# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44937495
_cell_length_b   10.96983568
_cell_length_c   52.33216393
_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   'Al120 Ni40'
_cell_volume   4850.57694229
_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  0.747433  0.149934  0.325639  1
  Al  Al2  1  0.699517  0.536535  0.286032  1
  Al  Al3  1  0.781328  0.009764  0.277857  1
  Al  Al4  1  0.511856  0.527746  0.331917  1
  Al  Al5  1  0.134290  0.993894  0.267123  1
  Al  Al6  1  0.997909  0.528677  0.333954  1
  Al  Al7  1  0.487251  0.018321  0.335209  1
  Al  Al8  1  0.448226  0.381500  0.287403  1
  Al  Al9  1  0.508488  0.283639  0.335699  1
  Al  Al10  1  0.614009  0.779241  0.289226  1
  Al  Al11  1  0.190892  0.227282  0.267072  1
  Al  Al12  1  0.019283  0.766880  0.338279  1
  Al  Al13  1  0.995530  0.280359  0.337830  1
  Al  Al14  1  0.950656  0.691523  0.288250  1
  Al  Al15  1  0.463520  0.123137  0.287899  1
  Al  Al16  1  0.484024  0.766748  0.336852  1
  Al  Al17  1  0.003011  0.026465  0.340335  1
  Al  Al18  1  0.014590  0.391071  0.291428  1
  Al  Al19  1  0.748439  0.896713  0.327036  1
  Al  Al20  1  0.754384  0.266980  0.279564  1
  Al  Al21  1  0.252487  0.149773  0.353888  1
  Al  Al22  1  0.250862  0.565352  0.303813  1
  Al  Al23  1  0.254210  0.409386  0.352359  1
  Al  Al24  1  0.270457  0.815214  0.301365  1
  Al  Al25  1  0.751116  0.390145  0.414539  1
  Al  Al26  1  0.751172  0.767653  0.371137  1
  Al  Al27  1  0.510646  0.149964  0.381455  1
  Al  Al28  1  0.506772  0.770025  0.426018  1
  Al  Al29  1  0.991544  0.151975  0.383168  1
  Al  Al30  1  0.995452  0.770181  0.426348  1
  Al  Al31  1  0.493594  0.257081  0.428519  1
  Al  Al32  1  0.495784  0.633973  0.381359  1
  Al  Al33  1  0.507687  0.524343  0.427359  1
  Al  Al34  1  0.505314  0.903472  0.381398  1
  Al  Al35  1  0.010231  0.390786  0.383827  1
  Al  Al36  1  0.007462  0.009478  0.430212  1
  Al  Al37  1  0.995092  0.524184  0.427440  1
  Al  Al38  1  0.995737  0.902214  0.382907  1
  Al  Al39  1  0.493880  0.389191  0.383593  1
  Al  Al40  1  0.494412  0.008780  0.429916  1
  Al  Al41  1  0.008349  0.257619  0.428812  1
  Al  Al42  1  0.008612  0.634703  0.381980  1
  Al  Al43  1  0.748998  0.132024  0.413086  1
  Al  Al44  1  0.750873  0.510449  0.365473  1
  Al  Al45  1  0.251609  0.391623  0.441081  1
  Al  Al46  1  0.252769  0.768086  0.394460  1
  Al  Al47  1  0.251489  0.649354  0.443894  1
  Al  Al48  1  0.251840  0.026684  0.399738  1
  Al  Al49  1  0.751006  0.630622  0.505626  1
  Al  Al50  1  0.750692  0.009815  0.460895  1
  Al  Al51  1  0.508457  0.391409  0.471942  1
  Al  Al52  1  0.507628  0.011045  0.517848  1
  Al  Al53  1  0.993762  0.391437  0.471929  1
  Al  Al54  1  0.994119  0.011007  0.517873  1
  Al  Al55  1  0.494148  0.496366  0.518996  1
  Al  Al56  1  0.494245  0.876096  0.473858  1
  Al  Al57  1  0.507779  0.764842  0.518772  1
  Al  Al58  1  0.507876  0.144571  0.473634  1
  Al  Al59  1  0.007904  0.629931  0.474758  1
  Al  Al60  1  0.008262  0.249500  0.520701  1
  Al  Al61  1  0.994358  0.764829  0.518704  1
  Al  Al62  1  0.993782  0.144517  0.473742  1
  Al  Al63  1  0.494395  0.629893  0.474782  1
  Al  Al64  1  0.493567  0.249528  0.520688  1
  Al  Al65  1  0.008242  0.496420  0.518888  1
  Al  Al66  1  0.007666  0.876108  0.473926  1
  Al  Al67  1  0.751007  0.371370  0.502902  1
  Al  Al68  1  0.750618  0.751702  0.457079  1
  Al  Al69  1  0.251332  0.631122  0.531736  1
  Al  Al70  1  0.251018  0.010315  0.487004  1
  Al  Al71  1  0.251406  0.889236  0.535552  1
  Al  Al72  1  0.251017  0.269568  0.489728  1
  Al  Al73  1  0.749254  0.872851  0.598171  1
  Al  Al74  1  0.750414  0.249315  0.551549  1
  Al  Al75  1  0.507612  0.632157  0.562715  1
  Al  Al76  1  0.508143  0.251747  0.609037  1
  Al  Al77  1  0.994562  0.631459  0.562418  1
  Al  Al78  1  0.991793  0.250152  0.608803  1
