# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02471892
_cell_length_b   12.61269973
_cell_length_c   60.41072652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al40 Ni120'
_cell_volume   3828.54616384
_cell_formula_units_Z   40
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  0.551522  0.522898  0.295908  1
  Al  Al2  1  0.551522  0.123415  0.241729  1
  Al  Al3  1  1.051522  0.946828  0.227467  1
  Al  Al4  1  1.051522  0.336717  0.280168  1
  Al  Al5  1  1.051522  0.623415  0.241729  1
  Al  Al6  1  1.051522  0.022898  0.295908  1
  Al  Al7  1  0.551522  0.836717  0.280168  1
  Al  Al8  1  0.551522  0.446828  0.227467  1
  Al  Al9  1  0.551522  0.288358  0.380199  1
  Al  Al10  1  0.551522  0.918357  0.349468  1
  Al  Al11  1  1.051522  0.707784  0.311138  1
  Al  Al12  1  1.051522  0.103381  0.364891  1
  Al  Al13  1  1.051522  0.418357  0.349468  1
  Al  Al14  1  1.051522  0.788358  0.380199  1
  Al  Al15  1  0.551522  0.603381  0.364891  1
  Al  Al16  1  0.551522  0.207784  0.311138  1
  Al  Al17  1  0.551522  0.079215  0.487833  1
  Al  Al18  1  0.551522  0.683785  0.434001  1
  Al  Al19  1  1.051522  0.498819  0.418667  1
  Al  Al20  1  1.051522  0.868750  0.449326  1
  Al  Al21  1  1.051522  0.183785  0.434001  1
  Al  Al22  1  1.051522  0.579215  0.487833  1
  Al  Al23  1  0.551522  0.368750  0.449326  1
  Al  Al24  1  0.551522  -0.001181  0.418667  1
  Al  Al25  1  0.551522  0.844508  0.572237  1
  Al  Al26  1  0.551522  0.449140  0.518484  1
  Al  Al27  1  1.051522  0.264159  0.503134  1
  Al  Al28  1  1.051522  0.659647  0.557006  1
  Al  Al29  1  1.051522  0.949140  0.518484  1
  Al  Al30  1  1.051522  0.344508  0.572237  1
  Al  Al31  1  0.551522  0.159647  0.557006  1
  Al  Al32  1  0.551522  0.764159  0.503134  1
  Al  Al33  1  0.551522  0.611111  0.656458  1
  Al  Al34  1  0.551522  0.240477  0.626405  1
  Al  Al35  1  1.051522  0.029706  0.587661  1
  Al  Al36  1  1.051522  0.425598  0.640930  1
  Al  Al37  1  1.051522  0.740477  0.626405  1
  Al  Al38  1  1.051522  0.111111  0.656458  1
  Al  Al39  1  0.551522  0.925598  0.640930  1
  Al  Al40  1  0.551522  0.529706  0.587661  1
  Ni  Ni41  1  0.802022  0.377709  0.314558  1
  Ni  Ni42  1  0.801158  0.981780  0.261841  1
  Ni  Ni43  1  1.051522  0.522655  0.295982  1
  Ni  Ni44  1  1.051522  0.127327  0.242610  1
  Ni  Ni45  1  0.301022  0.377709  0.314558  1
  Ni  Ni46  1  0.301886  0.981780  0.261841  1
  Ni  Ni47  1  0.299168  0.795529  0.245149  1
  Ni  Ni48  1  0.302659  0.167303  0.276981  1
  Ni  Ni49  1  0.551522  0.939175  0.227289  1
  Ni  Ni50  1  0.551522  0.337760  0.279964  1
