# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78060590
_cell_length_b   7.30268050
_cell_length_c   47.65249171
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   56.76223495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al42 Ni70'
_cell_volume   2846.75027113
_cell_formula_units_Z   14
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  0.724401  0.387097  0.303819  1
  Al  Al2  1  0.033509  0.005349  0.294429  1
  Al  Al3  1  0.424434  0.734766  0.322411  1
  Al  Al4  1  0.226599  0.395108  0.302328  1
  Al  Al5  1  0.536002  1.000821  0.293438  1
  Al  Al6  1  0.925172  0.733949  0.322176  1
  Al  Al7  1  0.573201  0.760545  0.370162  1
  Al  Al8  1  0.885612  0.395412  0.355956  1
  Al  Al9  1  0.267049  0.118527  0.384008  1
  Al  Al10  1  0.072899  0.757455  0.371084  1
  Al  Al11  1  0.384939  0.395397  0.356733  1
  Al  Al12  1  0.766821  0.117676  0.384534  1
  Al  Al13  1  0.419942  0.138725  0.433031  1
  Al  Al14  1  0.728132  0.779315  0.418765  1
  Al  Al15  1  0.112682  0.498236  0.447184  1
  Al  Al16  1  0.919798  0.139668  0.432870  1
  Al  Al17  1  0.228244  0.779547  0.418795  1
  Al  Al18  1  0.612734  0.498642  0.447005  1
  Al  Al19  1  0.264808  0.520457  0.495534  1
  Al  Al20  1  0.572883  0.161235  0.481246  1
  Al  Al21  1  0.957191  0.879778  0.509757  1
  Al  Al22  1  0.764918  0.520401  0.495434  1
  Al  Al23  1  0.072960  0.161160  0.481119  1
  Al  Al24  1  0.457303  0.879660  0.509651  1
  Al  Al25  1  0.110242  0.900985  0.558119  1
  Al  Al26  1  0.416805  0.542546  0.543985  1
  Al  Al27  1  0.802492  0.260792  0.572077  1
  Al  Al28  1  0.610174  0.901948  0.557952  1
  Al  Al29  1  0.916743  0.542998  0.543801  1
  Al  Al30  1  0.302872  0.260842  0.571956  1
  Al  Al31  1  0.956221  0.285040  0.619683  1
  Al  Al32  1  0.263055  0.923756  0.606281  1
  Al  Al33  1  0.643707  0.643924  0.635127  1
  Al  Al34  1  0.456464  0.282552  0.620627  1
  Al  Al35  1  0.762904  0.923332  0.606708  1
  Al  Al36  1  0.143118  0.642743  0.635664  1
  Al  Al37  1  0.787325  0.664651  0.686047  1
  Al  Al38  1  0.111197  0.303362  0.666535  1
  Al  Al39  1  0.491511  0.028406  0.697422  1
  Al  Al40  1  0.288021  0.670963  0.684631  1
  Al  Al41  1  0.612058  0.304485  0.667394  1
  Al  Al42  1  0.994234  0.025834  0.696772  1
  Ni  Ni43  1  0.652857  0.059544  0.340144  1
  Ni  Ni44  1  0.397368  0.076349  0.337943  1
  Ni  Ni45  1  0.980899  0.374896  0.307273  1
  Ni  Ni46  1  0.692496  0.703042  0.325544  1
  Ni  Ni47  1  0.765748  0.041382  0.291852  1
  Ni  Ni48  1  0.300005  0.676097  0.279877  1
  Ni  Ni49  1  0.898252  0.071561  0.338925  1
  Ni  Ni50  1  0.484294  0.364079  0.309258  1
  Ni  Ni51  1  0.190348  0.704455  0.327115  1
  Ni  Ni52  1  0.265191  0.043547  0.291433  1
  Ni  Ni53  1  0.499620  0.448195  0.401579  1
