# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00485514
_cell_length_b   11.71002752
_cell_length_c   49.34966852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.13278272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al45 Ni30'
_cell_volume   2280.11469309
_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  0.359046  0.288204  0.305723  1
  Al  Al2  1  0.995015  0.016322  0.335385  1
  Al  Al3  1  0.717334  0.571556  0.277834  1
  Al  Al4  1  0.934507  0.137272  0.284594  1
  Al  Al5  1  0.572005  0.862150  0.312899  1
  Al  Al6  1  0.209467  0.587304  0.344286  1
  Al  Al7  1  0.418374  0.169704  0.356891  1
  Al  Al8  1  0.148135  0.709947  0.297645  1
  Al  Al9  1  0.781890  0.442609  0.327652  1
  Al  Al10  1  0.267946  0.470480  0.396334  1
  Al  Al11  1  0.904560  0.197277  0.426484  1
  Al  Al12  1  0.632918  0.740496  0.364170  1
  Al  Al13  1  0.845210  0.315836  0.374710  1
  Al  Al14  1  0.481793  0.042693  0.404627  1
  Al  Al15  1  0.117847  0.770596  0.435242  1
  Al  Al16  1  0.327665  0.351185  0.448139  1
  Al  Al17  1  0.054856  0.896773  0.386886  1
  Al  Al18  1  0.690509  0.625452  0.417635  1
  Al  Al19  1  0.177363  0.651713  0.487275  1
  Al  Al20  1  0.813885  0.378689  0.517642  1
  Al  Al21  1  0.540926  0.924564  0.456834  1
  Al  Al22  1  0.754236  0.497851  0.465692  1
  Al  Al23  1  0.390981  0.224371  0.496035  1
  Al  Al24  1  0.027249  0.951863  0.526563  1
  Al  Al25  1  0.236990  0.532610  0.539226  1
  Al  Al26  1  0.964027  0.078478  0.478397  1
  Al  Al27  1  0.600259  0.806034  0.508901  1
  Al  Al28  1  0.086657  0.833192  0.578514  1
  Al  Al29  1  0.723274  0.560048  0.608562  1
  Al  Al30  1  0.450324  0.105817  0.548109  1
  Al  Al31  1  0.663546  0.679327  0.556805  1
  Al  Al32  1  0.300773  0.404846  0.587214  1
  Al  Al33  1  0.936372  0.133582  0.618078  1
  Al  Al34  1  0.146276  0.714102  0.630338  1
  Al  Al35  1  0.873413  0.259769  0.569689  1
  Al  Al36  1  0.509369  0.987839  0.600356  1
  Al  Al37  1  0.995847  0.014761  0.669803  1
  Al  Al38  1  0.632296  0.742180  0.698699  1
  Al  Al39  1  0.358147  0.290166  0.640739  1
  Al  Al40  1  0.572735  0.861039  0.648098  1
  Al  Al41  1  0.210121  0.586738  0.676988  1
  Al  Al42  1  0.839892  0.325398  0.706479  1
  Al  Al43  1  0.057280  0.892066  0.720259  1
  Al  Al44  1  0.781197  0.444501  0.660179  1
  Al  Al45  1  0.418788  0.168625  0.691834  1
  Ni  Ni46  1  0.890325  0.225719  0.329614  1
  Ni  Ni47  1  0.527545  0.951319  0.358909  1
  Ni  Ni48  1  0.256240  0.493806  0.299468  1
  Ni  Ni49  1  0.463582  0.079149  0.311690  1
  Ni  Ni50  1  0.099891  0.806473  0.341515  1
  Ni  Ni51  1  0.824032  0.358143  0.282510  1
  Ni  Ni52  1  0.799571  0.407297  0.420280  1
  Ni  Ni53  1  0.436297  0.133866  0.450408  1
  Ni  Ni54  1  0.162897  0.680591  0.389567  1
  Ni  Ni55  1  0.372994  0.260343  0.402476  1
  Ni  Ni56  1  0.009404  0.987546  0.432625  1
  Ni  Ni57  1  0.736534  0.533239  0.372471  1
  Ni  Ni58  1  0.708998  0.588512  0.511332  1
  Ni  Ni59  1  0.345606  0.315309  0.541654  1
  Ni  Ni60  1  0.072557  0.861363  0.480929  1
  Ni  Ni61  1  0.282239  0.441919  0.493599  1
  Ni  Ni62  1  0.918692  0.169021  0.524012  1
  Ni  Ni63  1  0.645658  0.715057  0.463249  1
  Ni  Ni64  1  0.618222  0.770135  0.602523  1
  Ni  Ni65  1  0.254815  0.497079  0.632196  1
  Ni  Ni66  1  0.981824  0.042870  0.572330  1
  Ni  Ni67  1  0.191673  0.623170  0.584649  1
  Ni  Ni68  1  0.828327  0.349786  0.615352  1
  Ni  Ni69  1  0.554939  0.896561  0.554563  1
  Ni  Ni70  1  0.527557  0.951438  0.693370  1
  Ni  Ni71  1  0.168299  0.670329  0.721738  1
  Ni  Ni72  1  0.891138  0.224138  0.663250  1
  Ni  Ni73  1  0.100900  0.804847  0.675207  1
  Ni  Ni74  1  0.735284  0.536657  0.705830  1
  Ni  Ni75  1  0.463514  0.079370  0.646092  1