  Ni  Ni51  1  0.803876  0.795529  0.245149  1
  Ni  Ni52  1  0.800385  0.167303  0.276981  1
  Ni  Ni53  1  0.301158  0.481780  0.261841  1
  Ni  Ni54  1  0.302022  0.877709  0.314558  1
  Ni  Ni55  1  0.551522  0.627327  0.242610  1
  Ni  Ni56  1  0.551522  0.022655  0.295982  1
  Ni  Ni57  1  0.801886  0.481780  0.261841  1
  Ni  Ni58  1  0.801022  0.877709  0.314558  1
  Ni  Ni59  1  0.802659  0.667303  0.276981  1
  Ni  Ni60  1  0.799168  0.295529  0.245149  1
  Ni  Ni61  1  1.051522  0.837760  0.279964  1
  Ni  Ni62  1  1.051522  0.439175  0.227289  1
  Ni  Ni63  1  0.300385  0.667303  0.276981  1
  Ni  Ni64  1  0.303876  0.295529  0.245149  1
  Ni  Ni65  1  0.801472  0.143590  0.399440  1
  Ni  Ni66  1  0.801917  0.748372  0.345970  1
  Ni  Ni67  1  1.051522  0.287649  0.380645  1
  Ni  Ni68  1  1.051522  0.918998  0.349048  1
  Ni  Ni69  1  0.301572  0.143590  0.399440  1
  Ni  Ni70  1  0.301126  0.748372  0.345970  1
  Ni  Ni71  1  0.301586  0.563128  0.330384  1
  Ni  Ni72  1  0.301966  0.958383  0.383753  1
  Ni  Ni73  1  0.551522  0.707171  0.311554  1
  Ni  Ni74  1  0.551522  0.103400  0.364894  1
  Ni  Ni75  1  0.801458  0.563128  0.330384  1
  Ni  Ni76  1  0.801078  0.958383  0.383753  1
  Ni  Ni77  1  0.301917  0.248372  0.345970  1
  Ni  Ni78  1  0.301472  0.643590  0.399440  1
  Ni  Ni79  1  0.551522  0.418998  0.349048  1
  Ni  Ni80  1  0.551522  0.787649  0.380645  1
  Ni  Ni81  1  0.801126  0.248372  0.345970  1
  Ni  Ni82  1  0.801572  0.643590  0.399440  1
  Ni  Ni83  1  0.801966  0.458383  0.383753  1
  Ni  Ni84  1  0.801586  0.063128  0.330384  1
  Ni  Ni85  1  1.051522  0.603400  0.364894  1
  Ni  Ni86  1  1.051522  0.207171  0.311554  1
  Ni  Ni87  1  0.301078  0.458383  0.383753  1
  Ni  Ni88  1  0.301458  0.063128  0.330384  1
  Ni  Ni89  1  0.801960  0.909151  0.484229  1
  Ni  Ni90  1  0.801953  0.538810  0.452924  1
  Ni  Ni91  1  1.051522  0.079953  0.487378  1
  Ni  Ni92  1  1.051522  0.683786  0.434003  1
  Ni  Ni93  1  0.301084  0.909151  0.484229  1
  Ni  Ni94  1  0.301091  0.538810  0.452924  1
  Ni  Ni95  1  0.301947  0.328776  0.415082  1
  Ni  Ni96  1  0.301461  0.723969  0.468570  1
  Ni  Ni97  1  0.551522  0.499548  0.418213  1
  Ni  Ni98  1  0.551522  0.868014  0.449783  1
  Ni  Ni99  1  0.801097  0.328776  0.415082  1
  Ni  Ni100  1  0.801583  0.723969  0.468570  1
  Ni  Ni101  1  0.301953  0.038810  0.452924  1
  Ni  Ni102  1  0.301960  0.409151  0.484229  1
  Ni  Ni103  1  0.551522  0.183786  0.434003  1
  Ni  Ni104  1  0.551522  0.579953  0.487378  1
  Ni  Ni105  1  0.801091  0.038810  0.452924  1