  Al  Al79  1  0.496710  0.737465  0.611232  1
  Al  Al80  1  0.494337  0.116594  0.565271  1
  Al  Al81  1  0.506240  0.006964  0.611271  1
  Al  Al82  1  0.508430  0.383857  0.564111  1
  Al  Al83  1  0.006572  0.870756  0.566282  1
  Al  Al84  1  0.010480  0.488962  0.609462  1
  Al  Al85  1  0.993412  0.006234  0.610650  1
  Al  Al86  1  0.993674  0.383318  0.563818  1
  Al  Al87  1  0.495252  0.870913  0.566612  1
  Al  Al88  1  0.491378  0.490973  0.611175  1
  Al  Al89  1  0.006287  0.738724  0.609723  1
  Al  Al90  1  0.006931  0.116753  0.565190  1
  Al  Al91  1  0.750184  0.614253  0.592892  1
  Al  Al92  1  0.750535  0.991583  0.548736  1
  Al  Al93  1  0.250851  0.873284  0.621493  1
  Al  Al94  1  0.250908  0.250792  0.578091  1
  Al  Al95  1  0.251151  0.130488  0.627157  1
  Al  Al96  1  0.253026  0.508913  0.579544  1
  Al  Al97  1  0.751162  0.075586  0.688818  1
  Al  Al98  1  0.749537  0.491164  0.638742  1
  Al  Al99  1  0.518000  0.874190  0.655778  1
  Al  Al100  1  0.538504  0.517800  0.704731  1
  Al  Al101  1  0.982740  0.874057  0.654351  1
  Al  Al102  1  0.811132  0.413656  0.725558  1
  Al  Al103  1  0.388015  0.861697  0.703404  1
  Al  Al104  1  0.493536  0.357298  0.656931  1
  Al  Al105  1  0.553797  0.259437  0.705227  1
  Al  Al106  1  0.514773  0.622616  0.657421  1
  Al  Al107  1  0.004114  0.112261  0.658676  1
  Al  Al108  1  0.867734  0.647043  0.725507  1
  Al  Al109  1  0.987434  0.249866  0.701202  1
  Al  Al110  1  0.999013  0.614473  0.652295  1
  Al  Al111  1  0.490167  0.113191  0.660713  1
  Al  Al112  1  0.220696  0.631173  0.714773  1
  Al  Al113  1  0.051368  0.949414  0.704380  1
  Al  Al114  1  0.006494  0.360578  0.654800  1
  Al  Al115  1  0.731567  0.825723  0.691265  1
  Al  Al116  1  0.747814  0.231551  0.640271  1
  Al  Al117  1  0.302507  0.104402  0.706598  1
  Al  Al118  1  0.254591  0.491003  0.666992  1
  Al  Al119  1  0.247639  0.373957  0.713067  1
  Al  Al120  1  0.253584  0.744225  0.665594  1
  Ni  Ni121  1  0.992444  0.146778  0.298283  1
  Ni  Ni122  1  0.755027  0.659105  0.325849  1
  Ni  Ni123  1  0.993210  0.905843  0.301831  1
  Ni  Ni124  1  0.758120  0.395409  0.322473  1
  Ni  Ni125  1  0.234636  0.036627  0.311137  1
  Ni  Ni126  1  0.253495  0.643187  0.352178  1
  Ni  Ni127  1  0.245613  0.263863  0.312295  1
  Ni  Ni128  1  0.248946  0.897510  0.351317  1
  Ni  Ni129  1  0.750248  0.273253  0.367429  1
  Ni  Ni130  1  0.749891  0.892390  0.412886  1
  Ni  Ni131  1  0.750022  0.023437  0.368931  1
  Ni  Ni132  1  0.751289  0.641928  0.412656  1
  Ni  Ni133  1  0.251830  0.268883  0.398591  1
  Ni  Ni134  1  0.251233  0.888284  0.443987  1
  Ni  Ni135  1  0.252676  0.517390  0.397371  1
  Ni  Ni136  1  0.251233  0.137152  0.443765  1
  Ni  Ni137  1  0.751116  0.512237  0.457388  1
  Ni  Ni138  1  0.750760  0.132057  0.503667  1
  Ni  Ni139  1  0.750843  0.263973  0.458355  1
  Ni  Ni140  1  0.750873  0.884191  0.503991  1
  Ni  Ni141  1  0.251263  0.508880  0.488963  1
  Ni  Ni142  1  0.250908  0.128700  0.535242  1
  Ni  Ni143  1  0.251151  0.756746  0.488639  1
  Ni  Ni144  1  0.251181  0.376964  0.534275  1
  Ni  Ni145  1  0.750791  0.752653  0.548643  1
  Ni  Ni146  1  0.750193  0.372054  0.594039  1
  Ni  Ni147  1  0.750791  0.503785  0.548865  1
  Ni  Ni148  1  0.749347  0.123547  0.595259  1
  Ni  Ni149  1  0.252133  0.748547  0.579744  1
  Ni  Ni150  1  0.251776  0.367684  0.625201  1
  Ni  Ni151  1  0.250735  0.999009  0.579974  1
  Ni  Ni152  1  0.252001  0.617500  0.623699  1
  Ni  Ni153  1  0.748529  0.997750  0.640452  1
  Ni  Ni154  1  0.767387  0.604310  0.681493  1
  Ni  Ni155  1  0.753077  0.743427  0.641313  1
  Ni  Ni156  1  0.756411  0.377075  0.680335  1
  Ni  Ni157  1  0.246996  0.981832  0.666781  1
  Ni  Ni158  1  0.009580  0.494159  0.694347  1
  Ni  Ni159  1  0.243904  0.245529  0.670157  1
  Ni  Ni160  1  0.008814  0.735095  0.690799  1
