# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49754224
_cell_length_b   11.55641465
_cell_length_c   48.88660645
_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   'Al96 Ni32'
_cell_volume   4235.76568859
_cell_formula_units_Z   32
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  0.767838  0.115687  0.350056  1
  Al  Al2  1  0.767838  0.457810  0.295499  1
  Al  Al3  1  0.574300  0.235943  0.299167  1
  Al  Al4  1  0.572885  0.887147  0.359313  1
  Al  Al5  1  0.961377  0.235943  0.299167  1
  Al  Al6  1  0.962792  0.887147  0.359313  1
  Al  Al7  1  0.462782  0.018578  0.317660  1
  Al  Al8  1  0.466495  0.672040  0.372713  1
  Al  Al9  1  0.575295  0.995958  0.264867  1
  Al  Al10  1  0.569018  0.643399  0.319554  1
  Al  Al11  1  0.071516  0.763428  0.274235  1
  Al  Al12  1  0.070599  0.422965  0.330935  1
  Al  Al13  1  0.960382  0.995958  0.264867  1
  Al  Al14  1  0.966659  0.643399  0.319554  1
  Al  Al15  1  0.464161  0.763428  0.274235  1
  Al  Al16  1  0.465077  0.422965  0.330935  1
  Al  Al17  1  0.072895  0.018578  0.317660  1
  Al  Al18  1  0.069182  0.672040  0.372713  1
  Al  Al19  1  0.767838  0.851678  0.308558  1
  Al  Al20  1  0.767838  0.508033  0.363569  1
  Al  Al21  1  0.267838  0.203574  0.339936  1
  Al  Al22  1  0.267838  0.552292  0.288860  1
  Al  Al23  1  0.267838  0.139936  0.274785  1
  Al  Al24  1  0.267838  0.797576  0.325193  1
  Al  Al25  1  0.767838  0.426128  0.459743  1
  Al  Al26  1  0.767838  0.771381  0.404456  1
  Al  Al27  1  0.571639  0.542840  0.415525  1
  Al  Al28  1  0.571169  0.199996  0.471146  1
  Al  Al29  1  0.964038  0.542840  0.415525  1
  Al  Al30  1  0.964508  0.199996  0.471146  1
  Al  Al31  1  0.463713  0.325305  0.427226  1
  Al  Al32  1  0.464730  0.983027  0.483390  1
  Al  Al33  1  0.570581  0.298702  0.374438  1
  Al  Al34  1  0.570013  0.955578  0.430304  1
  Al  Al35  1  0.070277  0.080891  0.385776  1
  Al  Al36  1  0.070306  0.737432  0.442134  1
  Al  Al37  1  0.965096  0.298702  0.374438  1
  Al  Al38  1  0.965664  0.955578  0.430304  1
  Al  Al39  1  0.465400  0.080891  0.385776  1
  Al  Al40  1  0.465371  0.737432  0.442134  1
  Al  Al41  1  0.071963  0.325305  0.427226  1
  Al  Al42  1  0.070947  0.983027  0.483390  1
  Al  Al43  1  0.767838  0.167976  0.421000  1
  Al  Al44  1  0.767838  0.824333  0.476882  1
  Al  Al45  1  0.267838  0.508902  0.453447  1
  Al  Al46  1  0.267838  0.854630  0.398217  1
  Al  Al47  1  0.267838  0.456054  0.381288  1
  Al  Al48  1  0.267838  0.112191  0.435875  1
  Al  Al49  1  0.767838  0.738167  0.570854  1
  Al  Al50  1  0.767838  0.083895  0.515623  1
  Al  Al51  1  0.570306  0.855366  0.526937  1
  Al  Al52  1  0.570277  0.511906  0.583295  1
  Al  Al53  1  0.965371  0.855366  0.526937  1
  Al  Al54  1  0.965400  0.511906  0.583295  1
  Al  Al55  1  0.465664  0.637219  0.538766  1
  Al  Al56  1  0.465096  0.294095  0.594633  1
  Al  Al57  1  0.570947  0.609770  0.485681  1
  Al  Al58  1  0.571963  0.267492  0.541844  1
  Al  Al59  1  0.071169  0.392802  0.497924  1
  Al  Al60  1  0.071639  0.049957  0.553545  1
  Al  Al61  1  0.964730  0.609770  0.485681  1