  Ni  Ni106  1  0.801084  0.409151  0.484229  1
  Ni  Ni107  1  0.801461  0.223969  0.468570  1
  Ni  Ni108  1  0.801947  0.828776  0.415082  1
  Ni  Ni109  1  1.051522  0.368014  0.449783  1
  Ni  Ni110  1  1.051522  -0.000452  0.418213  1
  Ni  Ni111  1  0.301583  0.223969  0.468570  1
  Ni  Ni112  1  0.301097  0.828776  0.415082  1
  Ni  Ni113  1  0.802198  0.699749  0.591301  1
  Ni  Ni114  1  0.801500  0.304341  0.537690  1
  Ni  Ni115  1  1.051522  0.844518  0.572217  1
  Ni  Ni116  1  1.051522  0.448424  0.518937  1
  Ni  Ni117  1  0.300846  0.699749  0.591301  1
  Ni  Ni118  1  0.301544  0.304341  0.537690  1
  Ni  Ni119  1  0.301939  0.119205  0.522092  1
  Ni  Ni120  1  0.301932  0.489583  0.553398  1
  Ni  Ni121  1  0.551522  0.264143  0.503137  1
  Ni  Ni122  1  0.551522  0.660390  0.556560  1
  Ni  Ni123  1  0.801105  0.119205  0.522092  1
  Ni  Ni124  1  0.801112  0.489583  0.553398  1
  Ni  Ni125  1  0.301500  0.804341  0.537690  1
  Ni  Ni126  1  0.302198  0.199749  0.591301  1
  Ni  Ni127  1  0.551522  0.948424  0.518937  1
  Ni  Ni128  1  0.551522  0.344518  0.572217  1
  Ni  Ni129  1  0.801544  0.804341  0.537690  1
  Ni  Ni130  1  0.800846  0.199749  0.591301  1
  Ni  Ni131  1  0.801932  0.989583  0.553398  1
  Ni  Ni132  1  0.801939  0.619205  0.522092  1
  Ni  Ni133  1  1.051522  0.160390  0.556560  1
  Ni  Ni134  1  1.051522  0.764143  0.503137  1
  Ni  Ni135  1  0.301112  0.989583  0.553398  1
  Ni  Ni136  1  0.301105  0.619205  0.522092  1
  Ni  Ni137  1  0.801247  0.466015  0.675700  1
  Ni  Ni138  1  0.801906  0.070360  0.622534  1
  Ni  Ni139  1  1.051522  0.610676  0.657327  1
  Ni  Ni140  1  1.051522  0.241792  0.625700  1
  Ni  Ni141  1  0.301797  0.466015  0.675700  1
  Ni  Ni142  1  0.301137  0.070360  0.622534  1
  Ni  Ni143  1  0.301243  0.884773  0.606701  1
  Ni  Ni144  1  0.300260  0.281044  0.661324  1
  Ni  Ni145  1  0.551522  0.028933  0.588108  1
  Ni  Ni146  1  0.551522  0.424321  0.641023  1
  Ni  Ni147  1  0.801801  0.884773  0.606701  1
  Ni  Ni148  1  0.802783  0.281044  0.661324  1
  Ni  Ni149  1  0.301906  0.570360  0.622534  1
  Ni  Ni150  1  0.301247  0.966015  0.675700  1
  Ni  Ni151  1  0.551522  0.741792  0.625700  1
  Ni  Ni152  1  0.551522  0.110676  0.657327  1
  Ni  Ni153  1  0.801137  0.570360  0.622534  1
  Ni  Ni154  1  0.801797  0.966015  0.675700  1
  Ni  Ni155  1  0.800260  0.781044  0.661324  1
  Ni  Ni156  1  0.801243  0.384773  0.606701  1
  Ni  Ni157  1  1.051522  0.924321  0.641023  1
  Ni  Ni158  1  1.051522  0.528933  0.588108  1
  Ni  Ni159  1  0.302783  0.781044  0.661324  1
  Ni  Ni160  1  0.301801  0.384773  0.606701  1
