# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94572988
_cell_length_b   16.78654181
_cell_length_c   49.15505303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al48 Ni80'
_cell_volume   3255.79277846
_cell_formula_units_Z   16
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  1.006860  0.953527  0.300114  1
  Al  Al2  1  1.006860  0.396119  0.355493  1
  Al  Al3  1  0.506860  0.841842  0.284421  1
  Al  Al4  1  0.506860  0.280964  0.340979  1
  Al  Al5  1  0.506860  0.072795  0.315295  1
  Al  Al6  1  0.506860  0.511156  0.369394  1
  Al  Al7  1  1.006860  0.233573  0.273214  1
  Al  Al8  1  1.006860  0.676832  0.327804  1
  Al  Al9  1  0.506860  1.001612  0.368444  1
  Al  Al10  1  0.506860  0.556609  0.311220  1
  Al  Al11  1  0.506860  0.789921  0.341902  1
  Al  Al12  1  0.506860  0.355645  0.286127  1
  Al  Al13  1  1.006860  0.836923  0.410865  1
  Al  Al14  1  1.006860  0.277629  0.466754  1
  Al  Al15  1  0.506860  0.721252  0.395861  1
  Al  Al16  1  0.506860  0.162691  0.452196  1
  Al  Al17  1  0.506860  0.951727  0.425469  1
  Al  Al18  1  0.506860  0.392588  0.481214  1
  Al  Al19  1  1.006860  0.116533  0.383262  1
  Al  Al20  1  1.006860  0.557155  0.438566  1
  Al  Al21  1  0.506860  0.882756  0.479761  1
  Al  Al22  1  0.506860  0.442301  0.424185  1
  Al  Al23  1  0.506860  0.671826  0.452918  1
  Al  Al24  1  0.506860  0.231863  0.397869  1
  Al  Al25  1  1.006860  0.717782  0.521847  1
  Al  Al26  1  1.006860  0.158520  0.577863  1
  Al  Al27  1  0.506860  0.602778  0.507495  1
  Al  Al28  1  0.506860  0.043960  0.563484  1
  Al  Al29  1  0.506860  0.832707  0.536443  1
  Al  Al30  1  0.506860  0.273771  0.592806  1
  Al  Al31  1  1.006860  0.997763  0.494417  1
  Al  Al32  1  1.006860  0.438364  0.550242  1
  Al  Al33  1  0.506860  0.763116  0.590551  1
  Al  Al34  1  0.506860  0.323570  0.535747  1
  Al  Al35  1  0.506860  0.553359  0.564706  1
  Al  Al36  1  0.506860  0.112764  0.509020  1
  Al  Al37  1  1.006860  0.600447  0.633712  1
  Al  Al38  1  1.006860  0.040567  0.688319  1
  Al  Al39  1  0.506860  0.484144  0.619216  1
  Al  Al40  1  0.506860  0.919782  0.672891  1
  Al  Al41  1  0.506860  0.715571  0.648158  1
  Al  Al42  1  0.506860  0.149837  0.704179  1
  Al  Al43  1  1.006860  0.879066  0.605165  1
  Al  Al44  1  1.006860  0.319585  0.659644  1
  Al  Al45  1  0.506860  0.635772  0.702026  1
  Al  Al46  1  0.506860  0.204242  0.647300  1
  Al  Al47  1  0.506860  0.438783  0.677183  1
  Al  Al48  1  0.506860  0.993842  0.620326  1
  Ni  Ni49  1  1.006860  0.897471  0.355743  1
  Ni  Ni50  1  1.006860  0.454522  0.299543  1
  Ni  Ni51  1  1.006860  0.036032  0.341493  1
  Ni  Ni52  1  1.006860  0.601639  0.286079  1
  Ni  Ni53  1  1.006860  0.817607  0.315352  1
  Ni  Ni54  1  1.006860  0.256189  0.369327  1
  Ni  Ni55  1  0.506860  0.926432  0.326453  1
  Ni  Ni56  1  0.506860  0.367789  0.382214  1
  Ni  Ni57  1  0.506860  0.993210  0.274177  1
  Ni  Ni58  1  0.506860  0.423436  0.329265  1
  Ni  Ni59  1  1.006860  0.175779  0.327558  1
  Ni  Ni60  1  1.006860  0.745689  0.274579  1
  Ni  Ni61  1  1.006860  0.757084  0.369077  1
