# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85761414
_cell_length_b   10.54458250
_cell_length_c   46.98936781
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.98092236
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al66 Ni44'
_cell_volume   3212.34574878
_cell_formula_units_Z   22
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  0.755110  0.977639  0.276527  1
  Al  Al2  1  0.514003  0.502355  0.297695  1
  Al  Al3  1  0.490811  0.784784  0.279913  1
  Al  Al4  1  0.291917  0.295940  0.290239  1
  Al  Al5  1  0.995698  0.158359  0.285288  1
  Al  Al6  1  0.798035  0.633326  0.313413  1
  Al  Al7  1  0.270223  0.959192  0.322637  1
  Al  Al8  1  0.053849  0.410262  0.341750  1
  Al  Al9  1  0.061729  0.774772  0.311779  1
  Al  Al10  1  0.795402  0.256303  0.334075  1
  Al  Al11  1  0.528161  0.114058  0.328107  1
  Al  Al12  1  0.283054  0.591753  0.349702  1
  Al  Al13  1  0.805604  0.895678  0.361944  1
  Al  Al14  1  0.560956  0.381518  0.382903  1
  Al  Al15  1  0.542509  0.738392  0.355194  1
  Al  Al16  1  0.314635  0.217087  0.375680  1
  Al  Al17  1  0.045357  0.073106  0.369819  1
  Al  Al18  1  0.809272  0.553502  0.389744  1
  Al  Al19  1  0.318716  0.866635  0.404390  1
  Al  Al20  1  0.079999  0.345546  0.425100  1
  Al  Al21  1  0.072195  0.696493  0.397472  1
  Al  Al22  1  0.832115  0.176735  0.417881  1
  Al  Al23  1  0.569500  0.033282  0.411522  1
  Al  Al24  1  0.329641  0.513038  0.432322  1
  Al  Al25  1  0.839873  0.825875  0.445878  1
  Al  Al26  1  0.599775  0.306329  0.466556  1
  Al  Al27  1  0.592528  0.657128  0.438399  1
  Al  Al28  1  0.351402  0.137606  0.459352  1
  Al  Al29  1  0.087987  0.993406  0.453111  1
  Al  Al30  1  0.847422  0.473840  0.473834  1
  Al  Al31  1  0.359705  0.785774  0.487517  1
  Al  Al32  1  0.119127  0.266425  0.508248  1
  Al  Al33  1  0.110987  0.617724  0.480187  1
  Al  Al34  1  0.870988  0.098099  0.500969  1
  Al  Al35  1  0.607845  0.954100  0.494796  1
  Al  Al36  1  0.367846  0.434475  0.515577  1
  Al  Al37  1  0.879058  0.745870  0.529209  1
  Al  Al38  1  0.638960  0.226324  0.549887  1
  Al  Al39  1  0.631410  0.578359  0.521931  1
  Al  Al40  1  0.390846  0.058792  0.542653  1
  Al  Al41  1  0.127430  0.914593  0.536413  1
  Al  Al42  1  0.886305  0.395071  0.557366  1
  Al  Al43  1  0.398834  0.706653  0.570665  1
  Al  Al44  1  0.160117  0.185564  0.591375  1
  Al  Al45  1  0.149192  0.539161  0.563443  1
  Al  Al46  1  0.909333  0.018917  0.584243  1
  Al  Al47  1  0.646718  0.875464  0.577884  1
  Al  Al48  1  0.406637  0.355706  0.598293  1
  Al  Al49  1  0.917877  0.670681  0.612861  1
  Al  Al50  1  0.673229  0.156521  0.633821  1
  Al  Al51  1  0.669561  0.498696  0.606021  1
  Al  Al52  1  0.433476  0.979093  0.625946  1
