# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06922200
_cell_length_b   10.86226075
_cell_length_c   49.70586903
_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   'Al48 Ni80'
_cell_volume   3276.8828723
_cell_formula_units_Z   16
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  0.970184  0.208280  0.274002  1
  Al  Al2  1  0.080210  0.461669  0.328139  1
  Al  Al3  1  0.023849  0.726128  0.327649  1
  Al  Al4  1  1.019459  0.976567  0.381155  1
  Al  Al5  1  1.022445  0.948008  0.278861  1
  Al  Al6  1  0.024939  0.195064  0.331605  1
  Al  Al7  1  0.465019  0.961669  0.328139  1
  Al  Al8  1  0.575044  0.708280  0.274002  1
  Al  Al9  1  0.525769  0.476567  0.381155  1
  Al  Al10  1  0.521379  0.226128  0.327649  1
  Al  Al11  1  0.520290  0.695064  0.331605  1
  Al  Al12  1  0.522783  0.448008  0.278861  1
  Al  Al13  1  0.964743  0.713114  0.384280  1
  Al  Al14  1  0.081231  0.965809  0.440341  1
  Al  Al15  1  0.026083  0.230369  0.437355  1
  Al  Al16  1  1.018907  0.483075  0.493308  1
  Al  Al17  1  1.019187  0.449663  0.387571  1
  Al  Al18  1  0.026311  0.701460  0.443372  1
  Al  Al19  1  0.463998  0.465809  0.440341  1
  Al  Al20  1  0.580486  0.213114  0.384280  1
  Al  Al21  1  0.526322  0.983075  0.493308  1
  Al  Al22  1  0.519146  0.730369  0.437355  1
  Al  Al23  1  0.518918  0.201460  0.443372  1
  Al  Al24  1  0.526041  0.949663  0.387571  1
  Al  Al25  1  0.963956  0.218768  0.496373  1
  Al  Al26  1  0.081112  0.471410  0.552420  1
  Al  Al27  1  0.026052  0.735967  0.549302  1
  Al  Al28  1  1.020124  0.989422  0.605272  1
  Al  Al29  1  1.018939  0.954477  0.499409  1
  Al  Al30  1  0.025879  0.207412  0.555389  1
  Al  Al31  1  0.464117  0.971410  0.552420  1
  Al  Al32  1  0.581273  0.718768  0.496373  1
  Al  Al33  1  0.525104  0.489422  0.605272  1
  Al  Al34  1  0.519177  0.235967  0.549302  1
  Al  Al35  1  0.519350  0.707412  0.555389  1
  Al  Al36  1  0.526289  0.454477  0.499409  1
  Al  Al37  1  0.964979  0.723888  0.608523  1
  Al  Al38  1  0.078215  0.977429  0.663526  1
  Al  Al39  1  1.017621  0.243373  0.659077  1
  Al  Al40  1  0.031679  0.501535  0.710984  1
  Al  Al41  1  1.021631  0.459988  0.611477  1
  Al  Al42  1  1.022264  0.713666  0.666441  1
  Al  Al43  1  0.467014  0.477429  0.663526  1
  Al  Al44  1  0.580250  0.223888  0.608523  1
  Al  Al45  1  0.513550  0.001535  0.710984  1
  Al  Al46  1  0.527608  0.743373  0.659077  1
  Al  Al47  1  0.522965  0.213666  0.666441  1
  Al  Al48  1  0.523597  0.959988  0.611477  1
  Ni  Ni49  1  0.558858  0.222014  0.279512  1
  Ni  Ni50  1  0.497082  0.460546  0.327938  1
  Ni  Ni51  1  0.275249  0.100147  0.298308  1
  Ni  Ni52  1  0.275149  0.326490  0.359510  1
  Ni  Ni53  1  0.270079  0.826490  0.359510  1
  Ni  Ni54  1  0.269980  0.600147  0.298308  1
  Ni  Ni55  1  0.245954  0.599605  0.359912  1
  Ni  Ni56  1  0.249575  0.318602  0.298937  1
  Ni  Ni57  1  0.799505  0.571563  0.352827  1
  Ni  Ni58  1  0.799863  0.346944  0.305152  1
  Ni  Ni59  1  0.048147  0.960546  0.327938  1
  Ni  Ni60  1  0.986370  0.722014  0.279512  1
  Ni  Ni61  1  0.759599  0.849910  0.353450  1
