# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96443706
_cell_length_b   15.27993818
_cell_length_c   47.57390831
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.51443510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2857.1043507
_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  0.892488  0.805175  0.286731  1
  Al  Al2  1  0.047232  0.114361  0.308266  1
  Al  Al3  1  0.197775  0.416366  0.334554  1
  Al  Al4  1  0.481046  0.982282  0.322862  1
  Al  Al5  1  0.638497  0.297792  0.351043  1
  Al  Al6  1  0.323537  0.667576  0.300655  1
  Al  Al7  1  0.923235  0.866604  0.342864  1
  Al  Al8  1  0.613640  0.245665  0.296742  1
  Al  Al9  1  0.766093  0.553068  0.319493  1
  Al  Al10  1  0.357989  0.736345  0.357291  1
  Al  Al11  1  0.516632  0.053611  0.379909  1
  Al  Al12  1  0.676738  0.374051  0.405501  1
  Al  Al13  1  0.955424  0.931372  0.396336  1
  Al  Al14  1  0.112828  0.246136  0.420688  1
  Al  Al15  1  0.797191  0.614976  0.373043  1
  Al  Al16  1  0.396323  0.812993  0.412961  1
  Al  Al17  1  0.079999  0.180439  0.365331  1
  Al  Al18  1  0.238243  0.497017  0.389128  1
  Al  Al19  1  0.833763  0.688005  0.428902  1
  Al  Al20  1  0.991895  0.004246  0.452379  1
  Al  Al21  1  0.149450  0.319363  0.476927  1
  Al  Al22  1  0.428886  0.878326  0.467778  1
  Al  Al23  1  0.586622  0.193796  0.492056  1
  Al  Al24  1  0.270696  0.561947  0.444318  1
  Al  Al25  1  0.870054  0.760512  0.484934  1
  Al  Al26  1  0.554158  0.128675  0.436730  1
  Al  Al27  1  0.712084  0.444592  0.461576  1
  Al  Al28  1  0.307249  0.634987  0.500587  1
  Al  Al29  1  0.465113  0.950731  0.524082  1
  Al  Al30  1  0.622979  0.266463  0.548751  1
  Al  Al31  1  0.902440  0.825434  0.539457  1
  Al  Al32  1  0.060546  0.141686  0.564224  1
  Al  Al33  1  0.744464  0.509490  0.516191  1
  Al  Al34  1  0.343782  0.707991  0.556799  1
  Al  Al35  1  0.028021  0.076457  0.508989  1
  Al  Al36  1  0.185749  0.391907  0.533334  1
  Al  Al37  1  0.780516  0.581527  0.572334  1
  Al  Al38  1  0.937806  0.896013  0.595417  1
  Al  Al39  1  0.097564  0.215712  0.620919  1
  Al  Al40  1  0.376205  0.772864  0.611912  1
  Al  Al41  1  0.534461  0.089425  0.635477  1
  Al  Al42  1  0.218134  0.456925  0.588320  1
  Al  Al43  1  0.817224  0.654819  0.628073  1
  Al  Al44  1  0.501807  0.024100  0.580191  1
  Al  Al45  1  0.659189  0.338834  0.605226  1
  Al  Al46  1  0.256680  0.533998  0.643692  1
  Al  Al47  1  0.416926  0.854053  0.666261  1
  Al  Al48  1  0.567083  0.155122  0.692344  1
  Al  Al49  1  0.848735  0.717790  0.681291  1
  Al  Al50  1  1.001011  0.024462  0.704178  1
  Al  Al51  1  0.691695  0.403836  0.659066  1
  Al  Al52  1  0.291687  0.604149  0.699638  1
  Al  Al53  1  0.976040  0.972256  0.649836  1
  Al  Al54  1  0.133119  0.286849  0.677244  1
  Ni  Ni55  1  0.399950  0.820148  0.315428  1
  Ni  Ni56  1  0.558735  0.137589  0.336845  1
  Ni  Ni57  1  0.239834  0.500888  0.293639  1
  Ni  Ni58  1  1.004127  0.028535  0.351266  1
  Ni  Ni59  1  0.691037  0.403115  0.306676  1
  Ni  Ni60  1  0.847139  0.714691  0.328604  1
  Ni  Ni61  1  0.874505  0.769341  0.384710  1
  Ni  Ni62  1  0.032615  0.085522  0.408015  1
  Ni  Ni63  1  0.716476  0.453597  0.360637  1
  Ni  Ni64  1  0.476938  0.974384  0.424576  1
  Ni  Ni65  1  0.160088  0.340888  0.378752  1
  Ni  Ni66  1  0.318489  0.657544  0.401488  1
  Ni  Ni67  1  0.348213  0.716843  0.456466  1
  Ni  Ni68  1  0.506301  0.032998  0.480143  1
  Ni  Ni69  1  0.190329  0.401141  0.432921  1
  Ni  Ni70  1  0.950748  0.922051  0.496329  1
  Ni  Ni71  1  0.634753  0.290006  0.449104  1
  Ni  Ni72  1  0.792616  0.605781  0.472905  1
  Ni  Ni73  1  0.821823  0.664079  0.528304  1
  Ni  Ni74  1  0.979844  0.980156  0.551860  1
  Ni  Ni75  1  0.663867  0.348141  0.504712  1
  Ni  Ni76  1  0.424200  0.868894  0.568076  1
  Ni  Ni77  1  0.108389  0.237346  0.520913  1
  Ni  Ni78  1  0.266276  0.553107  0.544731  1
  Ni  Ni79  1  0.296057  0.612514  0.599607  1
  Ni  Ni80  1  0.454466  0.929193  0.622071  1
  Ni  Ni81  1  0.137783  0.296016  0.576602  1
  Ni  Ni82  1  0.898091  0.816533  0.640222  1
  Ni  Ni83  1  0.582109  0.184862  0.592926  1
  Ni  Ni84  1  0.739763  0.500228  0.616764  1
  Ni  Ni85  1  0.766943  0.554598  0.672840  1
  Ni  Ni86  1  0.923678  0.867330  0.694209  1
  Ni  Ni87  1  0.610429  0.241465  0.649435  1
  Ni  Ni88  1  0.375210  0.770395  0.707155  1
  Ni  Ni89  1  0.055495  0.131763  0.663924  1
  Ni  Ni90  1  0.215624  0.451365  0.685719  1