  Ni  Ni54  1  0.248912  0.447643  0.401783  1
  Ni  Ni55  1  0.826065  0.754035  0.370629  1
  Ni  Ni56  1  0.533082  0.088675  0.387723  1
  Ni  Ni57  1  0.620710  0.424093  0.352384  1
  Ni  Ni58  1  0.150942  0.065071  0.339626  1
  Ni  Ni59  1  0.748796  0.449694  0.401279  1
  Ni  Ni60  1  0.325520  0.756048  0.370605  1
  Ni  Ni61  1  0.033009  0.089228  0.387502  1
  Ni  Ni62  1  0.121409  0.424582  0.351746  1
  Ni  Ni63  1  0.342662  0.830129  0.464106  1
  Ni  Ni64  1  0.092582  0.829777  0.464255  1
  Ni  Ni65  1  0.670021  0.138805  0.432974  1
  Ni  Ni66  1  0.378464  0.471070  0.449921  1
  Ni  Ni67  1  0.462079  0.807784  0.415757  1
  Ni  Ni68  1  0.999969  0.448119  0.401299  1
  Ni  Ni69  1  0.592708  0.829644  0.464201  1
  Ni  Ni70  1  0.170263  0.139517  0.432683  1
  Ni  Ni71  1  0.878527  0.471152  0.449776  1
  Ni  Ni72  1  0.961667  0.807300  0.416206  1
  Ni  Ni73  1  0.187668  0.211328  0.526590  1
  Ni  Ni74  1  0.937754  0.211014  0.526646  1
  Ni  Ni75  1  0.514795  0.520543  0.495480  1
  Ni  Ni76  1  0.222906  0.852619  0.512457  1
  Ni  Ni77  1  0.307170  0.188356  0.478483  1
  Ni  Ni78  1  0.842578  0.829667  0.464267  1
  Ni  Ni79  1  0.437740  0.211164  0.526662  1
  Ni  Ni80  1  0.014803  0.520501  0.495478  1
  Ni  Ni81  1  0.722909  0.852605  0.512429  1
  Ni  Ni82  1  0.807164  0.188350  0.478460  1
  Ni  Ni83  1  0.029514  0.592882  0.589596  1
  Ni  Ni84  1  0.779845  0.593429  0.589401  1
  Ni  Ni85  1  0.360245  0.901829  0.557928  1
  Ni  Ni86  1  0.068651  0.233768  0.574574  1
  Ni  Ni87  1  0.151139  0.569824  0.541160  1
  Ni  Ni88  1  0.687545  0.211100  0.526750  1
  Ni  Ni89  1  0.280104  0.591151  0.589826  1
  Ni  Ni90  1  0.859901  0.901594  0.558139  1
  Ni  Ni91  1  0.568281  0.233416  0.575029  1
  Ni  Ni92  1  0.651251  0.569822  0.541077  1
  Ni  Ni93  1  0.879924  0.970528  0.652127  1
  Ni  Ni94  1  0.629003  0.972381  0.652165  1
  Ni  Ni95  1  0.207035  0.284660  0.619684  1
  Ni  Ni96  1  0.906732  0.617438  0.638680  1
  Ni  Ni97  1  0.997323  0.950128  0.603693  1
  Ni  Ni98  1  0.530120  0.592446  0.589497  1
  Ni  Ni99  1  0.127900  0.974778  0.651233  1
  Ni  Ni100  1  0.707068  0.283028  0.620149  1
  Ni  Ni101  1  0.408025  0.617084  0.638185  1
  Ni  Ni102  1  0.497604  0.950974  0.603469  1
  Ni  Ni103  1  0.739151  0.361426  0.712396  1
  Ni  Ni104  1  0.483228  0.361673  0.712443  1
  Ni  Ni105  1  0.043601  0.652652  0.685421  1
  Ni  Ni106  1  0.756764  0.003492  0.700271  1
  Ni  Ni107  1  0.845415  0.333841  0.664796  1
  Ni  Ni108  1  0.378443  0.975852  0.651426  1
  Ni  Ni109  1  0.997523  0.358804  0.712453  1
  Ni  Ni110  1  0.538561  0.664146  0.683509  1
  Ni  Ni111  1  0.257191  0.003648  0.699536  1
  Ni  Ni112  1  0.342804  0.334866  0.666199  1
