# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92514886
_cell_length_b   12.38443886
_cell_length_c   48.77438075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4541.47346056
_cell_formula_units_Z   48
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  0.378305  0.807053  0.324574  1
  Al  Al2  1  0.165735  0.381557  0.283600  1
  Al  Al3  1  0.050686  0.651308  0.272167  1
  Al  Al4  1  0.269479  0.089706  0.311161  1
  Al  Al5  1  0.550686  0.651308  0.272167  1
  Al  Al6  1  0.769479  0.089706  0.311161  1
  Al  Al7  1  0.878305  0.807053  0.324574  1
  Al  Al8  1  0.665735  0.381557  0.283600  1
  Al  Al9  1  0.813744  0.686237  0.396185  1
  Al  Al10  1  0.604679  0.261846  0.365983  1
  Al  Al11  1  0.481859  0.517383  0.351983  1
  Al  Al12  1  0.701138  0.961169  0.387655  1
  Al  Al13  1  0.981859  0.517383  0.351983  1
  Al  Al14  1  0.201138  0.961169  0.387655  1
  Al  Al15  1  0.313744  0.686237  0.396185  1
  Al  Al16  1  0.104679  0.261846  0.365983  1
  Al  Al17  1  0.249772  0.560648  0.479038  1
  Al  Al18  1  0.036212  0.132534  0.445844  1
  Al  Al19  1  0.918019  0.395705  0.435258  1
  Al  Al20  1  0.128747  0.819800  0.465730  1
  Al  Al21  1  0.418019  0.395705  0.435258  1
  Al  Al22  1  0.628747  0.819800  0.465730  1
  Al  Al23  1  0.749772  0.560648  0.479038  1
  Al  Al24  1  0.536212  0.132534  0.445844  1
  Al  Al25  1  0.691267  0.443650  0.563734  1
  Al  Al26  1  0.458245  0.980582  0.512712  1
  Al  Al27  1  0.358007  0.276173  0.517676  1
  Al  Al28  1  0.566159  0.694419  0.550063  1
  Al  Al29  1  0.858007  0.276173  0.517676  1
  Al  Al30  1  0.066159  0.694419  0.550063  1
  Al  Al31  1  0.191267  0.443650  0.563734  1
  Al  Al32  1  0.958245  0.980582  0.512712  1
  Al  Al33  1  0.136020  0.332777  0.649476  1
  Al  Al34  1  0.899363  0.861035  0.592847  1
  Al  Al35  1  0.783018  0.129768  0.579337  1
  Al  Al36  1  0.009182  0.579704  0.635793  1
  Al  Al37  1  0.283018  0.129768  0.579337  1
  Al  Al38  1  0.509182  0.579704  0.635793  1
  Al  Al39  1  0.636020  0.332777  0.649476  1
  Al  Al40  1  0.399363  0.861035  0.592847  1
  Al  Al41  1  0.564478  0.190705  0.702350  1
  Al  Al42  1  0.352504  0.766964  0.675672  1
  Al  Al43  1  0.224593  0.011254  0.659450  1
  Al  Al44  1  0.472704  0.507602  0.717348  1
  Al  Al45  1  0.724593  0.011254  0.659450  1
  Al  Al46  1  0.972704  0.507602  0.717348  1
  Al  Al47  1  0.064478  0.190705  0.702350  1
  Al  Al48  1  0.852504  0.766964  0.675672  1
  Ni  Ni49  1  0.683129  0.917504  0.338543  1
  Ni  Ni50  1  0.463617  0.477864  0.302590  1
  Ni  Ni51  1  0.272428  0.595058  0.300396  1
  Ni  Ni52  1  0.055273  0.159302  0.276599  1
  Ni  Ni53  1  0.961798  0.974240  0.296585  1
  Ni  Ni54  1  0.188110  0.428528  0.330942  1
  Ni  Ni55  1  0.361731  0.774071  0.277269  1
  Ni  Ni56  1  0.586113  0.222672  0.318228  1
  Ni  Ni57  1  0.152118  0.855158  0.293191  1
  Ni  Ni58  1  0.380824  0.313168  0.335027  1
  Ni  Ni59  1  0.066190  0.683051  0.319475  1
  Ni  Ni60  1  0.860038  0.269353  0.289113  1
  Ni  Ni61  1  0.861731  0.774071  0.277269  1
