# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99127481
_cell_length_b   16.35914119
_cell_length_c   47.60947416
_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   3108.60482269
_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  0.488266  0.278394  0.286969  1
  Al  Al2  1  0.988266  0.648730  0.268377  1
  Al  Al3  1  0.988266  0.908701  0.311290  1
  Al  Al4  1  0.488266  0.515445  0.274026  1
  Al  Al5  1  0.488266  0.786879  0.316270  1
  Al  Al6  1  0.988266  0.150298  0.294842  1
  Al  Al7  1  0.988266  0.400352  0.283990  1
  Al  Al8  1  0.988266  0.672266  0.327821  1
  Al  Al9  1  0.488266  0.036600  0.305819  1
  Al  Al10  1  0.988266  0.182832  0.354330  1
  Al  Al11  1  0.488266  0.542625  0.332923  1
  Al  Al12  1  0.488266  0.819804  0.377315  1
  Al  Al13  1  0.988266  0.422962  0.339695  1
  Al  Al14  1  0.988266  0.695584  0.384422  1
  Al  Al15  1  0.488266  0.060434  0.360861  1
  Al  Al16  1  0.488266  0.310162  0.348233  1
  Al  Al17  1  0.488266  0.582134  0.393225  1
  Al  Al18  1  0.988266  0.946076  0.370381  1
  Al  Al19  1  0.488266  0.094119  0.421595  1
  Al  Al20  1  0.988266  0.457227  0.400036  1
  Al  Al21  1  0.988266  0.730950  0.444465  1
  Al  Al22  1  0.488266  0.331966  0.406488  1
  Al  Al23  1  0.488266  0.605637  0.451062  1
  Al  Al24  1  0.988266  0.969438  0.428266  1
  Al  Al25  1  0.988266  0.218810  0.415045  1
  Al  Al26  1  0.988266  0.491961  0.460149  1
  Al  Al27  1  0.488266  0.855495  0.437676  1
  Al  Al28  1  0.988266  0.003823  0.488670  1
  Al  Al29  1  0.488266  0.367103  0.466693  1
  Al  Al30  1  0.488266  0.640415  0.511383  1
  Al  Al31  1  0.988266  0.242154  0.473164  1
  Al  Al32  1  0.988266  0.515524  0.517965  1
  Al  Al33  1  0.488266  0.879126  0.495337  1
  Al  Al34  1  0.488266  0.128704  0.482090  1
  Al  Al35  1  0.488266  0.401977  0.526950  1
  Al  Al36  1  0.988266  0.765157  0.504750  1
  Al  Al37  1  0.488266  0.913478  0.555666  1
  Al  Al38  1  0.988266  0.277015  0.533441  1
  Al  Al39  1  0.988266  0.550054  0.578384  1
  Al  Al40  1  0.488266  0.152183  0.539953  1
  Al  Al41  1  0.488266  0.425379  0.584963  1
  Al  Al42  1  0.988266  0.788836  0.562447  1
  Al  Al43  1  0.988266  0.038565  0.549018  1
  Al  Al44  1  0.988266  0.311934  0.593650  1
  Al  Al45  1  0.488266  0.674997  0.571732  1
  Al  Al46  1  0.988266  0.825109  0.622893  1
  Al  Al47  1  0.488266  0.186736  0.600121  1
  Al  Al48  1  0.488266  0.461784  0.645547  1
  Al  Al49  1  0.988266  0.061758  0.606883  1
  Al  Al50  1  0.988266  0.333591  0.651741  1
  Al  Al51  1  0.488266  0.698470  0.629605  1
  Al  Al52  1  0.488266  0.948543  0.615991  1
  Al  Al53  1  0.488266  0.220434  0.660527  1
  Al  Al54  1  0.988266  0.584023  0.639008  1
  Al  Al55  1  0.488266  0.734434  0.688374  1
  Al  Al56  1  0.988266  0.098775  0.666626  1
  Al  Al57  1  0.988266  0.365251  0.712841  1
  Al  Al58  1  0.488266  0.971795  0.672833  1
  Al  Al59  1  0.488266  0.246115  0.715564  1
  Al  Al60  1  0.988266  0.606903  0.693912  1
  Al  Al61  1  0.988266  0.857696  0.683432  1
  Al  Al62  1  0.988266  0.137922  0.723390  1
  Al  Al63  1  0.488266  0.493737  0.705082  1
  Ni  Ni64  1  0.988266  0.285904  0.317848  1
  Ni  Ni65  1  0.488266  0.647944  0.297833  1
  Ni  Ni66  1  0.988266  0.009671  0.275041  1
  Ni  Ni67  1  0.988266  0.538783  0.304157  1
  Ni  Ni68  1  0.488266  0.903742  0.281895  1
  Ni  Ni69  1  0.488266  0.175887  0.325227  1
  Ni  Ni70  1  0.488266  0.196047  0.383813  1
  Ni  Ni71  1  0.988266  0.558549  0.362343  1
  Ni  Ni72  1  0.488266  0.921895  0.340094  1
  Ni  Ni73  1  0.488266  0.445084  0.371087  1
  Ni  Ni74  1  0.988266  0.808944  0.348609  1
  Ni  Ni75  1  0.988266  0.082595  0.392325  1
  Ni  Ni76  1  0.988266  0.105662  0.450922  1
  Ni  Ni77  1  0.488266  0.468723  0.429085  1
  Ni  Ni78  1  0.988266  0.832490  0.406548  1
  Ni  Ni79  1  0.988266  0.355287  0.437537  1
  Ni  Ni80  1  0.488266  0.718924  0.415314  1
  Ni  Ni81  1  0.488266  0.992502  0.459430  1
  Ni  Ni82  1  0.488266  0.015412  0.517934  1
  Ni  Ni83  1  0.988266  0.378705  0.495847  1
  Ni  Ni84  1  0.488266  0.742101  0.473618  1
  Ni  Ni85  1  0.488266  0.265423  0.504278  1
  Ni  Ni86  1  0.988266  0.628838  0.482131  1
  Ni  Ni87  1  0.988266  0.902158  0.526472  1
  Ni  Ni88  1  0.988266  0.925362  0.584817  1
  Ni  Ni89  1  0.488266  0.288756  0.562603  1
  Ni  Ni90  1  0.988266  0.651820  0.540613  1
  Ni  Ni91  1  0.988266  0.175304  0.571049  1
  Ni  Ni92  1  0.488266  0.538624  0.549112  1
  Ni  Ni93  1  0.488266  0.811963  0.593572  1
  Ni  Ni94  1  0.488266  0.835518  0.651549  1
  Ni  Ni95  1  0.988266  0.198558  0.629140  1
  Ni  Ni96  1  0.488266  0.561850  0.607598  1
  Ni  Ni97  1  0.488266  0.085152  0.637729  1
  Ni  Ni98  1  0.988266  0.448084  0.616152  1
  Ni  Ni99  1  0.988266  0.722606  0.659875  1
  Ni  Ni100  1  0.988266  0.738954  0.717568  1
  Ni  Ni101  1  0.488266  0.105129  0.695723  1
  Ni  Ni102  1  0.988266  0.468055  0.674606  1
  Ni  Ni103  1  0.988266  0.998189  0.703771  1
  Ni  Ni104  1  0.488266  0.358672  0.681805  1
  Ni  Ni105  1  0.488266  0.634391  0.724820  1
