# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90316094
_cell_length_b   14.55983251
_cell_length_c   52.85961817
_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   3773.60595923
_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  0.601037  0.771638  0.341138  1
  Al  Al2  1  0.642333  0.135542  0.281193  1
  Al  Al3  1  0.146033  0.775475  0.306170  1
  Al  Al4  1  0.137216  0.416556  0.367879  1
  Al  Al5  1  0.142531  0.891502  0.356727  1
  Al  Al6  1  0.139749  0.259594  0.296146  1
  Al  Al7  1  0.653262  0.807402  0.284941  1
  Al  Al8  1  0.635152  0.444106  0.348035  1
  Al  Al9  1  0.390407  0.962908  0.275953  1
  Al  Al10  1  0.351413  0.596138  0.335604  1
  Al  Al11  1  0.877594  0.146704  0.328261  1
  Al  Al12  1  0.847131  0.506255  0.265759  1
  Al  Al13  1  0.374549  0.072839  0.324852  1
  Al  Al14  1  0.335868  0.422565  0.264129  1
  Al  Al15  1  0.891696  0.982563  0.254661  1
  Al  Al16  1  0.850965  0.622920  0.315892  1
  Al  Al17  1  0.644910  0.966145  0.358912  1
  Al  Al18  1  0.644045  0.327434  0.296552  1
  Al  Al19  1  0.911567  0.961762  0.308862  1
  Al  Al20  1  0.894021  0.594401  0.372784  1
  Al  Al21  1  0.400037  0.263596  0.343118  1
  Al  Al22  1  0.385074  0.623217  0.279002  1
  Al  Al23  1  0.166173  0.801726  0.254216  1
  Al  Al24  1  0.087315  0.445795  0.312065  1
  Al  Al25  1  0.602094  0.056190  0.466747  1
  Al  Al26  1  0.601144  0.416260  0.403932  1
  Al  Al27  1  0.143774  0.056737  0.430237  1
  Al  Al28  1  0.141247  0.698077  0.492870  1
  Al  Al29  1  0.142195  0.174838  0.482308  1
  Al  Al30  1  0.138849  0.533848  0.419534  1
  Al  Al31  1  0.644134  0.084130  0.410767  1
  Al  Al32  1  0.641044  0.725323  0.473406  1
  Al  Al33  1  0.361638  0.236328  0.399015  1
  Al  Al34  1  0.359222  0.877514  0.461531  1
  Al  Al35  1  0.860166  0.427977  0.452760  1
  Al  Al36  1  0.857310  0.787190  0.389972  1
  Al  Al37  1  0.360567  0.354188  0.450984  1
  Al  Al38  1  0.357402  0.713953  0.388328  1
  Al  Al39  1  0.861396  0.262757  0.379954  1
  Al  Al40  1  0.859387  0.904899  0.442084  1
  Al  Al41  1  0.642146  0.248638  0.484025  1
  Al  Al42  1  0.638584  0.607683  0.421357  1
  Al  Al43  1  0.901146  0.235408  0.435518  1
  Al  Al44  1  0.899055  0.876929  0.497983  1
  Al  Al45  1  0.398501  0.546409  0.468253  1
  Al  Al46  1  0.401117  0.905572  0.405593  1
  Al  Al47  1  0.108717  0.083827  0.374239  1
  Al  Al48  1  0.100591  0.725967  0.436912  1
  Al  Al49  1  0.600224  0.338466  0.592020  1
  Al  Al50  1  0.602839  0.697630  0.529360  1
  Al  Al51  1  0.141953  0.339139  0.555529  1
  Al  Al52  1  0.139945  0.981282  0.617660  1
  Al  Al53  1  0.144031  0.456849  0.607641  1
  Al  Al54  1  0.141174  0.816061  0.544853  1
  Al  Al55  1  0.642119  0.366524  0.536083  1
  Al  Al56  1  0.639703  0.007710  0.598599  1
  Al  Al57  1  0.360297  0.518715  0.524208  1
  Al  Al58  1  0.357207  0.159908  0.586846  1
  Al  Al59  1  0.862492  0.710191  0.578080  1
  Al  Al60  1  0.859145  0.069200  0.515306  1
  Al  Al61  1  0.362757  0.636356  0.576257  1
  Al  Al62  1  0.359194  0.995401  0.513588  1
