# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91182490
_cell_length_b   10.52777313
_cell_length_c   51.46524418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al54 Ni36'
_cell_volume   2661.2975362
_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  0.004112  0.394190  0.293081  1
  Al  Al2  1  1.001782  0.034454  0.322746  1
  Al  Al3  1  0.047674  0.751740  0.270000  1
  Al  Al4  1  0.359110  0.178703  0.287138  1
  Al  Al5  1  0.352923  0.823138  0.314287  1
  Al  Al6  1  0.346796  0.466962  0.337474  1
  Al  Al7  1  0.661953  0.251283  0.329447  1
  Al  Al8  1  0.661159  0.958445  0.278691  1
  Al  Al9  1  0.652677  0.609151  0.301708  1
  Al  Al10  1  0.004911  0.324872  0.371190  1
  Al  Al11  1  0.005317  0.966757  0.398139  1
  Al  Al12  1  0.992153  0.680539  0.346704  1
  Al  Al13  1  0.343462  0.111064  0.363392  1
  Al  Al14  1  0.346303  0.750439  0.389570  1
  Al  Al15  1  0.345115  0.396674  0.414782  1
  Al  Al16  1  0.658781  0.180455  0.406313  1
  Al  Al17  1  0.664003  0.894932  0.355602  1
  Al  Al18  1  0.661926  0.535246  0.379900  1
  Al  Al19  1  0.003325  0.252526  0.449084  1
  Al  Al20  1  0.002970  0.895093  0.474904  1
  Al  Al21  1  1.000646  0.608307  0.423419  1
  Al  Al22  1  0.343637  0.039117  0.440736  1
  Al  Al23  1  0.344735  0.681064  0.466439  1
  Al  Al24  1  0.344604  0.324677  0.492151  1
  Al  Al25  1  0.660147  0.108737  0.483367  1
  Al  Al26  1  0.660435  0.823270  0.432098  1
  Al  Al27  1  0.660878  0.465116  0.457491  1
  Al  Al28  1  1.001989  0.181040  0.526300  1
  Al  Al29  1  1.001317  0.823549  0.552078  1
  Al  Al30  1  1.002291  0.538018  0.500586  1
  Al  Al31  1  0.344542  0.967361  0.517846  1
  Al  Al32  1  0.343939  0.610892  0.543666  1
  Al  Al33  1  0.344350  0.252943  0.569119  1
  Al  Al34  1  0.661105  0.037179  0.560461  1
  Al  Al35  1  0.660204  0.751449  0.509030  1
  Al  Al36  1  0.660102  0.394911  0.534752  1
  Al  Al37  1  1.000175  0.109671  0.603138  1
  Al  Al38  1  0.998750  0.751280  0.629849  1
  Al  Al39  1  0.004058  0.467616  0.577781  1
  Al  Al40  1  0.345983  0.895440  0.594793  1
  Al  Al41  1  0.343037  0.540751  0.621296  1
  Al  Al42  1  0.341309  0.181726  0.645905  1
  Al  Al43  1  0.661108  0.965628  0.637663  1
  Al  Al44  1  0.659701  0.679355  0.586363  1
  Al  Al45  1  0.658394  0.325419  0.611694  1
  Al  Al46  1  1.002281  0.040748  0.678131  1
  Al  Al47  1  1.000671  0.681370  0.707619  1
  Al  Al48  1  0.011274  0.395420  0.654440  1
  Al  Al49  1  0.342985  0.824159  0.671417  1
  Al  Al50  1  0.350778  0.467101  0.698657  1
  Al  Al51  1  0.339739  0.113584  0.721658  1
  Al  Al52  1  0.644347  0.895151  0.713832  1
  Al  Al53  1  0.659170  0.608347  0.663713  1
  Al  Al54  1  0.653523  0.253073  0.687361  1
  Ni  Ni55  1  0.867814  0.168750  0.288536  1
  Ni  Ni56  1  0.864866  0.819678  0.311448  1
  Ni  Ni57  1  0.857472  0.466343  0.335722  1
  Ni  Ni58  1  0.149095  0.253350  0.327899  1
  Ni  Ni59  1  0.151956  0.969268  0.281560  1
  Ni  Ni60  1  0.145339  0.610549  0.305372  1
  Ni  Ni61  1  0.851131  0.110287  0.364234  1
  Ni  Ni62  1  0.854780  0.751263  0.389498  1
  Ni  Ni63  1  0.855068  0.393469  0.414341  1
  Ni  Ni64  1  0.149139  0.183109  0.406122  1
  Ni  Ni65  1  0.155415  0.892667  0.356085  1
  Ni  Ni66  1  0.152692  0.538391  0.380457  1
  Ni  Ni67  1  0.852567  0.037743  0.440638  1
  Ni  Ni68  1  0.854015  0.679898  0.466189  1
  Ni  Ni69  1  0.853892  0.323021  0.491886  1
  Ni  Ni70  1  0.150745  0.110349  0.483563  1
  Ni  Ni71  1  0.151399  0.823294  0.432237  1
  Ni  Ni72  1  0.151889  0.467126  0.457823  1
  Ni  Ni73  1  0.853921  0.965825  0.517633  1
  Ni  Ni74  1  0.852998  0.608853  0.543356  1
  Ni  Ni75  1  0.853342  0.252719  0.568988  1
  Ni  Ni76  1  0.151976  0.038435  0.560589  1
  Ni  Ni77  1  0.150941  0.753005  0.509291  1
  Ni  Ni78  1  0.150813  0.396214  0.534996  1
  Ni  Ni79  1  0.855611  0.893369  0.594990  1
  Ni  Ni80  1  0.852243  0.537607  0.620708  1
  Ni  Ni81  1  0.849191  0.183906  0.645280  1
  Ni  Ni82  1  0.154251  0.965804  0.636807  1
  Ni  Ni83  1  0.149849  0.682413  0.586790  1
  Ni  Ni84  1  0.150257  0.324830  0.611767  1
  Ni  Ni85  1  0.855303  0.822420  0.673047  1
  Ni  Ni86  1  0.861160  0.462551  0.696143  1
  Ni  Ni87  1  0.851177  0.105643  0.719111  1
  Ni  Ni88  1  0.134823  0.905406  0.712179  1
  Ni  Ni89  1  0.147539  0.609445  0.665110  1
  Ni  Ni90  1  0.137298  0.256645  0.690035  1
