# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62475720
_cell_length_b   22.89867492
_cell_length_c   47.16362154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al54 Ni90'
_cell_volume   3914.68136286
_cell_formula_units_Z   18
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  0.504052  0.224981  0.429027  1
  Al  Al2  1  0.504052  0.922794  0.379712  1
  Al  Al3  1  0.504052  0.620357  0.334634  1
  Al  Al4  1  1.004052  0.145064  0.416212  1
  Al  Al5  1  1.004052  0.843352  0.367220  1
  Al  Al6  1  1.004052  0.538390  0.319811  1
  Al  Al7  1  1.004052  0.394073  0.297115  1
  Al  Al8  1  1.004052  1.002514  0.392990  1
  Al  Al9  1  1.004052  0.700851  0.346223  1
  Al  Al10  1  0.504052  0.422139  0.380395  1
  Al  Al11  1  0.504052  0.123098  0.334849  1
  Al  Al12  1  0.504052  0.807550  0.284260  1
  Al  Al13  1  1.004052  0.342624  0.368124  1
  Al  Al14  1  1.004052  0.041774  0.319985  1
  Al  Al15  1  1.004052  0.645024  0.415716  1
  Al  Al16  1  1.004052  0.201999  0.346747  1
  Al  Al17  1  1.004052  0.901269  0.295860  1
  Al  Al18  1  1.004052  0.501861  0.393115  1
  Al  Al19  1  0.504052  0.130516  0.571591  1
  Al  Al20  1  0.504052  0.828802  0.523885  1
  Al  Al21  1  0.504052  0.526594  0.475803  1
  Al  Al22  1  1.004052  0.050167  0.558769  1
  Al  Al23  1  1.004052  0.749119  0.511166  1
  Al  Al24  1  1.004052  0.446725  0.463334  1
  Al  Al25  1  1.004052  0.304658  0.441399  1
  Al  Al26  1  1.004052  0.908269  0.536485  1
  Al  Al27  1  1.004052  0.606555  0.488461  1
  Al  Al28  1  0.504052  0.328642  0.524144  1
  Al  Al29  1  0.504052  0.026427  0.475966  1
  Al  Al30  1  0.504052  0.725210  0.428394  1
  Al  Al31  1  1.004052  0.248882  0.511636  1
  Al  Al32  1  1.004052  0.946722  0.463173  1
  Al  Al33  1  1.004052  0.550450  0.558267  1
  Al  Al34  1  1.004052  0.106306  0.488878  1
  Al  Al35  1  1.004052  0.804942  0.440825  1
  Al  Al36  1  1.004052  0.408253  0.536426  1
  Al  Al37  1  0.504052  0.046512  0.715616  1
  Al  Al38  1  0.504052  0.733555  0.667791  1
  Al  Al39  1  0.504052  0.432474  0.619426  1
  Al  Al40  1  1.004052  0.956302  0.703204  1
  Al  Al41  1  1.004052  0.653058  0.652100  1
  Al  Al42  1  1.004052  0.352934  0.607213  1
  Al  Al43  1  1.004052  0.210789  0.584685  1
  Al  Al44  1  1.004052  0.813583  0.683337  1
  Al  Al45  1  1.004052  0.512381  0.630997  1
  Al  Al46  1  0.504052  0.236504  0.667901  1
  Al  Al47  1  0.504052  0.931807  0.619934  1
  Al  Al48  1  0.504052  0.630800  0.571003  1
  Al  Al49  1  1.004052  0.153786  0.652657  1
  Al  Al50  1  1.004052  0.852288  0.607174  1
  Al  Al51  1  1.004052  0.463781  0.702359  1
  Al  Al52  1  1.004052  0.011553  0.631841  1
  Al  Al53  1  1.004052  0.710820  0.584194  1
  Al  Al54  1  1.004052  0.317170  0.683765  1
  Ni  Ni55  1  0.504052  0.271962  0.357374  1
  Ni  Ni56  1  0.504052  0.971355  0.310367  1
  Ni  Ni57  1  0.504052  0.573498  0.404353  1
  Ni  Ni58  1  0.504052  0.173758  0.381556  1
  Ni  Ni59  1  0.504052  0.870121  0.331366  1
  Ni  Ni60  1  0.504052  0.571168  0.288607  1
  Ni  Ni61  1  0.504052  0.323838  0.404808  1
  Ni  Ni62  1  0.504052  0.022646  0.356728  1
  Ni  Ni63  1  0.504052  0.716327  0.310060  1
  Ni  Ni64  1  1.004052  0.294872  0.320183  1
  Ni  Ni65  1  1.004052  0.899921  0.415083  1
  Ni  Ni66  1  1.004052  0.597003  0.367932  1
  Ni  Ni67  1  1.004052  0.248314  0.394143  1
  Ni  Ni68  1  1.004052  0.945453  0.344983  1
  Ni  Ni69  1  1.004052  0.644200  0.299988  1
  Ni  Ni70  1  0.504052  0.467228  0.310640  1