  Al  Al63  1  0.860094  0.545961  0.504744  1
  Al  Al64  1  0.857566  0.187301  0.567376  1
  Al  Al65  1  0.643939  0.530085  0.609286  1
  Al  Al66  1  0.640774  0.889850  0.546629  1
  Al  Al67  1  0.900750  0.518071  0.560701  1
  Al  Al68  1  0.892624  0.160211  0.623374  1
  Al  Al69  1  0.400197  0.827779  0.593682  1
  Al  Al70  1  0.399247  0.187849  0.530866  1
  Al  Al71  1  0.102286  0.367109  0.499630  1
  Al  Al72  1  0.100194  0.008631  0.562095  1
  Al  Al73  1  0.616267  0.620821  0.718611  1
  Al  Al74  1  0.601304  0.980442  0.654495  1
  Al  Al75  1  0.150376  0.621119  0.681722  1
  Al  Al76  1  0.109645  0.261476  0.742952  1
  Al  Al77  1  0.154210  0.737784  0.731854  1
  Al  Al78  1  0.123746  0.097335  0.669352  1
  Al  Al79  1  0.649928  0.647900  0.662009  1
  Al  Al80  1  0.610933  0.281130  0.721660  1
  Al  Al81  1  0.366188  0.799932  0.649578  1
  Al  Al82  1  0.348079  0.436637  0.712672  1
  Al  Al83  1  0.861591  0.984445  0.701467  1
  Al  Al84  1  0.858810  0.352536  0.640886  1
  Al  Al85  1  0.357295  0.916604  0.701062  1
  Al  Al86  1  0.356431  0.277893  0.638701  1
  Al  Al87  1  0.864125  0.827482  0.629735  1
  Al  Al88  1  0.855308  0.468563  0.691443  1
  Al  Al89  1  0.665473  0.821473  0.733484  1
  Al  Al90  1  0.626792  0.171200  0.672762  1
  Al  Al91  1  0.914025  0.798244  0.685548  1
  Al  Al92  1  0.835167  0.442313  0.743397  1
  Al  Al93  1  0.359007  0.108497  0.716420  1
  Al  Al94  1  0.400303  0.472401  0.656475  1
  Al  Al95  1  0.107319  0.649637  0.624830  1
  Al  Al96  1  0.089774  0.282276  0.688751  1
  Ni  Ni97  1  0.128750  0.100971  0.283874  1
  Ni  Ni98  1  0.081437  0.726241  0.349725  1
  Ni  Ni99  1  0.428586  0.906728  0.318985  1
  Ni  Ni100  1  0.393502  0.250265  0.257751  1
  Ni  Ni101  1  0.899170  0.671971  0.271818  1
  Ni  Ni102  1  0.912385  0.311810  0.336024  1
  Ni  Ni103  1  0.591128  0.130931  0.366230  1
  Ni  Ni104  1  0.568759  0.490637  0.303845  1
  Ni  Ni105  1  0.085980  0.368741  0.412229  1
  Ni  Ni106  1  0.086410  0.010077  0.474690  1
  Ni  Ni107  1  0.416569  0.189305  0.443428  1
  Ni  Ni108  1  0.409590  0.549615  0.380452  1
  Ni  Ni109  1  0.917589  0.951537  0.397625  1
  Ni  Ni110  1  0.913940  0.592857  0.460238  1
  Ni  Ni111  1  0.586655  0.413456  0.491622  1
  Ni  Ni112  1  0.585331  0.772357  0.428967  1
  Ni  Ni113  1  0.087400  0.651181  0.537375  1
  Ni  Ni114  1  0.083751  0.292501  0.599988  1
  Ni  Ni115  1  0.416009  0.471681  0.568646  1
  Ni  Ni116  1  0.414686  0.830583  0.505991  1
  Ni  Ni117  1  0.914931  0.233961  0.522923  1
  Ni  Ni118  1  0.915361  0.875298  0.585384  1
  Ni  Ni119  1  0.591751  0.694423  0.617161  1
  Ni  Ni120  1  0.584771  0.054733  0.554185  1
  Ni  Ni121  1  0.088956  0.932229  0.661589  1
  Ni  Ni122  1  0.102171  0.572068  0.725795  1
  Ni  Ni123  1  0.432581  0.753402  0.693768  1
  Ni  Ni124  1  0.410213  0.113107  0.631383  1
  Ni  Ni125  1  0.919903  0.517798  0.647888  1
  Ni  Ni126  1  0.872591  0.143067  0.713739  1
  Ni  Ni127  1  0.607839  0.993773  0.739862  1
  Ni  Ni128  1  0.572755  0.337310  0.678628  1