  Ni  Ni62  1  1.006860  0.315494  0.314252  1
  Ni  Ni63  1  1.006860  0.093646  0.286090  1
  Ni  Ni64  1  1.006860  0.536055  0.340829  1
  Ni  Ni65  1  0.506860  0.208003  0.299351  1
  Ni  Ni66  1  0.506860  0.645622  0.353376  1
  Ni  Ni67  1  0.506860  0.145874  0.356852  1
  Ni  Ni68  1  0.506860  0.702147  0.300639  1
  Ni  Ni69  1  1.006860  0.777228  0.466272  1
  Ni  Ni70  1  1.006860  0.337099  0.410950  1
  Ni  Ni71  1  1.006860  0.917335  0.452635  1
  Ni  Ni72  1  1.006860  0.477060  0.396919  1
  Ni  Ni73  1  1.006860  0.696768  0.424373  1
  Ni  Ni74  1  1.006860  0.137757  0.480629  1
  Ni  Ni75  1  0.506860  0.807945  0.437546  1
  Ni  Ni76  1  0.506860  0.249020  0.493613  1
  Ni  Ni77  1  0.506860  0.865263  0.384046  1
  Ni  Ni78  1  0.506860  0.306343  0.439890  1
  Ni  Ni79  1  1.006860  0.057354  0.438878  1
  Ni  Ni80  1  1.006860  0.616664  0.382428  1
  Ni  Ni81  1  1.006860  0.637386  0.480216  1
  Ni  Ni82  1  1.006860  0.197242  0.425016  1
  Ni  Ni83  1  1.006860  0.977067  0.397169  1
  Ni  Ni84  1  1.006860  0.417385  0.452693  1
  Ni  Ni85  1  0.506860  0.087929  0.410055  1
  Ni  Ni86  1  0.506860  0.528466  0.465448  1
  Ni  Ni87  1  0.506860  0.026429  0.467590  1
  Ni  Ni88  1  0.506860  0.585496  0.411539  1
  Ni  Ni89  1  1.006860  0.658227  0.577719  1
  Ni  Ni90  1  1.006860  0.218240  0.522411  1
  Ni  Ni91  1  1.006860  0.798099  0.563527  1
  Ni  Ni92  1  1.006860  0.358061  0.508478  1
  Ni  Ni93  1  1.006860  0.578040  0.536070  1
  Ni  Ni94  1  1.006860  0.019216  0.592015  1
  Ni  Ni95  1  0.506860  0.688948  0.548641  1
  Ni  Ni96  1  0.506860  0.130108  0.605051  1
  Ni  Ni97  1  0.506860  0.746374  0.495025  1
  Ni  Ni98  1  0.506860  0.187505  0.551145  1
  Ni  Ni99  1  1.006860  0.938403  0.550052  1
  Ni  Ni100  1  1.006860  0.497730  0.494386  1
  Ni  Ni101  1  1.006860  0.518761  0.592014  1
  Ni  Ni102  1  1.006860  0.078193  0.536166  1
  Ni  Ni103  1  1.006860  0.857812  0.508133  1
  Ni  Ni104  1  1.006860  0.298580  0.564259  1
  Ni  Ni105  1  0.506860  0.969167  0.521303  1
  Ni  Ni106  1  0.506860  0.409749  0.577160  1
  Ni  Ni107  1  0.506860  0.907466  0.578565  1
  Ni  Ni108  1  0.506860  0.466999  0.523347  1
  Ni  Ni109  1  1.006860  0.540341  0.688685  1
  Ni  Ni110  1  1.006860  0.099566  0.634351  1
  Ni  Ni111  1  1.006860  0.682114  0.675604  1
  Ni  Ni112  1  1.006860  0.237685  0.619486  1
  Ni  Ni113  1  1.006860  0.460008  0.647601  1
  Ni  Ni114  1  1.006860  0.897022  0.701957  1
  Ni  Ni115  1  0.506860  0.571457  0.658985  1
  Ni  Ni116  1  0.506860  0.999686  0.713790  1
  Ni  Ni117  1  0.506860  0.628029  0.606883  1
  Ni  Ni118  1  0.506860  0.066798  0.662408  1
  Ni  Ni119  1  1.006860  0.819855  0.659707  1
  Ni  Ni120  1  1.006860  0.378669  0.606101  1
  Ni  Ni121  1  1.006860  0.391301  0.701719  1
  Ni  Ni122  1  1.006860  0.959418  0.647009  1
  Ni  Ni123  1  1.006860  0.738988  0.619067  1
  Ni  Ni124  1  1.006860  0.182398  0.676012  1
  Ni  Ni125  1  0.506860  0.849482  0.630904  1
  Ni  Ni126  1  0.506860  0.291150  0.688282  1
  Ni  Ni127  1  0.506860  0.784830  0.691297  1
  Ni  Ni128  1  0.506860  0.349486  0.634871  1