  Ni  Ni62  1  0.086113  0.222672  0.318228  1
  Ni  Ni63  1  0.652118  0.855158  0.293191  1
  Ni  Ni64  1  0.880824  0.313168  0.335027  1
  Ni  Ni65  1  0.566190  0.683051  0.319475  1
  Ni  Ni66  1  0.360038  0.269353  0.289113  1
  Ni  Ni67  1  0.183129  0.917504  0.338543  1
  Ni  Ni68  1  0.963617  0.477864  0.302590  1
  Ni  Ni69  1  0.772428  0.595058  0.300396  1
  Ni  Ni70  1  0.555273  0.159302  0.276599  1
  Ni  Ni71  1  0.461798  0.974240  0.296585  1
  Ni  Ni72  1  0.688110  0.428528  0.330942  1
  Ni  Ni73  1  0.109976  0.780207  0.416085  1
  Ni  Ni74  1  0.900529  0.355381  0.385657  1
  Ni  Ni75  1  0.707008  0.469152  0.381929  1
  Ni  Ni76  1  0.494691  0.039960  0.343383  1
  Ni  Ni77  1  0.405084  0.867407  0.370496  1
  Ni  Ni78  1  0.622643  0.303859  0.414935  1
  Ni  Ni79  1  0.788393  0.630923  0.347865  1
  Ni  Ni80  1  0.013618  0.086518  0.394485  1
  Ni  Ni81  1  0.593712  0.744511  0.365743  1
  Ni  Ni82  1  0.811263  0.182264  0.412593  1
  Ni  Ni83  1  0.502732  0.563464  0.401776  1
  Ni  Ni84  1  0.293172  0.137898  0.361493  1
  Ni  Ni85  1  0.288393  0.630923  0.347865  1
  Ni  Ni86  1  0.513618  0.086518  0.394485  1
  Ni  Ni87  1  0.093712  0.744511  0.365743  1
  Ni  Ni88  1  0.311263  0.182264  0.412593  1
  Ni  Ni89  1  1.002732  0.563464  0.401776  1
  Ni  Ni90  1  0.793172  0.137898  0.361493  1
  Ni  Ni91  1  0.609976  0.780207  0.416085  1
  Ni  Ni92  1  0.400529  0.355381  0.385657  1
  Ni  Ni93  1  0.207008  0.469152  0.381929  1
  Ni  Ni94  1  0.994691  0.039960  0.343383  1
  Ni  Ni95  1  0.905084  0.867407  0.370496  1
  Ni  Ni96  1  0.122643  0.303859  0.414935  1
  Ni  Ni97  1  0.545411  0.652668  0.500233  1
  Ni  Ni98  1  0.335416  0.231314  0.467351  1
  Ni  Ni99  1  0.142929  0.346166  0.465695  1
  Ni  Ni100  1  0.919657  0.899671  0.418115  1
  Ni  Ni101  1  0.831834  0.725270  0.445518  1
  Ni  Ni102  1  0.059690  0.179117  0.496927  1
  Ni  Ni103  1  0.229236  0.518509  0.429224  1
  Ni  Ni104  1  0.438417  0.939771  0.464327  1
  Ni  Ni105  1  0.024592  0.610167  0.449605  1
  Ni  Ni106  1  0.238594  0.041254  0.483447  1
  Ni  Ni107  1  0.939560  0.439602  0.485369  1
  Ni  Ni108  1  0.718687  0.998768  0.436391  1
  Ni  Ni109  1  0.729236  0.518509  0.429224  1
  Ni  Ni110  1  0.938417  0.939771  0.464327  1
  Ni  Ni111  1  0.524592  0.610167  0.449605  1
  Ni  Ni112  1  0.738594  0.041254  0.483447  1
  Ni  Ni113  1  0.439560  0.439602  0.485369  1
  Ni  Ni114  1  0.218687  0.998768  0.436391  1
  Ni  Ni115  1  0.045411  0.652668  0.500233  1
  Ni  Ni116  1  0.835416  0.231314  0.467351  1
  Ni  Ni117  1  0.642929  0.346166  0.465695  1
  Ni  Ni118  1  0.419657  0.899671  0.418115  1
  Ni  Ni119  1  0.331834  0.725270  0.445518  1
  Ni  Ni120  1  0.559690  0.179117  0.496927  1
  Ni  Ni121  1  0.987052  0.535574  0.585229  1
  Ni  Ni122  1  0.756372  0.077620  0.531608  1
  Ni  Ni123  1  0.581690  0.223646  0.548355  1
  Ni  Ni124  1  0.353046  0.768558  0.495655  1
  Ni  Ni125  1  0.271162  0.603918  0.528661  1
  Ni  Ni126  1  0.481423  0.025918  0.560783  1
  Ni  Ni127  1  0.668670  0.398201  0.513804  1
