# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51984721
_cell_length_b   11.54591659
_cell_length_c   48.83621435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al96 Ni32'
_cell_volume   4240.13245831
_cell_formula_units_Z   32
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  0.755992  0.224796  0.361615  1
  Al  Al2  1  0.755992  0.572437  0.308935  1
  Al  Al3  1  0.558915  0.339991  0.313409  1
  Al  Al4  1  0.558287  0.994931  0.371590  1
  Al  Al5  1  0.953068  0.339991  0.313409  1
  Al  Al6  1  0.953696  0.994931  0.371590  1
  Al  Al7  1  0.454687  0.120774  0.329812  1
  Al  Al8  1  0.455735  0.779901  0.384827  1
  Al  Al9  1  0.559948  0.091612  0.278885  1
  Al  Al10  1  0.554404  0.749909  0.332662  1
  Al  Al11  1  0.058368  0.868230  0.289643  1
  Al  Al12  1  0.057255  0.529382  0.343374  1
  Al  Al13  1  0.952035  0.091612  0.278885  1
  Al  Al14  1  0.957579  0.749909  0.332662  1
  Al  Al15  1  0.453615  0.868230  0.289643  1
  Al  Al16  1  0.454728  0.529382  0.343374  1
  Al  Al17  1  0.057296  0.120774  0.329812  1
  Al  Al18  1  0.056248  0.779901  0.384827  1
  Al  Al19  1  0.755992  0.959696  0.322755  1
  Al  Al20  1  0.755992  0.616789  0.376471  1
  Al  Al21  1  0.255992  0.303342  0.351832  1
  Al  Al22  1  0.255992  0.650302  0.301414  1
  Al  Al23  1  0.255992  0.239150  0.289203  1
  Al  Al24  1  0.255992  0.904581  0.337884  1
  Al  Al25  1  0.755992  0.537999  0.472487  1
  Al  Al26  1  0.755992  0.882201  0.417244  1
  Al  Al27  1  0.558099  0.652581  0.427670  1
  Al  Al28  1  0.557636  0.312251  0.483616  1
  Al  Al29  1  0.953884  0.652581  0.427670  1
  Al  Al30  1  0.954347  0.312251  0.483616  1
  Al  Al31  1  0.453340  0.435399  0.439335  1
  Al  Al32  1  0.453952  0.096220  0.496047  1
  Al  Al33  1  0.556955  0.405820  0.386362  1
  Al  Al34  1  0.557181  0.064106  0.443028  1
  Al  Al35  1  0.055488  0.189010  0.398571  1
  Al  Al36  1  0.057074  0.846547  0.455109  1
  Al  Al37  1  0.955028  0.405820  0.386362  1
  Al  Al38  1  0.954802  0.064106  0.443028  1
  Al  Al39  1  0.456495  0.189010  0.398571  1
  Al  Al40  1  0.454909  0.846547  0.455109  1
  Al  Al41  1  0.058643  0.435399  0.439335  1
  Al  Al42  1  0.058031  0.096220  0.496047  1
  Al  Al43  1  0.755992  0.277165  0.434251  1
  Al  Al44  1  0.755992  0.935090  0.490225  1
  Al  Al45  1  0.255992  0.617206  0.465940  1
  Al  Al46  1  0.255992  0.960329  0.410389  1
  Al  Al47  1  0.255992  0.564363  0.392868  1
  Al  Al48  1  0.255992  0.222868  0.447953  1
  Al  Al49  1  0.755992  0.856077  0.584378  1
  Al  Al50  1  0.755992  0.199200  0.528828  1
  Al  Al51  1  0.557074  0.969859  0.539659  1
  Al  Al52  1  0.555488  0.627395  0.596196  1
  Al  Al53  1  0.954909  0.969859  0.539659  1
  Al  Al54  1  0.956495  0.627395  0.596196  1
  Al  Al55  1  0.454802  0.752300  0.551740  1
  Al  Al56  1  0.455028  0.410586  0.608406  1
  Al  Al57  1  0.558031  0.720186  0.498720  1
  Al  Al58  1  0.558643  0.381007  0.555433  1
  Al  Al59  1  0.057636  0.504155  0.511151  1
  Al  Al60  1  0.058099  0.163825  0.567097  1
  Al  Al61  1  0.953952  0.720186  0.498720  1
