# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98588192
_cell_length_b   14.47930873
_cell_length_c   46.59133348
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.95506799
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2663.04130378
_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  0.834342  0.661618  0.323633  1
  Al  Al2  1  0.127098  0.247156  0.296846  1
  Al  Al3  1  0.421931  0.837668  0.272912  1
  Al  Al4  1  0.266124  0.525102  0.313228  1
  Al  Al5  1  0.556814  0.106660  0.288506  1
  Al  Al6  1  0.970085  0.933164  0.339913  1
  Al  Al7  1  0.696051  0.385004  0.307229  1
  Al  Al8  1  0.988888  0.971233  0.282650  1
  Al  Al9  1  0.404629  0.802705  0.333324  1
  Al  Al10  1  0.952137  0.897176  0.400320  1
  Al  Al11  1  0.245860  0.484597  0.373383  1
  Al  Al12  1  0.539128  0.071261  0.348416  1
  Al  Al13  1  0.382265  0.757236  0.391034  1
  Al  Al14  1  0.676055  0.344882  0.364779  1
  Al  Al15  1  0.089014  0.170715  0.416194  1
  Al  Al16  1  0.815268  0.623524  0.383341  1
  Al  Al17  1  0.109235  0.211539  0.357424  1
  Al  Al18  1  0.521918  0.036840  0.409416  1
  Al  Al19  1  0.070269  0.133214  0.477053  1
  Al  Al20  1  0.364198  0.721125  0.451665  1
  Al  Al21  1  0.658381  0.309548  0.425488  1
  Al  Al22  1  0.500740  0.994037  0.467917  1
  Al  Al23  1  0.794588  0.581771  0.442080  1
  Al  Al24  1  0.206929  0.406365  0.493470  1
  Al  Al25  1  0.933554  0.859974  0.460915  1
  Al  Al26  1  0.227818  0.448522  0.434574  1
  Al  Al27  1  0.639903  0.272607  0.486336  1
  Al  Al28  1  0.188366  0.369249  0.554282  1
  Al  Al29  1  0.482179  0.956896  0.528759  1
  Al  Al30  1  0.776264  0.545139  0.502986  1
  Al  Al31  1  0.619035  0.230458  0.544816  1
  Al  Al32  1  0.912571  0.817550  0.519450  1
  Al  Al33  1  0.324585  0.641492  0.571487  1
  Al  Al34  1  0.051757  0.096191  0.537817  1
  Al  Al35  1  0.345507  0.683730  0.512498  1
  Al  Al36  1  0.757902  0.508429  0.563940  1
  Al  Al37  1  0.306564  0.605444  0.632814  1
  Al  Al38  1  0.600107  0.192609  0.605131  1
  Al  Al39  1  0.893933  0.780267  0.580374  1
  Al  Al40  1  0.737168  0.466640  0.622769  1
  Al  Al41  1  0.030415  0.052994  0.596132  1
  Al  Al42  1  0.443536  0.879065  0.648661  1
  Al  Al43  1  0.170146  0.332860  0.614899  1
  Al  Al44  1  0.463170  0.918841  0.589652  1
  Al  Al45  1  0.876807  0.745986  0.641151  1
  Al  Al46  1  0.426823  0.845582  0.709295  1
  Al  Al47  1  0.718894  0.430241  0.682276  1
  Al  Al48  1  0.013477  0.018998  0.657033  1
  Al  Al49  1  0.857086  0.706245  0.698611  1
  Al  Al50  1  0.146797  0.285856  0.672446  1
  Al  Al51  1  0.567750  0.126004  0.722309  1
  Al  Al52  1  0.285983  0.564270  0.693105  1
  Al  Al53  1  0.582323  0.157142  0.664917  1
  Al  Al54  1  0.997805  0.987170  0.716951  1
  Ni  Ni55  1  0.204950  0.402667  0.278204  1
  Ni  Ni56  1  0.614733  0.222520  0.326035  1
  Ni  Ni57  1  0.907547  0.808833  0.301040  1
  Ni  Ni58  1  0.757631  0.508076  0.344938  1
  Ni  Ni59  1  0.051483  0.095923  0.319704  1
  Ni  Ni60  1  0.348607  0.690023  0.296477  1
  Ni  Ni61  1  0.322728  0.638462  0.351385  1
  Ni  Ni62  1  0.734169  0.461267  0.402367  1
  Ni  Ni63  1  0.028269  0.049587  0.377263  1
  Ni  Ni64  1  0.875924  0.744515  0.422887  1
  Ni  Ni65  1  0.170196  0.333123  0.396554  1
  Ni  Ni66  1  0.464057  0.920993  0.371982  1
  Ni  Ni67  1  0.440169  0.873287  0.428823  1
  Ni  Ni68  1  0.852066  0.696914  0.480210  1
  Ni  Ni69  1  0.146394  0.285634  0.454240  1
  Ni  Ni70  1  0.994165  0.980820  0.499996  1
  Ni  Ni71  1  0.288180  0.568913  0.474235  1
  Ni  Ni72  1  0.582414  0.157450  0.448410  1
  Ni  Ni73  1  0.558274  0.109278  0.505789  1
  Ni  Ni74  1  0.969898  0.932379  0.557371  1
  Ni  Ni75  1  0.264333  0.521335  0.531731  1
  Ni  Ni76  1  0.112347  0.217025  0.576904  1
  Ni  Ni77  1  0.405990  0.804330  0.551583  1
  Ni  Ni78  1  0.700480  0.393415  0.525713  1
  Ni  Ni79  1  0.676576  0.345742  0.583053  1
  Ni  Ni80  1  0.088296  0.169085  0.633360  1
  Ni  Ni81  1  0.382233  0.756903  0.609484  1
  Ni  Ni82  1  0.229297  0.450951  0.654762  1
  Ni  Ni83  1  0.523975  0.039984  0.628159  1
  Ni  Ni84  1  0.818313  0.628894  0.603768  1
  Ni  Ni85  1  0.795314  0.582993  0.661151  1
  Ni  Ni86  1  0.201369  0.395337  0.709264  1
  Ni  Ni87  1  0.502326  0.996510  0.686040  1
  Ni  Ni88  1  0.348548  0.689268  0.727412  1
  Ni  Ni89  1  0.645612  0.283654  0.704091  1
  Ni  Ni90  1  0.938514  0.868939  0.680065  1