  Ni  Ni128  1  0.875537  0.813957  0.543367  1
  Ni  Ni129  1  0.463315  0.487834  0.533372  1
  Ni  Ni130  1  0.674594  0.911830  0.562827  1
  Ni  Ni131  1  0.384296  0.329001  0.568370  1
  Ni  Ni132  1  0.147843  0.858818  0.515680  1
  Ni  Ni133  1  0.168670  0.398201  0.513804  1
  Ni  Ni134  1  0.375537  0.813957  0.543367  1
  Ni  Ni135  1  0.963315  0.487834  0.533372  1
  Ni  Ni136  1  0.174594  0.911830  0.562827  1
  Ni  Ni137  1  0.884296  0.329001  0.568370  1
  Ni  Ni138  1  0.647843  0.858818  0.515680  1
  Ni  Ni139  1  0.487052  0.535574  0.585229  1
  Ni  Ni140  1  0.256372  0.077620  0.531608  1
  Ni  Ni141  1  0.081690  0.223646  0.548355  1
  Ni  Ni142  1  0.853046  0.768558  0.495655  1
  Ni  Ni143  1  0.771162  0.603918  0.528661  1
  Ni  Ni144  1  0.981423  0.025918  0.560783  1
  Ni  Ni145  1  0.431848  0.425229  0.672201  1
  Ni  Ni146  1  0.197573  0.957921  0.611334  1
  Ni  Ni147  1  1.005238  0.073848  0.608877  1
  Ni  Ni148  1  0.793822  0.649445  0.579682  1
  Ni  Ni149  1  0.715509  0.492088  0.613635  1
  Ni  Ni150  1  0.927593  0.916857  0.641151  1
  Ni  Ni151  1  0.106834  0.274490  0.598104  1
  Ni  Ni152  1  0.319066  0.699909  0.627466  1
  Ni  Ni153  1  0.907450  0.375703  0.616782  1
  Ni  Ni154  1  0.119017  0.799774  0.646439  1
  Ni  Ni155  1  0.808175  0.179854  0.627320  1
  Ni  Ni156  1  0.589235  0.740191  0.599997  1
  Ni  Ni157  1  0.606834  0.274490  0.598104  1
  Ni  Ni158  1  0.819066  0.699909  0.627466  1
  Ni  Ni159  1  0.407450  0.375703  0.616782  1
  Ni  Ni160  1  0.619017  0.799774  0.646439  1
  Ni  Ni161  1  0.308175  0.179854  0.627320  1
  Ni  Ni162  1  0.089235  0.740191  0.599997  1
  Ni  Ni163  1  0.931848  0.425229  0.672201  1
  Ni  Ni164  1  0.697573  0.957921  0.611334  1
  Ni  Ni165  1  0.505238  0.073848  0.608877  1
  Ni  Ni166  1  0.293822  0.649445  0.579682  1
  Ni  Ni167  1  0.215509  0.492088  0.613635  1
  Ni  Ni168  1  0.427593  0.916857  0.641151  1
  Ni  Ni169  1  0.870222  0.302553  0.714701  1
  Ni  Ni170  1  0.651822  0.866301  0.696024  1
  Ni  Ni171  1  0.458846  0.979551  0.689997  1
  Ni  Ni172  1  0.242920  0.547162  0.667144  1
  Ni  Ni173  1  0.168830  0.399430  0.699741  1
  Ni  Ni174  1  0.380431  0.824755  0.721814  1
  Ni  Ni175  1  0.531644  0.126041  0.655118  1
  Ni  Ni176  1  0.781643  0.626196  0.711876  1
  Ni  Ni177  1  0.330211  0.222557  0.673217  1
  Ni  Ni178  1  0.577354  0.718264  0.726119  1
  Ni  Ni179  1  0.255122  0.071331  0.706382  1
  Ni  Ni180  1  0.044378  0.650344  0.682692  1
  Ni  Ni181  1  0.031644  0.126041  0.655118  1
  Ni  Ni182  1  0.281643  0.626196  0.711876  1
  Ni  Ni183  1  0.830211  0.222557  0.673217  1
  Ni  Ni184  1  0.077354  0.718264  0.726119  1
  Ni  Ni185  1  0.755122  0.071331  0.706382  1
  Ni  Ni186  1  0.544378  0.650344  0.682692  1
  Ni  Ni187  1  0.370222  0.302553  0.714701  1
  Ni  Ni188  1  0.151822  0.866301  0.696024  1
  Ni  Ni189  1  0.958846  0.979551  0.689997  1
  Ni  Ni190  1  0.742920  0.547162  0.667144  1
  Ni  Ni191  1  0.668830  0.399430  0.699741  1
  Ni  Ni192  1  0.880431  0.824755  0.721814  1