  Al  Al53  1  0.164198  0.835112  0.620084  1
  Al  Al54  1  0.936324  0.313807  0.640570  1
  Al  Al55  1  0.424984  0.641937  0.654015  1
  Al  Al56  1  0.208610  0.093006  0.673128  1
  Al  Al57  1  0.195779  0.460446  0.646063  1
  Al  Al58  1  0.950671  0.938141  0.667658  1
  Al  Al59  1  0.683431  0.795896  0.661689  1
  Al  Al60  1  0.417104  0.277427  0.683985  1
  Al  Al61  1  0.964830  0.549843  0.698070  1
  Al  Al62  1  0.723723  0.074559  0.719238  1
  Al  Al63  1  0.680798  0.418872  0.682352  1
  Al  Al64  1  0.483135  0.893840  0.710477  1
  Al  Al65  1  0.186916  0.756259  0.705525  1
  Al  Al66  1  0.988022  0.267415  0.715852  1
  Ni  Ni67  1  0.385288  0.048560  0.282395  1
  Ni  Ni68  1  0.154093  0.532858  0.303221  1
  Ni  Ni69  1  0.130451  0.918728  0.276100  1
  Ni  Ni70  1  0.896334  0.396959  0.297054  1
  Ni  Ni71  1  0.904675  0.015532  0.323338  1
  Ni  Ni72  1  0.671673  0.494825  0.345098  1
  Ni  Ni73  1  0.651631  0.875166  0.318163  1
  Ni  Ni74  1  0.419739  0.356166  0.336594  1
  Ni  Ni75  1  0.433441  0.978233  0.366306  1
  Ni  Ni76  1  0.190440  0.456760  0.386668  1
  Ni  Ni77  1  0.169741  0.832680  0.359618  1
  Ni  Ni78  1  0.930952  0.311262  0.380563  1
  Ni  Ni79  1  0.948796  0.937472  0.407100  1
  Ni  Ni80  1  0.710126  0.418139  0.427747  1
  Ni  Ni81  1  0.689044  0.792210  0.401151  1
  Ni  Ni82  1  0.449922  0.272625  0.421820  1
  Ni  Ni83  1  0.470006  0.898006  0.449060  1
  Ni  Ni84  1  0.229760  0.378406  0.469803  1
  Ni  Ni85  1  0.210528  0.752748  0.442822  1
  Ni  Ni86  1  0.969823  0.233014  0.463522  1
  Ni  Ni87  1  0.989474  0.858412  0.490684  1
  Ni  Ni88  1  0.749243  0.338950  0.511420  1
  Ni  Ni89  1  0.729590  0.713249  0.484345  1
  Ni  Ni90  1  0.489359  0.193787  0.505081  1
  Ni  Ni91  1  0.509010  0.819184  0.532243  1
  Ni  Ni92  1  0.268305  0.299451  0.552942  1
  Ni  Ni93  1  0.249073  0.673793  0.525962  1
  Ni  Ni94  1  0.008827  0.154192  0.546704  1
  Ni  Ni95  1  0.028911  0.779574  0.573945  1
  Ni  Ni96  1  0.789789  0.259989  0.594614  1
  Ni  Ni97  1  0.768707  0.634059  0.568017  1
  Ni  Ni98  1  0.530036  0.114726  0.588665  1
  Ni  Ni99  1  0.547881  0.740937  0.615202  1
  Ni  Ni100  1  0.309091  0.219518  0.636147  1
  Ni  Ni101  1  0.288393  0.595438  0.609097  1
  Ni  Ni102  1  0.045391  0.073965  0.629459  1
  Ni  Ni103  1  0.059094  0.696032  0.659171  1
  Ni  Ni104  1  0.827202  0.177032  0.677602  1
  Ni  Ni105  1  0.807160  0.557374  0.650667  1
  Ni  Ni106  1  0.574158  0.036666  0.672427  1
  Ni  Ni107  1  0.582499  0.655240  0.698711  1
  Ni  Ni108  1  0.348382  0.133471  0.719665  1
  Ni  Ni109  1  0.324740  0.519340  0.692544  1
  Ni  Ni110  1  0.093545  0.003639  0.713370  1
