# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01684175
_cell_length_b   12.48581909
_cell_length_c   49.25524309
_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   4677.28755144
_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  0.379409  0.816915  0.326096  1
  Al  Al2  1  0.166658  0.386945  0.278778  1
  Al  Al3  1  0.047785  0.652104  0.270164  1
  Al  Al4  1  0.265141  0.089573  0.311022  1
  Al  Al5  1  0.547785  0.652104  0.270164  1
  Al  Al6  1  0.765141  0.089573  0.311022  1
  Al  Al7  1  0.879409  0.816915  0.326096  1
  Al  Al8  1  0.666658  0.386945  0.278778  1
  Al  Al9  1  0.813889  0.688244  0.398382  1
  Al  Al10  1  0.600900  0.260711  0.365280  1
  Al  Al11  1  0.481192  0.521226  0.350263  1
  Al  Al12  1  0.702913  0.965928  0.390187  1
  Al  Al13  1  0.981192  0.521226  0.350263  1
  Al  Al14  1  0.202913  0.965928  0.390187  1
  Al  Al15  1  0.313889  0.688244  0.398382  1
  Al  Al16  1  0.100900  0.260711  0.365280  1
  Al  Al17  1  0.251618  0.565849  0.477870  1
  Al  Al18  1  0.035924  0.133077  0.443214  1
  Al  Al19  1  0.920192  0.401528  0.432070  1
  Al  Al20  1  0.133961  0.830710  0.465355  1
  Al  Al21  1  0.420192  0.401528  0.432070  1
  Al  Al22  1  0.633961  0.830710  0.465355  1
  Al  Al23  1  0.751618  0.565849  0.477870  1
  Al  Al24  1  0.535924  0.133077  0.443214  1
  Al  Al25  1  0.689087  0.442689  0.559370  1
  Al  Al26  1  0.467879  0.999588  0.518293  1
  Al  Al27  1  0.356757  0.276797  0.510642  1
  Al  Al28  1  0.569448  0.703686  0.545859  1
  Al  Al29  1  0.856757  0.276797  0.510642  1
  Al  Al30  1  0.069448  0.703686  0.545859  1
  Al  Al31  1  0.189087  0.442689  0.559370  1
  Al  Al32  1  0.967879  0.999588  0.518293  1
  Al  Al33  1  0.126025  0.318070  0.641158  1
  Al  Al34  1  0.900838  0.867703  0.593607  1
  Al  Al35  1  0.789084  0.144040  0.584087  1
  Al  Al36  1  0.006445  0.579271  0.627873  1
  Al  Al37  1  0.289084  0.144040  0.584087  1
  Al  Al38  1  0.506445  0.579271  0.627873  1
  Al  Al39  1  0.626025  0.318070  0.641158  1
  Al  Al40  1  0.400838  0.867703  0.593607  1
  Al  Al41  1  0.545890  0.162949  0.713550  1
  Al  Al42  1  0.340466  0.748604  0.673068  1
  Al  Al43  1  0.221509  0.011334  0.659675  1
  Al  Al44  1  0.451701  0.469417  0.711180  1
  Al  Al45  1  0.721509  0.011334  0.659675  1
  Al  Al46  1  0.951701  0.469417  0.711180  1
  Al  Al47  1  0.045890  0.162949  0.713550  1
  Al  Al48  1  0.840466  0.748604  0.673068  1
  Ni  Ni49  1  0.566576  0.691007  0.319332  1
  Ni  Ni50  1  0.359637  0.270185  0.287463  1
  Ni  Ni51  1  0.268347  0.593504  0.300250  1
  Ni  Ni52  1  0.059462  0.162810  0.273141  1
  Ni  Ni53  1  0.680555  0.919928  0.341738  1
  Ni  Ni54  1  0.459837  0.475767  0.301497  1
  Ni  Ni55  1  0.461545  0.983102  0.295866  1
  Ni  Ni56  1  0.683838  0.425713  0.329984  1
  Ni  Ni57  1  0.155024  0.868671  0.293615  1
  Ni  Ni58  1  0.377246  0.312906  0.335748  1
  Ni  Ni59  1  0.358966  0.775490  0.278523  1
  Ni  Ni60  1  0.581016  0.220018  0.317571  1
  Ni  Ni61  1  0.961545  0.983102  0.295866  1