  Al  Al62  1  0.953340  0.381007  0.555433  1
  Al  Al63  1  0.454347  0.504155  0.511151  1
  Al  Al64  1  0.453884  0.163825  0.567097  1
  Al  Al65  1  0.057181  0.752300  0.551740  1
  Al  Al66  1  0.056955  0.410586  0.608406  1
  Al  Al67  1  0.755992  0.593538  0.546815  1
  Al  Al68  1  0.755992  0.252043  0.601900  1
  Al  Al69  1  0.255992  0.934205  0.577524  1
  Al  Al70  1  0.255992  0.278407  0.522280  1
  Al  Al71  1  0.255992  0.881316  0.504542  1
  Al  Al72  1  0.255992  0.539241  0.560516  1
  Al  Al73  1  0.755992  0.166104  0.693354  1
  Al  Al74  1  0.755992  0.513064  0.642935  1
  Al  Al75  1  0.557255  0.287023  0.651394  1
  Al  Al76  1  0.558368  0.948176  0.705125  1
  Al  Al77  1  0.954728  0.287023  0.651394  1
  Al  Al78  1  0.953615  0.948176  0.705125  1
  Al  Al79  1  0.457579  0.066497  0.662105  1
  Al  Al80  1  0.452035  0.724794  0.715883  1
  Al  Al81  1  0.556248  0.036505  0.609941  1
  Al  Al82  1  0.557296  0.695632  0.664956  1
  Al  Al83  1  0.058287  0.821475  0.623177  1
  Al  Al84  1  0.058915  0.476414  0.681358  1
  Al  Al85  1  0.955735  0.036505  0.609941  1
  Al  Al86  1  0.954687  0.695632  0.664956  1
  Al  Al87  1  0.453696  0.821475  0.623177  1
  Al  Al88  1  0.453068  0.476414  0.681358  1
  Al  Al89  1  0.054404  0.066497  0.662105  1
  Al  Al90  1  0.059948  0.724794  0.715883  1
  Al  Al91  1  0.755992  0.911825  0.656884  1
  Al  Al92  1  0.755992  0.577256  0.705565  1
  Al  Al93  1  0.255992  0.243969  0.685832  1
  Al  Al94  1  0.255992  0.591610  0.633152  1
  Al  Al95  1  0.255992  0.199617  0.618297  1
  Al  Al96  1  0.255992  0.856710  0.672013  1
  Ni  Ni97  1  0.755992  0.436837  0.347492  1
  Ni  Ni98  1  0.755992  0.783683  0.293383  1
  Ni  Ni99  1  0.755992  0.170135  0.313881  1
  Ni  Ni100  1  0.755992  0.829307  0.367330  1
  Ni  Ni101  1  0.255992  0.080366  0.367767  1
  Ni  Ni102  1  0.255992  0.433119  0.309624  1
  Ni  Ni103  1  0.255992  0.031771  0.295010  1
  Ni  Ni104  1  0.255992  0.695428  0.350356  1
  Ni  Ni105  1  0.755992  0.759421  0.459811  1
  Ni  Ni106  1  0.755992  0.100916  0.404080  1
  Ni  Ni107  1  0.755992  0.486949  0.422118  1
  Ni  Ni108  1  0.755992  0.145716  0.478836  1
  Ni  Ni109  1  0.255992  0.397231  0.478757  1
  Ni  Ni110  1  0.255992  0.738885  0.423352  1
  Ni  Ni111  1  0.255992  0.353533  0.402952  1
  Ni  Ni112  1  0.255992  0.012960  0.460341  1
  Ni  Ni113  1  0.755992  0.077521  0.571416  1
  Ni  Ni114  1  0.755992  0.419175  0.516010  1
  Ni  Ni115  1  0.755992  0.803446  0.534427  1
  Ni  Ni116  1  0.755992  0.462872  0.591816  1
  Ni  Ni117  1  0.255992  0.715490  0.590687  1
  Ni  Ni118  1  0.255992  0.056985  0.534956  1
  Ni  Ni119  1  0.255992  0.670690  0.515931  1
  Ni  Ni120  1  0.255992  0.329457  0.572649  1
  Ni  Ni121  1  0.755992  0.383287  0.685143  1
  Ni  Ni122  1  0.755992  0.736039  0.627001  1
  Ni  Ni123  1  0.755992  0.120978  0.644412  1
  Ni  Ni124  1  0.755992  0.784634  0.699758  1
  Ni  Ni125  1  0.255992  0.032723  0.701385  1
  Ni  Ni126  1  0.255992  0.379569  0.647276  1
  Ni  Ni127  1  0.255992  0.987099  0.627438  1
  Ni  Ni128  1  0.255992  0.646270  0.680887  1