  Ni  Ni71  1  0.504052  0.073909  0.404632  1
  Ni  Ni72  1  0.504052  0.772154  0.356371  1
  Ni  Ni73  1  0.504052  0.368228  0.332666  1
  Ni  Ni74  1  0.504052  0.075255  0.288649  1
  Ni  Ni75  1  0.504052  0.673360  0.380994  1
  Ni  Ni76  1  0.504052  0.221573  0.310646  1
  Ni  Ni77  1  0.504052  0.824192  0.404082  1
  Ni  Ni78  1  0.504052  0.520762  0.356649  1
  Ni  Ni79  1  1.004052  0.399539  0.415580  1
  Ni  Ni80  1  1.004052  0.098281  0.368181  1
  Ni  Ni81  1  1.004052  0.794926  0.319847  1
  Ni  Ni82  1  1.004052  0.443773  0.345503  1
  Ni  Ni83  1  1.004052  0.147712  0.300569  1
  Ni  Ni84  1  1.004052  0.748561  0.393409  1
  Ni  Ni85  1  0.504052  0.177639  0.500320  1
  Ni  Ni86  1  0.504052  0.875790  0.451951  1
  Ni  Ni87  1  0.504052  0.479239  0.547275  1
  Ni  Ni88  1  0.504052  0.078347  0.523849  1
  Ni  Ni89  1  0.504052  0.777013  0.476058  1
  Ni  Ni90  1  0.504052  0.474393  0.428178  1
  Ni  Ni91  1  0.504052  0.229767  0.548145  1
  Ni  Ni92  1  0.504052  0.927493  0.499800  1
  Ni  Ni93  1  0.504052  0.625821  0.452069  1
  Ni  Ni94  1  1.004052  0.201850  0.463823  1
  Ni  Ni95  1  1.004052  0.805985  0.558980  1
  Ni  Ni96  1  1.004052  0.503454  0.510694  1
  Ni  Ni97  1  1.004052  0.153435  0.536798  1
  Ni  Ni98  1  1.004052  0.851691  0.488767  1
  Ni  Ni99  1  1.004052  0.549476  0.440864  1
  Ni  Ni100  1  0.504052  0.375635  0.452346  1
  Ni  Ni101  1  0.504052  0.979102  0.547583  1
  Ni  Ni102  1  0.504052  0.677887  0.499825  1
  Ni  Ni103  1  0.504052  0.276792  0.476538  1
  Ni  Ni104  1  0.504052  0.974506  0.427975  1
  Ni  Ni105  1  0.504052  0.578586  0.523437  1
  Ni  Ni106  1  0.504052  0.125643  0.452507  1
  Ni  Ni107  1  0.504052  0.729943  0.547666  1
  Ni  Ni108  1  0.504052  0.427487  0.499845  1
  Ni  Ni109  1  1.004052  0.305899  0.559257  1
  Ni  Ni110  1  1.004052  1.003387  0.510925  1
  Ni  Ni111  1  1.004052  0.702097  0.463294  1
  Ni  Ni112  1  1.004052  0.351615  0.489080  1
  Ni  Ni113  1  1.004052  0.049370  0.441030  1
  Ni  Ni114  1  1.004052  0.653715  0.536301  1
  Ni  Ni115  1  0.504052  0.082729  0.642185  1
  Ni  Ni116  1  0.504052  0.781745  0.595709  1
  Ni  Ni117  1  0.504052  0.392458  0.687636  1
  Ni  Ni118  1  0.504052  0.986337  0.667479  1
  Ni  Ni119  1  0.504052  0.683187  0.619010  1
  Ni  Ni120  1  0.504052  0.380599  0.571773  1
  Ni  Ni121  1  0.504052  0.135053  0.688223  1
  Ni  Ni122  1  0.504052  0.832076  0.643815  1
  Ni  Ni123  1  0.504052  0.530843  0.594487  1
  Ni  Ni124  1  1.004052  0.106690  0.605886  1
  Ni  Ni125  1  1.004052  0.697723  0.699131  1
  Ni  Ni126  1  1.004052  0.411020  0.654083  1
  Ni  Ni127  1  1.004052  0.059835  0.679326  1
  Ni  Ni128  1  1.004052  0.757451  0.632900  1
  Ni  Ni129  1  1.004052  0.455153  0.584099  1
  Ni  Ni130  1  0.504052  0.282108  0.596101  1
  Ni  Ni131  1  0.504052  0.888430  0.687644  1
  Ni  Ni132  1  0.504052  0.583310  0.641172  1
  Ni  Ni133  1  0.504052  0.183363  0.619550  1
  Ni  Ni134  1  0.504052  0.880503  0.571844  1
  Ni  Ni135  1  0.504052  0.488275  0.666333  1
  Ni  Ni136  1  0.504052  0.030475  0.595142  1
  Ni  Ni137  1  0.504052  0.629625  0.688016  1
  Ni  Ni138  1  0.504052  0.334095  0.644080  1
  Ni  Ni139  1  1.004052  0.202003  0.699718  1
  Ni  Ni140  1  1.004052  0.909320  0.654328  1
  Ni  Ni141  1  1.004052  0.607059  0.605170  1
  Ni  Ni142  1  1.004052  0.258553  0.633147  1
  Ni  Ni143  1  1.004052  0.954801  0.584487  1
  Ni  Ni144  1  1.004052  0.560452  0.678803  1
