# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75196167
_cell_length_b   9.77665732
_cell_length_c   48.85963033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.87409147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4251.44483105
_cell_formula_units_Z   20
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  0.314648  0.825735  0.333643  1
  Al  Al2  1  0.438243  0.404263  0.297270  1
  Al  Al3  1  0.739505  0.202511  0.299021  1
  Al  Al4  1  0.587858  0.557328  0.338980  1
  Al  Al5  1  0.047956  0.084409  0.331504  1
  Al  Al6  1  0.907494  0.435346  0.377763  1
  Al  Al7  1  0.818207  0.822119  0.338659  1
  Al  Al8  1  0.921994  0.416670  0.297441  1
  Al  Al9  1  0.238018  0.203784  0.298811  1
  Al  Al10  1  0.079873  0.567282  0.341556  1
  Al  Al11  1  0.543337  0.084489  0.334000  1
  Al  Al12  1  0.405553  0.439186  0.377612  1
  Al  Al13  1  0.029016  0.535970  0.421367  1
  Al  Al14  1  0.171391  0.178040  0.380173  1
  Al  Al15  1  0.439034  0.922525  0.380805  1
  Al  Al16  1  0.295802  0.278689  0.423084  1
  Al  Al17  1  0.762101  0.793342  0.419201  1
  Al  Al18  1  0.617906  0.149466  0.461285  1
  Al  Al19  1  0.528015  0.538941  0.420136  1
  Al  Al20  1  0.673667  0.176084  0.380705  1
  Al  Al21  1  0.939991  0.921478  0.381723  1
  Al  Al22  1  0.796017  0.278935  0.422576  1
  Al  Al23  1  0.263218  0.792691  0.418088  1
  Al  Al24  1  0.118374  0.148500  0.460648  1
  Al  Al25  1  0.738926  0.249010  0.504210  1
  Al  Al26  1  0.884303  0.891135  0.463504  1
  Al  Al27  1  0.149787  0.635954  0.465140  1
  Al  Al28  1  0.005777  0.991052  0.506219  1
  Al  Al29  1  0.472886  0.504239  0.502595  1
  Al  Al30  1  0.328275  0.860855  0.543913  1
  Al  Al31  1  0.239213  0.248966  0.504051  1
  Al  Al32  1  0.384420  0.891248  0.462545  1
  Al  Al33  1  0.649625  0.636562  0.464266  1
  Al  Al34  1  0.505664  0.991177  0.506089  1
  Al  Al35  1  0.973329  0.504525  0.502445  1
  Al  Al36  1  0.828111  0.861230  0.545099  1
  Al  Al37  1  0.450355  0.963396  0.586139  1
  Al  Al38  1  0.593856  0.603643  0.545905  1
  Al  Al39  1  0.860167  0.348123  0.547675  1
  Al  Al40  1  0.716612  0.702777  0.589264  1
  Al  Al41  1  0.184344  0.216960  0.585145  1
  Al  Al42  1  0.037040  0.578185  0.628703  1
  Al  Al43  1  0.950378  0.961047  0.587890  1
  Al  Al44  1  0.093498  0.603548  0.547254  1
  Al  Al45  1  0.359754  0.348127  0.548774  1
  Al  Al46  1  0.215415  0.703209  0.590589  1
  Al  Al47  1  0.683615  0.216172  0.586299  1
  Al  Al48  1  0.538138  0.577106  0.627464  1
  Al  Al49  1  0.170050  0.680149  0.672406  1
  Al  Al50  1  0.308823  0.314447  0.630338  1
  Al  Al51  1  0.572887  0.060415  0.633169  1
  Al  Al52  1  0.433268  0.416636  0.676444  1
  Al  Al53  1  0.891396  0.937933  0.668949  1
  Al  Al54  1  0.757524  0.298819  0.709233  1
  Al  Al55  1  0.667952  0.690395  0.667088  1
  Al  Al56  1  0.806446  0.317014  0.629012  1
  Al  Al57  1  0.074141  0.059495  0.631165  1
  Al  Al58  1  0.936384  0.414293  0.673057  1
  Al  Al59  1  0.397027  0.933057  0.666170  1
  Al  Al60  1  0.225864  0.304437  0.709442  1
  Ni  Ni61  1  0.433879  0.944082  0.297726  1
  Ni  Ni62  1  0.317483  0.326883  0.337628  1
  Ni  Ni63  1  0.921921  0.679191  0.380319  1
  Ni  Ni64  1  0.071215  0.323079  0.338621  1
  Ni  Ni65  1  0.571168  0.816519  0.336931  1
  Ni  Ni66  1  0.423248  0.180771  0.378994  1
  Ni  Ni67  1  0.308665  0.068222  0.341088  1
  Ni  Ni68  1  0.466148  0.669760  0.297470  1
  Ni  Ni69  1  0.180036  0.935312  0.375391  1
  Ni  Ni70  1  0.322231  0.579259  0.334442  1
  Ni  Ni71  1  0.950910  0.942592  0.297856  1
  Ni  Ni72  1  0.818377  0.325117  0.336932  1
  Ni  Ni73  1  0.694914  0.943717  0.297144  1
  Ni  Ni74  1  0.571113  0.317218  0.339769  1
  Ni  Ni75  1  0.070154  0.818128  0.338252  1
  Ni  Ni76  1  0.168358  0.470782  0.297822  1
  Ni  Ni77  1  0.809766  0.064716  0.340749  1
