# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94738720
_cell_length_b   11.61006201
_cell_length_c   48.90548063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.13414429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2208.16397281
_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  0.317568  0.372453  0.346539  1
  Al  Al2  1  0.042990  0.920713  0.283680  1
  Al  Al3  1  0.680384  0.646580  0.317439  1
  Al  Al4  1  0.893878  0.218827  0.325005  1
  Al  Al5  1  0.530587  0.945689  0.354743  1
  Al  Al6  1  0.257070  0.493608  0.294118  1
  Al  Al7  1  0.468783  0.068806  0.306772  1
  Al  Al8  1  0.103130  0.801109  0.337785  1
  Al  Al9  1  0.831972  0.345453  0.276570  1
  Al  Al10  1  0.226836  0.554065  0.437203  1
  Al  Al11  1  0.954058  0.099206  0.376392  1
  Al  Al12  1  0.590249  0.827023  0.406930  1
  Al  Al13  1  0.803726  0.399891  0.415523  1
  Al  Al14  1  0.440081  0.127208  0.445707  1
  Al  Al15  1  0.166887  0.673461  0.385132  1
  Al  Al16  1  0.377381  0.253212  0.398349  1
  Al  Al17  1  0.013431  0.981059  0.428649  1
  Al  Al18  1  0.740859  0.526230  0.368399  1
  Al  Al19  1  0.136196  0.735667  0.528078  1
  Al  Al20  1  0.863271  0.281307  0.467524  1
  Al  Al21  1  0.499734  0.008487  0.497801  1
  Al  Al22  1  0.712978  0.581686  0.506332  1
  Al  Al23  1  0.349497  0.308799  0.536577  1
  Al  Al24  1  0.076461  0.854593  0.476031  1
  Al  Al25  1  0.286489  0.435288  0.489270  1
  Al  Al26  1  0.923006  0.162380  0.519571  1
  Al  Al27  1  0.649970  0.708174  0.459025  1
  Al  Al28  1  0.045409  0.917768  0.619210  1
  Al  Al29  1  0.772631  0.462909  0.558399  1
  Al  Al30  1  0.409218  0.189951  0.588672  1
  Al  Al31  1  0.622086  0.763761  0.597253  1
  Al  Al32  1  0.258608  0.490743  0.627203  1
  Al  Al33  1  0.986036  0.035915  0.566953  1
  Al  Al34  1  0.195741  0.617083  0.580079  1
  Al  Al35  1  0.832581  0.343513  0.610470  1
  Al  Al36  1  0.559386  0.889766  0.549896  1
  Al  Al37  1  0.956477  0.096260  0.711922  1
  Al  Al38  1  0.681899  0.644520  0.649063  1
  Al  Al39  1  0.319083  0.370393  0.678164  1
  Al  Al40  1  0.530684  0.948167  0.688830  1
  Al  Al41  1  0.167496  0.671521  0.719032  1
  Al  Al42  1  0.896337  0.215865  0.657817  1
  Al  Al43  1  0.105589  0.798147  0.670597  1
  Al  Al44  1  0.742397  0.523365  0.701484  1
  Al  Al45  1  0.468880  0.071285  0.640859  1
  Ni  Ni46  1  0.936055  0.133403  0.279452  1
  Ni  Ni47  1  0.577206  0.852490  0.309205  1
  Ni  Ni48  1  0.213273  0.581031  0.340361  1
  Ni  Ni49  1  0.422365  0.162383  0.352488  1
  Ni  Ni50  1  0.148229  0.710631  0.292494  1
  Ni  Ni51  1  0.785749  0.436152  0.322930  1
  Ni  Ni52  1  0.849519  0.308625  0.370376  1
  Ni  Ni53  1  0.485715  0.036071  0.400404  1
  Ni  Ni54  1  0.122155  0.763398  0.430813  1
  Ni  Ni55  1  0.331467  0.344771  0.443637  1
  Ni  Ni56  1  0.058398  0.890514  0.383059  1
  Ni  Ni57  1  0.694847  0.617887  0.413425  1
  Ni  Ni58  1  0.758667  0.490559  0.461097  1
  Ni  Ni59  1  0.395185  0.217637  0.491351  1
  Ni  Ni60  1  0.031617  0.944894  0.521683  1
  Ni  Ni61  1  0.240800  0.526415  0.534505  1
  Ni  Ni62  1  0.967851  0.072080  0.473919  1
  Ni  Ni63  1  0.604282  0.799336  0.504251  1
  Ni  Ni64  1  0.668001  0.672202  0.551965  1
  Ni  Ni65  1  0.304620  0.399087  0.582177  1
  Ni  Ni66  1  0.941069  0.126459  0.612543  1
  Ni  Ni67  1  0.149948  0.708349  0.625226  1
  Ni  Ni68  1  0.877312  0.253576  0.564789  1
  Ni  Ni69  1  0.513753  0.980902  0.595198  1
  Ni  Ni70  1  0.577102  0.854591  0.643114  1
  Ni  Ni71  1  0.213718  0.580822  0.672672  1
  Ni  Ni72  1  0.851238  0.306343  0.703108  1
  Ni  Ni73  1  0.063413  0.883570  0.716150  1
  Ni  Ni74  1  0.786194  0.435942  0.655241  1
  Ni  Ni75  1  0.422261  0.164483  0.686397  1
