# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94464561
_cell_length_b   15.14085997
_cell_length_c   47.35331545
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.50875306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2803.94023867
_cell_formula_units_Z   18
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  0.995780  0.982930  0.294457  1
  Al  Al2  1  0.141548  0.274788  0.316423  1
  Al  Al3  1  0.295686  0.582863  0.341294  1
  Al  Al4  1  0.420266  0.832042  0.304813  1
  Al  Al5  1  0.572928  0.137459  0.331586  1
  Al  Al6  1  0.257884  0.507272  0.285237  1
  Al  Al7  1  0.017976  0.027392  0.352220  1
  Al  Al8  1  0.701474  0.394583  0.302117  1
  Al  Al9  1  0.861885  0.715123  0.326838  1
  Al  Al10  1  0.447384  0.886267  0.364637  1
  Al  Al11  1  0.610150  0.211837  0.388268  1
  Al  Al12  1  0.769741  0.530949  0.412465  1
  Al  Al13  1  0.889431  0.770413  0.380653  1
  Al  Al14  1  0.048033  0.087534  0.404651  1
  Al  Al15  1  0.731966  0.455500  0.356118  1
  Al  Al16  1  0.491637  0.974695  0.420658  1
  Al  Al17  1  0.175722  0.343008  0.373407  1
  Al  Al18  1  0.333677  0.658835  0.397334  1
  Al  Al19  1  0.928296  0.848008  0.436769  1
  Al  Al20  1  0.086789  0.164961  0.460248  1
  Al  Al21  1  0.244034  0.479436  0.483850  1
  Al  Al22  1  0.363965  0.719325  0.452043  1
  Al  Al23  1  0.522306  0.035979  0.475298  1
  Al  Al24  1  0.206027  0.403503  0.427726  1
  Al  Al25  1  0.966273  0.923869  0.492735  1
  Al  Al26  1  0.649917  0.291255  0.444634  1
  Al  Al27  1  0.807978  0.607339  0.468684  1
  Al  Al28  1  0.402524  0.796353  0.507976  1
  Al  Al29  1  0.559769  0.110828  0.531578  1
  Al  Al30  1  0.718262  0.427781  0.555057  1
  Al  Al31  1  0.838580  0.668450  0.523142  1
  Al  Al32  1  0.996640  0.984534  0.547192  1
  Al  Al33  1  0.680284  0.351920  0.499091  1
  Al  Al34  1  0.440531  0.872286  0.564099  1
  Al  Al35  1  0.124252  0.239810  0.516527  1
  Al  Al36  1  0.282593  0.556464  0.539783  1
  Al  Al37  1  0.876817  0.744840  0.579361  1
  Al  Al38  1  0.036408  0.063952  0.603557  1
  Al  Al39  1  0.199174  0.389522  0.627189  1
  Al  Al40  1  0.312881  0.616954  0.594492  1
  Al  Al41  1  0.470836  0.932781  0.618419  1
  Al  Al42  1  0.154921  0.301094  0.571167  1
  Al  Al43  1  0.914592  0.820289  0.635708  1
  Al  Al44  1  0.598525  0.188255  0.587175  1
  Al  Al45  1  0.757126  0.505377  0.611173  1
  Al  Al46  1  0.350872  0.692926  0.650532  1
  Al  Al47  1  0.505010  1.001001  0.675403  1
  Al  Al48  1  0.650778  0.292859  0.697369  1
  Al  Al49  1  0.784673  0.560666  0.664987  1
  Al  Al50  1  0.945084  0.881206  0.689709  1
  Al  Al51  1  0.628582  0.248397  0.639606  1
  Al  Al52  1  0.388673  0.768517  0.706589  1
  Al  Al53  1  0.073629  0.138330  0.660240  1
  Al  Al54  1  0.226292  0.443747  0.687013  1
  Ni  Ni55  1  0.494840  0.981097  0.324571  1
  Ni  Ni56  1  0.652537  0.296672  0.344918  1
  Ni  Ni57  1  0.337683  0.666781  0.297890  1
  Ni  Ni58  1  0.940580  0.872711  0.336091  1
  Ni  Ni59  1  0.619861  0.231543  0.289968  1
  Ni  Ni60  1  0.782976  0.557479  0.313312  1
  Ni  Ni61  1  0.968253  0.927926  0.392544  1
  Ni  Ni62  1  0.127202  0.245845  0.415907  1
  Ni  Ni63  1  0.810991  0.613436  0.368655  1
  Ni  Ni64  1  0.412113  0.815736  0.409714  1
  Ni  Ni65  1  0.097451  0.186516  0.360556  1
  Ni  Ni66  1  0.254513  0.500570  0.384979  1
  Ni  Ni67  1  0.443456  0.878250  0.464004  1
  Ni  Ni68  1  0.601448  0.194207  0.487729  1
  Ni  Ni69  1  0.285177  0.561745  0.439971  1
  Ni  Ni70  1  0.886982  0.765346  0.480555  1
  Ni  Ni71  1  0.570773  0.133005  0.432844  1
  Ni  Ni72  1  0.728784  0.449009  0.456413  1
  Ni  Ni73  1  0.917774  0.826780  0.535413  1
  Ni  Ni74  1  0.075785  0.142784  0.558981  1
  Ni  Ni75  1  0.759576  0.510443  0.511271  1
  Ni  Ni76  1  0.361381  0.714044  0.551854  1
  Ni  Ni77  1  0.045110  0.081582  0.504097  1
  Ni  Ni78  1  0.203102  0.397539  0.527822  1
  Ni  Ni79  1  0.392045  0.775219  0.606846  1
  Ni  Ni80  1  0.549107  0.089273  0.631270  1
  Ni  Ni81  1  0.234445  0.460053  0.582112  1
  Ni  Ni82  1  0.835567  0.662353  0.623171  1
  Ni  Ni83  1  0.519356  0.029944  0.575919  1
  Ni  Ni84  1  0.678304  0.347863  0.599281  1
  Ni  Ni85  1  0.863582  0.718310  0.678513  1
  Ni  Ni86  1  0.026697  0.044246  0.701858  1
  Ni  Ni87  1  0.705978  0.403078  0.655735  1
  Ni  Ni88  1  0.308874  0.609008  0.693936  1
  Ni  Ni89  1  0.994021  0.979118  0.646908  1
  Ni  Ni90  1  0.151718  0.294692  0.667255  1