  Ni  Ni78  1  0.929134  0.689907  0.298521  1
  Ni  Ni79  1  0.677240  0.936156  0.377246  1
  Ni  Ni80  1  0.824181  0.578972  0.336451  1
  Ni  Ni81  1  0.173882  0.678129  0.379819  1
  Ni  Ni82  1  0.030476  0.036792  0.420010  1
  Ni  Ni83  1  0.633736  0.393635  0.462306  1
  Ni  Ni84  1  0.780129  0.034381  0.421852  1
  Ni  Ni85  1  0.278562  0.535323  0.421657  1
  Ni  Ni86  1  0.134680  0.892615  0.462136  1
  Ni  Ni87  1  0.022770  0.779881  0.423365  1
  Ni  Ni88  1  0.168157  0.420922  0.381840  1
  Ni  Ni89  1  0.890274  0.648264  0.461009  1
  Ni  Ni90  1  0.035072  0.292609  0.419413  1
  Ni  Ni91  1  0.672469  0.679316  0.379227  1
  Ni  Ni92  1  0.529441  0.037779  0.420693  1
  Ni  Ni93  1  0.422569  0.682512  0.377205  1
  Ni  Ni94  1  0.280263  0.034665  0.421046  1
  Ni  Ni95  1  0.778760  0.536593  0.420898  1
  Ni  Ni96  1  0.924804  0.178227  0.377964  1
  Ni  Ni97  1  0.521967  0.781419  0.422409  1
  Ni  Ni98  1  0.668155  0.421462  0.381028  1
  Ni  Ni99  1  0.390363  0.647729  0.460584  1
  Ni  Ni100  1  0.534436  0.294238  0.419673  1
  Ni  Ni101  1  0.883948  0.392290  0.462609  1
  Ni  Ni102  1  0.739365  0.749038  0.504090  1
  Ni  Ni103  1  0.344326  0.105842  0.545280  1
  Ni  Ni104  1  0.489566  0.747736  0.504144  1
  Ni  Ni105  1  0.989399  0.247936  0.504229  1
  Ni  Ni106  1  0.844092  0.605200  0.545660  1
  Ni  Ni107  1  0.732543  0.492857  0.505911  1
  Ni  Ni108  1  0.878567  0.135709  0.464268  1
  Ni  Ni109  1  0.600351  0.359286  0.544567  1
  Ni  Ni110  1  0.745272  0.004555  0.503273  1
  Ni  Ni111  1  0.383812  0.391169  0.463421  1
  Ni  Ni112  1  0.239288  0.748532  0.504272  1
  Ni  Ni113  1  0.134070  0.392370  0.462750  1
  Ni  Ni114  1  0.989020  0.747131  0.505305  1
  Ni  Ni115  1  0.488937  0.246822  0.505295  1
  Ni  Ni116  1  0.633995  0.893298  0.462465  1
  Ni  Ni117  1  0.232132  0.492690  0.506883  1
  Ni  Ni118  1  0.378380  0.135211  0.464439  1
  Ni  Ni119  1  0.100887  0.360384  0.543961  1
  Ni  Ni120  1  0.245640  0.004447  0.502346  1
  Ni  Ni121  1  0.594533  0.101937  0.547225  1
  Ni  Ni122  1  0.449082  0.460688  0.588441  1
  Ni  Ni123  1  0.053147  0.818603  0.630238  1
  Ni  Ni124  1  0.198890  0.459745  0.589004  1
  Ni  Ni125  1  0.699854  0.957632  0.589561  1
  Ni  Ni126  1  0.555644  0.319281  0.630439  1
  Ni  Ni127  1  0.444066  0.204759  0.590462  1
  Ni  Ni128  1  0.589191  0.846705  0.547340  1
  Ni  Ni129  1  0.313191  0.074360  0.625875  1
  Ni  Ni130  1  0.454607  0.717890  0.585765  1
  Ni  Ni131  1  0.094776  0.103545  0.545956  1
  Ni  Ni132  1  0.949806  0.461709  0.586991  1
  Ni  Ni133  1  0.844292  0.104871  0.546049  1
  Ni  Ni134  1  0.699327  0.460406  0.587523  1
  Ni  Ni135  1  0.201147  0.959016  0.587810  1
  Ni  Ni136  1  0.343503  0.604442  0.546415  1
  Ni  Ni137  1  0.944114  0.204597  0.589306  1
  Ni  Ni138  1  0.088569  0.847408  0.548112  1
  Ni  Ni139  1  0.811633  0.074070  0.627569  1
  Ni  Ni140  1  0.954463  0.717878  0.587255  1
  Ni  Ni141  1  0.303085  0.814820  0.630564  1
  Ni  Ni142  1  0.166193  0.178046  0.668681  1
  Ni  Ni143  1  0.769394  0.560390  0.708781  1
  Ni  Ni144  1  0.917232  0.175409  0.670246  1
  Ni  Ni145  1  0.419708  0.675348  0.672867  1
  Ni  Ni146  1  0.282071  0.031897  0.709295  1
  Ni  Ni147  1  0.151164  0.927411  0.675235  1
  Ni  Ni148  1  0.300705  0.558895  0.632579  1
  Ni  Ni149  1  0.014187  0.813758  0.709897  1
  Ni  Ni150  1  0.169648  0.437834  0.668054  1
  Ni  Ni151  1  0.802577  0.813956  0.632452  1
  Ni  Ni152  1  0.665768  0.179173  0.672091  1
  Ni  Ni153  1  0.552968  0.822131  0.626845  1
  Ni  Ni154  1  0.413425  0.173473  0.673389  1
  Ni  Ni155  1  0.917077  0.674525  0.675419  1
  Ni  Ni156  1  0.056667  0.320074  0.628160  1
  Ni  Ni157  1  0.650834  0.930363  0.677346  1
  Ni  Ni158  1  0.802653  0.557391  0.630322  1
  Ni  Ni159  1  0.525262  0.799207  0.708109  1
  Ni  Ni160  1  0.670997  0.441227  0.668259  1