  Ni  Ni62  1  0.183838  0.425713  0.329984  1
  Ni  Ni63  1  0.655024  0.868671  0.293615  1
  Ni  Ni64  1  0.877246  0.312906  0.335748  1
  Ni  Ni65  1  0.858966  0.775490  0.278523  1
  Ni  Ni66  1  0.081016  0.220018  0.317571  1
  Ni  Ni67  1  0.066576  0.691007  0.319332  1
  Ni  Ni68  1  0.859637  0.270185  0.287463  1
  Ni  Ni69  1  0.768347  0.593504  0.300250  1
  Ni  Ni70  1  0.559462  0.162810  0.273141  1
  Ni  Ni71  1  0.180555  0.919928  0.341738  1
  Ni  Ni72  1  0.959837  0.475767  0.301497  1
  Ni  Ni73  1  1.003217  0.566682  0.399190  1
  Ni  Ni74  1  0.788783  0.136742  0.361854  1
  Ni  Ni75  1  0.706367  0.472369  0.379713  1
  Ni  Ni76  1  0.491234  0.041515  0.343867  1
  Ni  Ni77  1  0.112475  0.786106  0.416675  1
  Ni  Ni78  1  0.898629  0.356767  0.383892  1
  Ni  Ni79  1  0.903701  0.866814  0.373204  1
  Ni  Ni80  1  0.123041  0.306437  0.413464  1
  Ni  Ni81  1  0.589264  0.738386  0.367941  1
  Ni  Ni82  1  0.812109  0.184758  0.412117  1
  Ni  Ni83  1  0.789795  0.638800  0.349418  1
  Ni  Ni84  1  0.014282  0.088820  0.393641  1
  Ni  Ni85  1  0.403701  0.866814  0.373204  1
  Ni  Ni86  1  0.623041  0.306437  0.413464  1
  Ni  Ni87  1  0.089264  0.738386  0.367941  1
  Ni  Ni88  1  0.312109  0.184758  0.412117  1
  Ni  Ni89  1  0.289795  0.638800  0.349418  1
  Ni  Ni90  1  0.514282  0.088820  0.393641  1
  Ni  Ni91  1  0.503217  0.566682  0.399190  1
  Ni  Ni92  1  0.288783  0.136742  0.361854  1
  Ni  Ni93  1  0.206367  0.472369  0.379713  1
  Ni  Ni94  1  0.991234  0.041515  0.343867  1
  Ni  Ni95  1  0.612475  0.786106  0.416675  1
  Ni  Ni96  1  0.398629  0.356767  0.383892  1
  Ni  Ni97  1  0.441865  0.446078  0.481067  1
  Ni  Ni98  1  0.223835  0.008955  0.439046  1
  Ni  Ni99  1  0.146378  0.354480  0.461793  1
  Ni  Ni100  1  0.925429  0.911554  0.421088  1
  Ni  Ni101  1  0.547954  0.659301  0.497204  1
  Ni  Ni102  1  0.335014  0.231849  0.461441  1
  Ni  Ni103  1  0.335425  0.732927  0.446880  1
  Ni  Ni104  1  0.558488  0.179692  0.492187  1
  Ni  Ni105  1  0.025271  0.612586  0.448285  1
  Ni  Ni106  1  0.245332  0.053895  0.487817  1
  Ni  Ni107  1  0.229817  0.521030  0.428731  1
  Ni  Ni108  1  0.446449  0.955528  0.469687  1
  Ni  Ni109  1  0.835425  0.732927  0.446880  1
  Ni  Ni110  1  0.058488  0.179692  0.492187  1
  Ni  Ni111  1  0.525271  0.612586  0.448285  1
  Ni  Ni112  1  0.745332  0.053895  0.487817  1
  Ni  Ni113  1  0.729817  0.521030  0.428731  1
  Ni  Ni114  1  0.946449  0.955528  0.469687  1
  Ni  Ni115  1  0.941865  0.446078  0.481067  1
  Ni  Ni116  1  0.723835  0.008955  0.439046  1
  Ni  Ni117  1  0.646378  0.354480  0.461793  1
  Ni  Ni118  1  0.425429  0.911554  0.421088  1
  Ni  Ni119  1  0.047954  0.659301  0.497204  1
  Ni  Ni120  1  0.835014  0.231849  0.461441  1
  Ni  Ni121  1  0.879697  0.323589  0.560600  1
  Ni  Ni122  1  0.654829  0.873603  0.514332  1
  Ni  Ni123  1  0.581807  0.227476  0.541560  1
  Ni  Ni124  1  0.356953  0.777406  0.495486  1
  Ni  Ni125  1  0.985854  0.536901  0.578852  1
  Ni  Ni126  1  0.767077  0.098689  0.536122  1
  Ni  Ni127  1  0.772911  0.609894  0.526501  1
