# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93572131
_cell_length_b   16.41801455
_cell_length_c   48.09955238
_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   'Al63 Ni42'
_cell_volume   3108.03577889
_cell_formula_units_Z   21
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  0.493117  0.288674  0.278577  1
  Al  Al2  1  0.993117  0.681186  0.264739  1
  Al  Al3  1  0.993117  0.910160  0.304224  1
  Al  Al4  1  0.493117  0.525617  0.265221  1
  Al  Al5  1  0.493117  0.792952  0.309200  1
  Al  Al6  1  0.993117  0.157636  0.285487  1
  Al  Al7  1  0.993117  0.409781  0.277675  1
  Al  Al8  1  0.993117  0.680706  0.323333  1
  Al  Al9  1  0.493117  0.045075  0.299791  1
  Al  Al10  1  0.993117  0.189859  0.347602  1
  Al  Al11  1  0.493117  0.546639  0.326508  1
  Al  Al12  1  0.493117  0.829979  0.371677  1
  Al  Al13  1  0.993117  0.429219  0.332741  1
  Al  Al14  1  0.993117  0.702062  0.378030  1
  Al  Al15  1  0.493117  0.067829  0.353913  1
  Al  Al16  1  0.493117  0.318308  0.342995  1
  Al  Al17  1  0.493117  0.591706  0.387739  1
  Al  Al18  1  0.993117  0.955559  0.365112  1
  Al  Al19  1  0.493117  0.103660  0.415250  1
  Al  Al20  1  0.993117  0.466418  0.393948  1
  Al  Al21  1  0.993117  0.740480  0.438315  1
  Al  Al22  1  0.493117  0.338887  0.399607  1
  Al  Al23  1  0.493117  0.613896  0.444060  1
  Al  Al24  1  0.993117  0.977770  0.421219  1
  Al  Al25  1  0.993117  0.228960  0.409359  1
  Al  Al26  1  0.993117  0.502962  0.454520  1
  Al  Al27  1  0.493117  0.866204  0.432290  1
  Al  Al28  1  0.993117  0.014056  0.482216  1
  Al  Al29  1  0.493117  0.376797  0.460278  1
  Al  Al30  1  0.493117  0.650900  0.504991  1
  Al  Al31  1  0.993117  0.250848  0.465974  1
  Al  Al32  1  0.993117  0.524927  0.510779  1
  Al  Al33  1  0.493117  0.888285  0.488174  1
  Al  Al34  1  0.493117  0.140022  0.476384  1
  Al  Al35  1  0.493117  0.414156  0.521126  1
  Al  Al36  1  0.993117  0.776710  0.499104  1
  Al  Al37  1  0.493117  0.924485  0.549059  1
  Al  Al38  1  0.993117  0.288180  0.526806  1
  Al  Al39  1  0.993117  0.561341  0.571795  1
  Al  Al40  1  0.493117  0.161947  0.532547  1
  Al  Al41  1  0.493117  0.435999  0.577691  1
  Al  Al42  1  0.993117  0.798863  0.555127  1
  Al  Al43  1  0.993117  0.050804  0.543152  1
  Al  Al44  1  0.993117  0.325800  0.587422  1
  Al  Al45  1  0.493117  0.687703  0.565934  1
  Al  Al46  1  0.993117  0.836478  0.616089  1
  Al  Al47  1  0.493117  0.198023  0.593069  1
  Al  Al48  1  0.493117  0.475595  0.639202  1
  Al  Al49  1  0.993117  0.072854  0.599271  1
  Al  Al50  1  0.993117  0.346187  0.643733  1
  Al  Al51  1  0.493117  0.710018  0.622208  1
  Al  Al52  1  0.493117  0.962143  0.609837  1
  Al  Al53  1  0.493117  0.235961  0.653757  1
  Al  Al54  1  0.993117  0.597695  0.632874  1
  Al  Al55  1  0.493117  0.752826  0.682883  1
  Al  Al56  1  0.993117  0.114093  0.659765  1
  Al  Al57  1  0.993117  0.376482  0.708280  1
  Al  Al58  1  0.493117  0.984456  0.665573  1
  Al  Al59  1  0.493117  0.257150  0.709187  1
  Al  Al60  1  0.993117  0.617974  0.686841  1
  Al  Al61  1  0.993117  0.872355  0.679333  1
  Al  Al62  1  0.993117  0.143503  0.719343  1
  Al  Al63  1  0.493117  0.505913  0.701411  1
  Ni  Ni64  1  0.993117  0.292718  0.311325  1
  Ni  Ni65  1  0.493117  0.653018  0.292677  1
  Ni  Ni66  1  0.993117  0.013991  0.270077  1
  Ni  Ni67  1  0.993117  0.550885  0.296520  1
  Ni  Ni68  1  0.493117  0.911684  0.275465  1
  Ni  Ni69  1  0.493117  0.185897  0.317710  1
  Ni  Ni70  1  0.493117  0.204014  0.377511  1
  Ni  Ni71  1  0.993117  0.565706  0.356244  1
  Ni  Ni72  1  0.493117  0.929779  0.333924  1
  Ni  Ni73  1  0.493117  0.452606  0.365024  1
  Ni  Ni74  1  0.993117  0.816700  0.342980  1
  Ni  Ni75  1  0.993117  0.091877  0.385846  1
  Ni  Ni76  1  0.993117  0.114941  0.444758  1
  Ni  Ni77  1  0.493117  0.477429  0.423065  1
  Ni  Ni78  1  0.993117  0.840979  0.400823  1
  Ni  Ni79  1  0.993117  0.364933  0.430962  1
  Ni  Ni80  1  0.493117  0.728397  0.408994  1
  Ni  Ni81  1  0.493117  0.002930  0.452791  1
  Ni  Ni82  1  0.493117  0.025568  0.511656  1
  Ni  Ni83  1  0.993117  0.388758  0.489561  1
  Ni  Ni84  1  0.493117  0.751539  0.467585  1
  Ni  Ni85  1  0.493117  0.276262  0.497533  1
  Ni  Ni86  1  0.993117  0.639233  0.475574  1
  Ni  Ni87  1  0.993117  0.913349  0.519707  1
  Ni  Ni88  1  0.993117  0.936445  0.578395  1
  Ni  Ni89  1  0.493117  0.299917  0.556127  1
  Ni  Ni90  1  0.993117  0.662255  0.534396  1
  Ni  Ni91  1  0.993117  0.187392  0.563972  1
  Ni  Ni92  1  0.493117  0.550149  0.542384  1
  Ni  Ni93  1  0.493117  0.824138  0.586693  1
  Ni  Ni94  1  0.493117  0.848860  0.644919  1
  Ni  Ni95  1  0.993117  0.211491  0.622047  1
  Ni  Ni96  1  0.493117  0.573697  0.601100  1
  Ni  Ni97  1  0.493117  0.098221  0.630716  1
  Ni  Ni98  1  0.993117  0.460952  0.609433  1
  Ni  Ni99  1  0.993117  0.735711  0.653393  1
  Ni  Ni100  1  0.993117  0.748139  0.711585  1
  Ni  Ni101  1  0.493117  0.118185  0.689020  1
  Ni  Ni102  1  0.993117  0.478254  0.668949  1
  Ni  Ni103  1  0.993117  0.013367  0.695754  1
  Ni  Ni104  1  0.493117  0.372089  0.675243  1
  Ni  Ni105  1  0.493117  0.648565  0.716915  1