  Ni  Ni62  1  0.787786  0.574397  0.304108  1
  Ni  Ni63  1  0.757443  0.074397  0.304108  1
  Ni  Ni64  1  0.785630  0.349910  0.353450  1
  Ni  Ni65  1  0.745366  0.846944  0.305152  1
  Ni  Ni66  1  0.745724  0.071563  0.352827  1
  Ni  Ni67  1  0.295654  0.818602  0.298937  1
  Ni  Ni68  1  0.299275  0.099605  0.359912  1
  Ni  Ni69  1  0.548421  0.712748  0.384335  1
  Ni  Ni70  1  0.497853  0.966018  0.440390  1
  Ni  Ni71  1  0.265413  0.601258  0.409180  1
  Ni  Ni72  1  0.280906  0.830684  0.471552  1
  Ni  Ni73  1  0.264323  0.330684  0.471552  1
  Ni  Ni74  1  0.279816  0.101258  0.409180  1
  Ni  Ni75  1  0.244456  0.105992  0.471937  1
  Ni  Ni76  1  0.244940  0.825760  0.408788  1
  Ni  Ni77  1  0.800807  0.078652  0.464768  1
  Ni  Ni78  1  0.800832  0.853065  0.415883  1
  Ni  Ni79  1  0.047376  0.466018  0.440390  1
  Ni  Ni80  1  0.996808  0.212748  0.384335  1
  Ni  Ni81  1  0.763972  0.353959  0.465169  1
  Ni  Ni82  1  0.781841  0.077941  0.415484  1
  Ni  Ni83  1  0.763388  0.577941  0.415484  1
  Ni  Ni84  1  0.781257  0.853959  0.465169  1
  Ni  Ni85  1  0.744396  0.353065  0.415883  1
  Ni  Ni86  1  0.744422  0.578652  0.464768  1
  Ni  Ni87  1  0.300288  0.325760  0.408788  1
  Ni  Ni88  1  0.300773  0.605992  0.471937  1
  Ni  Ni89  1  0.547521  0.218746  0.496349  1
  Ni  Ni90  1  0.497663  0.471737  0.552347  1
  Ni  Ni91  1  0.264393  0.106785  0.521198  1
  Ni  Ni92  1  0.281851  0.336085  0.583541  1
  Ni  Ni93  1  0.263378  0.836085  0.583541  1
  Ni  Ni94  1  0.280835  0.606785  0.521198  1
  Ni  Ni95  1  0.244320  0.611995  0.583837  1
  Ni  Ni96  1  0.244553  0.331537  0.520780  1
  Ni  Ni97  1  0.801022  0.584420  0.576846  1
  Ni  Ni98  1  0.800667  0.358982  0.527956  1
  Ni  Ni99  1  0.047566  0.971737  0.552347  1
  Ni  Ni100  1  0.997707  0.718746  0.496349  1
  Ni  Ni101  1  0.764971  0.859806  0.577323  1
  Ni  Ni102  1  0.781213  0.583484  0.527559  1
  Ni  Ni103  1  0.764016  0.083484  0.527559  1
  Ni  Ni104  1  0.780258  0.359806  0.577323  1
  Ni  Ni105  1  0.744561  0.858982  0.527956  1
  Ni  Ni106  1  0.744207  0.084420  0.576846  1
  Ni  Ni107  1  0.300676  0.831537  0.520780  1
  Ni  Ni108  1  0.300909  0.111995  0.583837  1
  Ni  Ni109  1  0.548678  0.724015  0.608071  1
  Ni  Ni110  1  0.494821  0.980520  0.662973  1
  Ni  Ni111  1  0.265274  0.613566  0.633513  1
  Ni  Ni112  1  0.292334  0.842852  0.690957  1
  Ni  Ni113  1  0.252895  0.342852  0.690957  1
  Ni  Ni114  1  0.279955  0.113566  0.633513  1
  Ni  Ni115  1  0.224176  0.126072  0.692302  1
  Ni  Ni116  1  0.243427  0.837619  0.633137  1
  Ni  Ni117  1  0.814560  0.096141  0.687481  1
  Ni  Ni118  1  0.803501  0.867095  0.639111  1
  Ni  Ni119  1  0.050407  0.480520  0.662973  1
  Ni  Ni120  1  0.996551  0.224015  0.608071  1
  Ni  Ni121  1  0.774173  0.372481  0.686491  1
  Ni  Ni122  1  0.778700  0.087432  0.639479  1
  Ni  Ni123  1  0.766528  0.587432  0.639479  1
  Ni  Ni124  1  0.771056  0.872481  0.686491  1
  Ni  Ni125  1  0.741728  0.367095  0.639111  1
  Ni  Ni126  1  0.730669  0.596141  0.687481  1
  Ni  Ni127  1  0.301802  0.337619  0.633137  1
  Ni  Ni128  1  0.321053  0.626072  0.692302  1