  Ni  Ni128  1  0.988893  0.042966  0.566602  1
  Ni  Ni129  1  0.464087  0.492117  0.529937  1
  Ni  Ni130  1  0.675770  0.917038  0.563297  1
  Ni  Ni131  1  0.668052  0.399525  0.510501  1
  Ni  Ni132  1  0.879445  0.823919  0.544390  1
  Ni  Ni133  1  0.272911  0.609894  0.526501  1
  Ni  Ni134  1  0.488893  0.042966  0.566602  1
  Ni  Ni135  1  0.964087  0.492117  0.529937  1
  Ni  Ni136  1  0.175770  0.917038  0.563297  1
  Ni  Ni137  1  0.168052  0.399525  0.510501  1
  Ni  Ni138  1  0.379445  0.823919  0.544390  1
  Ni  Ni139  1  0.379697  0.323589  0.560600  1
  Ni  Ni140  1  0.154829  0.873603  0.514332  1
  Ni  Ni141  1  0.081807  0.227476  0.541560  1
  Ni  Ni142  1  0.856953  0.777406  0.495486  1
  Ni  Ni143  1  0.485854  0.536901  0.578852  1
  Ni  Ni144  1  0.267077  0.098689  0.536122  1
  Ni  Ni145  1  0.310449  0.187905  0.632082  1
  Ni  Ni146  1  0.089886  0.745624  0.595119  1
  Ni  Ni147  1  0.010936  0.088329  0.614681  1
  Ni  Ni148  1  0.795061  0.655441  0.575285  1
  Ni  Ni149  1  0.424579  0.415672  0.661797  1
  Ni  Ni150  1  0.199273  0.965261  0.611584  1
  Ni  Ni151  1  0.211282  0.488222  0.607867  1
  Ni  Ni152  1  0.423304  0.914174  0.641977  1
  Ni  Ni153  1  0.903291  0.371914  0.610884  1
  Ni  Ni154  1  0.113292  0.793956  0.643775  1
  Ni  Ni155  1  0.104072  0.273341  0.591348  1
  Ni  Ni156  1  0.316852  0.700445  0.624358  1
  Ni  Ni157  1  0.711282  0.488222  0.607867  1
  Ni  Ni158  1  0.923304  0.914174  0.641977  1
  Ni  Ni159  1  0.403291  0.371914  0.610884  1
  Ni  Ni160  1  0.613292  0.793956  0.643775  1
  Ni  Ni161  1  0.604072  0.273341  0.591348  1
  Ni  Ni162  1  0.816852  0.700445  0.624358  1
  Ni  Ni163  1  0.810449  0.187905  0.632082  1
  Ni  Ni164  1  0.589886  0.745624  0.595119  1
  Ni  Ni165  1  0.510936  0.088329  0.614681  1
  Ni  Ni166  1  0.295061  0.655441  0.575285  1
  Ni  Ni167  1  0.924579  0.415672  0.661797  1
  Ni  Ni168  1  0.699273  0.965261  0.611584  1
  Ni  Ni169  1  0.738459  0.046804  0.708740  1
  Ni  Ni170  1  0.530438  0.627973  0.676093  1
  Ni  Ni171  1  0.445887  0.960868  0.690449  1
  Ni  Ni172  1  0.233438  0.533562  0.657271  1
  Ni  Ni173  1  0.850579  0.274141  0.724239  1
  Ni  Ni174  1  0.637858  0.844278  0.692522  1
  Ni  Ni175  1  0.644063  0.355582  0.691292  1
  Ni  Ni176  1  0.864940  0.798967  0.720795  1
  Ni  Ni177  1  0.327066  0.223416  0.679490  1
  Ni  Ni178  1  0.558309  0.684608  0.722745  1
  Ni  Ni179  1  0.532261  0.132987  0.663355  1
  Ni  Ni180  1  0.760531  0.588172  0.705694  1
  Ni  Ni181  1  0.144063  0.355582  0.691292  1
  Ni  Ni182  1  0.364940  0.798967  0.720795  1
  Ni  Ni183  1  0.827066  0.223416  0.679490  1
  Ni  Ni184  1  0.058309  0.684608  0.722745  1
  Ni  Ni185  1  0.032261  0.132987  0.663355  1
  Ni  Ni186  1  0.260531  0.588172  0.705694  1
  Ni  Ni187  1  0.238459  0.046804  0.708740  1
  Ni  Ni188  1  0.030438  0.627973  0.676093  1
  Ni  Ni189  1  0.945887  0.960868  0.690449  1
  Ni  Ni190  1  0.733438  0.533562  0.657271  1
  Ni  Ni191  1  0.350579  0.274141  0.724239  1
  Ni  Ni192  1  0.137858  0.844278  0.692522  1
