# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94473411
_cell_length_b   15.14077761
_cell_length_c   47.35245776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.50875294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2803.93710633
_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  0.995769  0.982930  0.294464  1
  Al  Al2  1  0.141540  0.274791  0.316430  1
  Al  Al3  1  0.295677  0.582866  0.341302  1
  Al  Al4  1  0.420257  0.832044  0.304821  1
  Al  Al5  1  0.572920  0.137463  0.331595  1
  Al  Al6  1  0.257874  0.507272  0.285245  1
  Al  Al7  1  0.017967  0.027395  0.352227  1
  Al  Al8  1  0.701465  0.394585  0.302124  1
  Al  Al9  1  0.861875  0.715126  0.326846  1
  Al  Al10  1  0.447375  0.886271  0.364645  1
  Al  Al11  1  0.610141  0.211840  0.388277  1
  Al  Al12  1  0.769732  0.530953  0.412474  1
  Al  Al13  1  0.889423  0.770416  0.380662  1
  Al  Al14  1  0.048024  0.087537  0.404660  1
  Al  Al15  1  0.731957  0.455503  0.356126  1
  Al  Al16  1  0.491628  0.974699  0.420666  1
  Al  Al17  1  0.175713  0.343012  0.373415  1
  Al  Al18  1  0.333668  0.658839  0.397342  1
  Al  Al19  1  0.928286  0.848011  0.436777  1
  Al  Al20  1  0.086779  0.164964  0.460257  1
  Al  Al21  1  0.244024  0.479439  0.483859  1
  Al  Al22  1  0.363955  0.719328  0.452052  1
  Al  Al23  1  0.522296  0.035981  0.475308  1
  Al  Al24  1  0.206017  0.403506  0.427736  1
  Al  Al25  1  0.966264  0.923872  0.492744  1
  Al  Al26  1  0.649908  0.291258  0.444642  1
  Al  Al27  1  0.807969  0.607342  0.468692  1
  Al  Al28  1  0.402514  0.796355  0.507985  1
  Al  Al29  1  0.559759  0.110831  0.531587  1
  Al  Al30  1  0.718252  0.427784  0.555067  1
  Al  Al31  1  0.838569  0.668452  0.523152  1
  Al  Al32  1  0.996630  0.984536  0.547201  1
  Al  Al33  1  0.680274  0.351922  0.499100  1
  Al  Al34  1  0.440520  0.872289  0.564108  1
  Al  Al35  1  0.124242  0.239813  0.516536  1
  Al  Al36  1  0.282583  0.556467  0.539792  1
  Al  Al37  1  0.876806  0.744841  0.579370  1
  Al  Al38  1  0.036397  0.063954  0.603567  1
  Al  Al39  1  0.199163  0.389524  0.627199  1
  Al  Al40  1  0.312870  0.616955  0.594502  1
  Al  Al41  1  0.470824  0.932782  0.618429  1
  Al  Al42  1  0.154910  0.301096  0.571178  1
  Al  Al43  1  0.914581  0.820291  0.635718  1
  Al  Al44  1  0.598514  0.188257  0.587184  1
  Al  Al45  1  0.757115  0.505379  0.611182  1
  Al  Al46  1  0.350861  0.692929  0.650542  1
  Al  Al47  1  0.504998  1.001004  0.675414  1
  Al  Al48  1  0.650769  0.292865  0.697380  1
  Al  Al49  1  0.784663  0.560668  0.664998  1
  Al  Al50  1  0.945073  0.881209  0.689720  1
  Al  Al51  1  0.628571  0.248399  0.639617  1
  Al  Al52  1  0.388664  0.768523  0.706599  1
  Al  Al53  1  0.073618  0.138332  0.660249  1
  Al  Al54  1  0.226281  0.443750  0.687023  1
  Ni  Ni55  1  0.494831  0.981100  0.324578  1
  Ni  Ni56  1  0.652528  0.296675  0.344926  1
  Ni  Ni57  1  0.337673  0.666783  0.297897  1
  Ni  Ni58  1  0.940571  0.872714  0.336099  1
  Ni  Ni59  1  0.619852  0.231545  0.289976  1
  Ni  Ni60  1  0.782967  0.557482  0.313320  1
  Ni  Ni61  1  0.968244  0.927929  0.392552  1
  Ni  Ni62  1  0.127193  0.245848  0.415915  1
  Ni  Ni63  1  0.810982  0.613439  0.368663  1
  Ni  Ni64  1  0.412104  0.815739  0.409723  1
  Ni  Ni65  1  0.097442  0.186520  0.360564  1
  Ni  Ni66  1  0.254504  0.500574  0.384988  1
  Ni  Ni67  1  0.443446  0.878253  0.464012  1
  Ni  Ni68  1  0.601438  0.194210  0.487738  1
  Ni  Ni69  1  0.285167  0.561748  0.439980  1
  Ni  Ni70  1  0.886972  0.765349  0.480564  1
  Ni  Ni71  1  0.570764  0.133008  0.432853  1
  Ni  Ni72  1  0.728774  0.449013  0.456422  1
  Ni  Ni73  1  0.917763  0.826782  0.535422  1
  Ni  Ni74  1  0.075774  0.142787  0.558990  1
  Ni  Ni75  1  0.759565  0.510445  0.511280  1
  Ni  Ni76  1  0.361371  0.714046  0.551864  1
  Ni  Ni77  1  0.045100  0.081584  0.504106  1
  Ni  Ni78  1  0.203092  0.397542  0.527832  1
  Ni  Ni79  1  0.392034  0.775221  0.606856  1
  Ni  Ni80  1  0.549096  0.089274  0.631279  1
  Ni  Ni81  1  0.234434  0.460056  0.582121  1
  Ni  Ni82  1  0.835556  0.662355  0.623181  1
  Ni  Ni83  1  0.519345  0.029946  0.575928  1
  Ni  Ni84  1  0.678294  0.347866  0.599291  1
  Ni  Ni85  1  0.863571  0.718313  0.678523  1
  Ni  Ni86  1  0.026686  0.044250  0.701868  1
  Ni  Ni87  1  0.705967  0.403081  0.655745  1
  Ni  Ni88  1  0.308864  0.609011  0.693946  1
  Ni  Ni89  1  0.994010  0.979120  0.646918  1
  Ni  Ni90  1  0.151707  0.294694  0.667266  1
