# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94989390
_cell_length_b   11.60960843
_cell_length_c   48.87359773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.86585570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2208.03947066
_cell_formula_units_Z   15
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  0.689941  0.372238  0.346815  1
  Al  Al2  1  0.964459  0.920448  0.283958  1
  Al  Al3  1  0.327083  0.646302  0.317693  1
  Al  Al4  1  0.113557  0.218540  0.325277  1
  Al  Al5  1  0.476879  0.945445  0.355021  1
  Al  Al6  1  0.750379  0.493268  0.294376  1
  Al  Al7  1  0.538679  0.068584  0.307017  1
  Al  Al8  1  0.904377  0.800906  0.338053  1
  Al  Al9  1  0.175588  0.345201  0.276815  1
  Al  Al10  1  0.780751  0.553990  0.437508  1
  Al  Al11  1  0.053463  0.099032  0.376675  1
  Al  Al12  1  0.417303  0.826896  0.407222  1
  Al  Al13  1  0.203805  0.399738  0.415826  1
  Al  Al14  1  0.567475  0.127100  0.446019  1
  Al  Al15  1  0.840613  0.673256  0.385425  1
  Al  Al16  1  0.630202  0.253111  0.398634  1
  Al  Al17  1  0.994179  0.981012  0.428944  1
  Al  Al18  1  0.266704  0.526093  0.368675  1
  Al  Al19  1  0.871477  0.735735  0.528413  1
  Al  Al20  1  0.144343  0.281278  0.467838  1
  Al  Al21  1  0.507910  0.008506  0.498126  1
  Al  Al22  1  0.294639  0.581678  0.506665  1
  Al  Al23  1  0.658148  0.308835  0.536920  1
  Al  Al24  1  0.931127  0.854537  0.476354  1
  Al  Al25  1  0.721181  0.435335  0.489586  1
  Al  Al26  1  0.084694  0.162476  0.519898  1
  Al  Al27  1  0.357672  0.708177  0.459331  1
  Al  Al28  1  0.962358  0.917980  0.619577  1
  Al  Al29  1  0.235070  0.463023  0.558744  1
  Al  Al30  1  0.598518  0.190117  0.589030  1
  Al  Al31  1  0.385619  0.763902  0.597618  1
  Al  Al32  1  0.749117  0.490920  0.627577  1
  Al  Al33  1  0.021642  0.036001  0.567308  1
  Al  Al34  1  0.812016  0.617274  0.580426  1
  Al  Al35  1  0.175207  0.343757  0.610826  1
  Al  Al36  1  0.448346  0.889912  0.550233  1
  Al  Al37  1  0.051362  0.096564  0.712294  1
  Al  Al38  1  0.325880  0.644775  0.649437  1
  Al  Al39  1  0.688738  0.370710  0.678558  1
  Al  Al40  1  0.477142  0.948429  0.689234  1
  Al  Al41  1  0.840233  0.671812  0.719437  1
  Al  Al42  1  0.111444  0.216106  0.658198  1
  Al  Al43  1  0.902264  0.798472  0.670974  1
  Al  Al44  1  0.265442  0.523744  0.701875  1
  Al  Al45  1  0.538942  0.071567  0.641231  1
  Ni  Ni46  1  0.071346  0.133126  0.279700  1
  Ni  Ni47  1  0.430241  0.852208  0.309462  1
  Ni  Ni48  1  0.794235  0.580816  0.340628  1
  Ni  Ni49  1  0.585123  0.162160  0.352763  1
  Ni  Ni50  1  0.859213  0.710322  0.292754  1
  Ni  Ni51  1  0.221736  0.435885  0.323200  1
  Ni  Ni52  1  0.158015  0.308455  0.370656  1
  Ni  Ni53  1  0.521836  0.035944  0.400692  1
  Ni  Ni54  1  0.885431  0.763324  0.431112  1
  Ni  Ni55  1  0.676118  0.344693  0.443946  1
  Ni  Ni56  1  0.949123  0.890342  0.383347  1
  Ni  Ni57  1  0.312708  0.617761  0.413724  1
  Ni  Ni58  1  0.248949  0.490531  0.461407  1
  Ni  Ni59  1  0.612460  0.217656  0.491670  1
  Ni  Ni60  1  0.976059  0.944962  0.522013  1
  Ni  Ni61  1  0.766872  0.526481  0.534844  1
  Ni  Ni62  1  0.039762  0.072050  0.474238  1
  Ni  Ni63  1  0.403361  0.799357  0.504581  1
  Ni  Ni64  1  0.339703  0.672319  0.552306  1
  Ni  Ni65  1  0.703113  0.399251  0.582527  1
  Ni  Ni66  1  0.066698  0.126670  0.612905  1
  Ni  Ni67  1  0.857806  0.708557  0.625596  1
  Ni  Ni68  1  0.130390  0.253688  0.565139  1
  Ni  Ni69  1  0.493984  0.981069  0.595560  1
  Ni  Ni70  1  0.430698  0.854853  0.643489  1
  Ni  Ni71  1  0.794085  0.581127  0.673052  1
  Ni  Ni72  1  0.156608  0.306690  0.703498  1
  Ni  Ni73  1  0.944475  0.883886  0.716551  1
  Ni  Ni74  1  0.221586  0.436196  0.655623  1
  Ni  Ni75  1  0.585579  0.164804  0.686789  1
