.405749  0.596287  0.381559  1
  Al  Al24  1  0.107803  0.393320  0.426830  1
  Al  Al25  1  0.607052  0.500927  0.515294  1
  Al  Al26  1  0.138791  0.445353  0.481952  1
  Al  Al27  1  0.136826  0.686586  0.518734  1
  Al  Al28  1  0.638787  0.448397  0.460165  1
  Al  Al29  1  0.373635  0.242494  0.527110  1
  Al  Al30  1  0.875595  0.004306  0.468540  1
  Al  Al31  1  0.375909  0.889363  0.472989  1
  Al  Al32  1  0.873630  0.245538  0.505322  1
  Al  Al33  1  0.636512  0.801529  0.514285  1
  Al  Al34  1  0.905821  0.703862  0.469711  1
  Al  Al35  1  0.405369  0.189965  0.471980  1
  Al  Al36  1  0.106600  0.987029  0.517563  1
  Al  Al37  1  0.606672  0.094605  0.605716  1
  Al  Al38  1  0.136997  0.039793  0.572694  1
  Al  Al39  1  0.138173  0.280843  0.609216  1
  Al  Al40  1  0.636849  0.042079  0.550718  1
  Al  Al41  1  0.375048  0.837047  0.618555  1
  Al  Al42  1  0.874232  0.598433  0.559913  1
  Al  Al43  1  0.374250  0.484566  0.564287  1
  Al  Al44  1  0.874948  0.839308  0.596451  1
  Al  Al45  1  0.636545  0.394723  0.605154  1
  Al  Al46  1  0.904618  0.297571  0.560444  1
  Al  Al47  1  0.405649  0.784012  0.563475  1
  Al  Al48  1  0.107742  0.583773  0.608792  1
  Al  Al49  1  0.610581  0.685446  0.696158  1
  Al  Al50  1  0.137265  0.632824  0.664192  1
  Al  Al51  1  0.119385  0.859958  0.700495  1
  Al  Al52  1  0.636764  0.635274  0.642567  1
  Al  Al53  1  0.383481  0.416460  0.709035  1
  Al  Al54  1  0.879066  0.193848  0.650116  1
  Al  Al55  1  0.381875  0.075203  0.654108  1
  Al  Al56  1  0.879933  0.425313  0.685919  1
  Al  Al57  1  0.623342  0.983317  0.697292  1
  Al  Al58  1  0.901711  0.895015  0.652211  1
  Al  Al59  1  0.403385  0.374836  0.654761  1
  Al  Al60  1  0.105827  0.158772  0.697500  1
  Ni  Ni61  1  0.086499  0.255829  0.346040  1
  Ni  Ni62  1  0.416039  0.469614  0.299836  1
  Ni  Ni63  1  0.918421  0.072219  0.277520  1
  Ni  Ni64  1  0.594745  0.854666  0.323600  1
  Ni  Ni65  1  0.089200  0.851084  0.436310  1
  Ni  Ni66  1  0.421263  0.054344  0.390215  1
  Ni  Ni67  1  0.924792  0.651949  0.369192  1
  Ni  Ni68  1  0.590154  0.448321  0.414791  1
  Ni  Ni69  1  0.089661  0.445338  0.527413  1
  Ni  Ni70  1  0.423196  0.648223  0.481997  1
  Ni  Ni71  1  0.922760  0.245553  0.459861  1
  Ni  Ni72  1  0.589225  0.042668  0.505277  1
  Ni  Ni73  1  0.087629  0.038942  0.618082  1
  Ni  Ni74  1  0.422267  0.242571  0.572483  1
  Ni  Ni75  1  0.923221  0.839807  0.550964  1
  Ni  Ni76  1  0.591158  0.636547  0.597059  1
  Ni  Ni77  1  0.094000  0.618673  0.709755  1
  Ni  Ni78  1  0.417676  0.836225  0.663675  1
  Ni  Ni79  1  0.925922  0.435062  0.641234  1
  Ni  Ni80  1  0.596382  0.221277  0.687438  1
