# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76046788
_cell_length_b   13.65538717
_cell_length_c   47.29904733
_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   3074.72338755
_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  0.418587  0.084238  0.378473  1
  Al  Al2  1  0.478790  0.375040  0.305109  1
  Al  Al3  1  0.706611  0.148074  0.302676  1
  Al  Al4  1  0.744031  0.838322  0.379248  1
  Al  Al5  1  0.739085  0.334112  0.376282  1
  Al  Al6  1  0.776612  0.646854  0.299301  1
  Al  Al7  1  0.742181  0.991805  0.343368  1
  Al  Al8  1  0.781682  0.677272  0.411468  1
  Al  Al9  1  0.192122  0.226997  0.288538  1
  Al  Al10  1  0.236198  0.914229  0.362846  1
  Al  Al11  1  0.269854  0.259882  0.396663  1
  Al  Al12  1  0.294194  0.570319  0.322473  1
  Al  Al13  1  0.249983  0.408951  0.357514  1
  Al  Al14  1  0.267221  0.776904  0.284141  1
  Al  Al15  1  0.230844  0.064101  0.320478  1
  Al  Al16  1  0.279047  0.750327  0.394595  1
  Al  Al17  1  0.770698  0.184735  0.414007  1
  Al  Al18  1  0.783886  0.496134  0.340823  1
  Al  Al19  1  0.924197  0.165545  0.357970  1
  Al  Al20  1  0.978025  0.440126  0.288541  1
  Al  Al21  1  0.581380  0.511957  0.393108  1
  Al  Al22  1  0.591639  0.806364  0.326054  1
  Al  Al23  1  0.079914  0.426938  0.413734  1
  Al  Al24  1  0.085147  0.731021  0.342243  1
  Al  Al25  1  0.439927  0.459396  0.521337  1
  Al  Al26  1  0.439739  0.769934  0.449987  1
  Al  Al27  1  0.741273  0.529379  0.449149  1
  Al  Al28  1  0.738048  0.219829  0.521119  1
  Al  Al29  1  0.739841  0.714008  0.518581  1
  Al  Al30  1  0.737086  0.024545  0.447856  1
  Al  Al31  1  0.776259  0.369297  0.483055  1
  Al  Al32  1  0.770289  0.059516  0.554715  1
  Al  Al33  1  0.243729  0.602766  0.432383  1
  Al  Al34  1  0.237759  0.292986  0.504044  1
  Al  Al35  1  0.276932  0.637738  0.539242  1
  Al  Al36  1  0.274177  0.948274  0.468517  1
  Al  Al37  1  0.239931  0.787423  0.501734  1
  Al  Al38  1  0.236590  0.098374  0.430831  1
  Al  Al39  1  0.275969  0.442453  0.465979  1
  Al  Al40  1  0.272745  0.132903  0.537949  1
  Al  Al41  1  0.777427  0.563908  0.556267  1
  Al  Al42  1  0.774086  0.874859  0.485364  1
  Al  Al43  1  0.939756  0.547074  0.501037  1
  Al  Al44  1  0.939552  0.856575  0.430405  1
  Al  Al45  1  0.574279  0.892348  0.537111  1
  Al  Al46  1  0.574091  0.202887  0.465762  1
  Al  Al47  1  0.074466  0.805708  0.556693  1
  Al  Al48  1  0.074262  0.115209  0.486061  1
  Al  Al49  1  0.422379  0.855919  0.661044  1
  Al  Al50  1  0.432638  0.150325  0.593990  1
  Al  Al51  1  0.734971  0.911955  0.592503  1
  Al  Al52  1  0.783174  0.598182  0.666620  1
  Al  Al53  1  0.719823  0.091963  0.664626  1
  Al  Al54  1  0.744164  0.402400  0.590436  1
  Al  Al55  1  0.777819  0.748053  0.624253  1
  Al  Al56  1  0.821896  0.435285  0.698560  1
  Al  Al57  1  0.232336  0.985011  0.575630  1
  Al  Al58  1  0.271836  0.670477  0.643730  1
  Al  Al59  1  0.237406  0.015428  0.687797  1
  Al  Al60  1  0.274933  0.328170  0.610816  1
  Al  Al61  1  0.230132  0.166148  0.646276  1
  Al  Al62  1  0.243320  0.477548  0.573091  1
  Al  Al63  1  0.269987  0.823960  0.607851  1
  Al  Al64  1  0.307407  0.514208  0.684422  1
  Al  Al65  1  0.746797  0.885378  0.702957  1
  Al  Al66  1  0.764035  0.253332  0.629584  1
  Al  Al67  1  0.928871  0.931262  0.644855  1
  Al  Al68  1  0.934104  0.235344  0.573365  1
  Al  Al69  1  0.535228  0.287242  0.681989  1
  Al  Al70  1  0.595431  0.578044  0.608625  1
  Al  Al71  1  0.035993  0.222156  0.698557  1
  Al  Al72  1  0.089821  0.496737  0.629129  1
  Ni  Ni73  1  0.414549  0.236681  0.341276  1
  Ni  Ni74  1  0.419000  0.931475  0.413550  1
  Ni  Ni75  1  0.923829  0.311525  0.326557  1
  Ni  Ni76  1  0.910989  0.007800  0.396352  1
  Ni  Ni77  1  0.544622  0.947935  0.295952  1
  Ni  Ni78  1  0.604187  0.658862  0.359512  1
  Ni  Ni79  1  0.048115  0.894189  0.313001  1
  Ni  Ni80  1  0.102767  0.583652  0.375801  1
  Ni  Ni81  1  0.422690  0.620089  0.484098  1
  Ni  Ni82  1  0.418703  0.309834  0.555817  1
  Ni  Ni83  1  0.921930  0.696639  0.466952  1
  Ni  Ni84  1  0.921305  0.385943  0.538726  1
  Ni  Ni85  1  0.595315  0.352449  0.431281  1
  Ni  Ni86  1  0.591328  0.042193  0.503001  1
  Ni  Ni87  1  0.092713  0.276339  0.448373  1
  Ni  Ni88  1  0.092088  0.965643  0.520147  1
  Ni  Ni89  1  0.409831  0.003420  0.627586  1
  Ni  Ni90  1  0.469396  0.714347  0.691147  1
  Ni  Ni91  1  0.911250  0.078630  0.611297  1
  Ni  Ni92  1  0.965903  0.768093  0.674097  1
  Ni  Ni93  1  0.595018  0.730807  0.573548  1
  Ni  Ni94  1  0.599468  0.425602  0.645822  1
  Ni  Ni95  1  0.103029  0.654483  0.590746  1
  Ni  Ni96  1  0.090189  0.350758  0.660541  1