  Al  Al62  1  0.963713  0.267492  0.541844  1
  Al  Al63  1  0.464508  0.392802  0.497924  1
  Al  Al64  1  0.464038  0.049957  0.553545  1
  Al  Al65  1  0.070013  0.637219  0.538766  1
  Al  Al66  1  0.070581  0.294095  0.594633  1
  Al  Al67  1  0.767838  0.480606  0.533196  1
  Al  Al68  1  0.767838  0.136744  0.587782  1
  Al  Al69  1  0.267838  0.821416  0.564615  1
  Al  Al70  1  0.267838  0.166669  0.509328  1
  Al  Al71  1  0.267838  0.768464  0.492189  1
  Al  Al72  1  0.267838  0.424821  0.548070  1
  Al  Al73  1  0.767838  0.040506  0.680211  1
  Al  Al74  1  0.767838  0.389223  0.629135  1
  Al  Al75  1  0.570599  0.169832  0.638135  1
  Al  Al76  1  0.571516  0.829369  0.694835  1
  Al  Al77  1  0.965077  0.169832  0.638135  1
  Al  Al78  1  0.964161  0.829369  0.694835  1
  Al  Al79  1  0.466659  0.949398  0.649517  1
  Al  Al80  1  0.460382  0.596839  0.704203  1
  Al  Al81  1  0.569182  0.920757  0.596357  1
  Al  Al82  1  0.572895  0.574220  0.651410  1
  Al  Al83  1  0.072885  0.705650  0.609757  1
  Al  Al84  1  0.074300  0.356854  0.669904  1
  Al  Al85  1  0.966495  0.920757  0.596357  1
  Al  Al86  1  0.962782  0.574220  0.651410  1
  Al  Al87  1  0.462792  0.705650  0.609757  1
  Al  Al88  1  0.461377  0.356854  0.669904  1
  Al  Al89  1  0.069018  0.949398  0.649517  1
  Al  Al90  1  0.075295  0.596839  0.704203  1
  Al  Al91  1  0.767838  0.795221  0.643877  1
  Al  Al92  1  0.767838  0.452862  0.694285  1
  Al  Al93  1  0.267838  0.134987  0.673572  1
  Al  Al94  1  0.267838  0.477110  0.619014  1
  Al  Al95  1  0.267838  0.084764  0.605501  1
  Al  Al96  1  0.267838  0.741119  0.660512  1
  Ni  Ni97  1  0.767838  0.324072  0.334933  1
  Ni  Ni98  1  0.767838  0.669067  0.279015  1
  Ni  Ni99  1  0.767838  0.063520  0.302626  1
  Ni  Ni100  1  0.767838  0.721156  0.354501  1
  Ni  Ni101  1  0.267838  0.971496  0.355535  1
  Ni  Ni102  1  0.267838  0.332322  0.296614  1
  Ni  Ni103  1  0.267838  0.929586  0.282367  1
  Ni  Ni104  1  0.267838  0.589387  0.338716  1
  Ni  Ni105  1  0.767838  0.649529  0.446840  1
  Ni  Ni106  1  0.767838  0.991185  0.391553  1
  Ni  Ni107  1  0.767838  0.377838  0.409732  1
  Ni  Ni108  1  0.767838  0.034152  0.465720  1
  Ni  Ni109  1  0.267838  0.285861  0.466388  1
  Ni  Ni110  1  0.267838  0.630471  0.411108  1
  Ni  Ni111  1  0.267838  0.245751  0.391204  1
  Ni  Ni112  1  0.267838  0.902908  0.448077  1
  Ni  Ni113  1  0.767838  0.962326  0.557962  1
  Ni  Ni114  1  0.767838  0.306936  0.502683  1
  Ni  Ni115  1  0.767838  0.689889  0.520994  1
  Ni  Ni116  1  0.767838  0.347046  0.577866  1
  Ni  Ni117  1  0.267838  0.601612  0.577517  1
  Ni  Ni118  1  0.267838  0.943268  0.522230  1
  Ni  Ni119  1  0.267838  0.558645  0.503350  1
  Ni  Ni120  1  0.267838  0.214960  0.559338  1
  Ni  Ni121  1  0.767838  0.260475  0.672457  1
  Ni  Ni122  1  0.767838  0.621301  0.613536  1
  Ni  Ni123  1  0.767838  0.003410  0.630354  1
  Ni  Ni124  1  0.767838  0.663211  0.686703  1
  Ni  Ni125  1  0.267838  0.923731  0.690055  1
  Ni  Ni126  1  0.267838  0.268725  0.634138  1
  Ni  Ni127  1  0.267838  0.871641  0.614569  1
  Ni  Ni128  1  0.267838  0.529277  0.666444  1
