# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89647617
_cell_length_b   14.86128568
_cell_length_c   51.40007445
_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   3740.27708218
_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  0.605773  0.684233  0.341733  1
  Al  Al2  1  0.602644  0.060383  0.281975  1
  Al  Al3  1  0.124671  0.694405  0.309234  1
  Al  Al4  1  0.131994  0.317915  0.370231  1
  Al  Al5  1  0.130020  0.791098  0.356839  1
  Al  Al6  1  0.119539  0.172173  0.291824  1
  Al  Al7  1  0.626105  0.723555  0.285313  1
  Al  Al8  1  0.631000  0.346010  0.347463  1
  Al  Al9  1  0.375924  0.885200  0.277861  1
  Al  Al10  1  0.368868  0.506749  0.339164  1
  Al  Al11  1  0.879141  0.061436  0.330008  1
  Al  Al12  1  0.864131  0.438520  0.268042  1
  Al  Al13  1  0.373648  0.978292  0.325991  1
  Al  Al14  1  0.355578  0.351253  0.263814  1
  Al  Al15  1  0.878104  0.913511  0.255294  1
  Al  Al16  1  0.868242  0.531776  0.317219  1
  Al  Al17  1  0.630910  0.871266  0.361697  1
  Al  Al18  1  0.626982  0.251432  0.300234  1
  Al  Al19  1  0.897766  0.875269  0.310647  1
  Al  Al20  1  0.896363  0.496005  0.373401  1
  Al  Al21  1  0.397013  0.164672  0.343947  1
  Al  Al22  1  0.385494  0.545209  0.282620  1
  Al  Al23  1  0.121137  0.729114  0.256115  1
  Al  Al24  1  0.103084  0.355745  0.313872  1
  Al  Al25  1  0.605664  0.932603  0.467346  1
  Al  Al26  1  0.606397  0.308790  0.404355  1
  Al  Al27  1  0.129220  0.941898  0.433272  1
  Al  Al28  1  0.129785  0.565608  0.495941  1
  Al  Al29  1  0.129057  0.038594  0.482027  1
  Al  Al30  1  0.130035  0.414646  0.419377  1
  Al  Al31  1  0.629140  0.968622  0.410393  1
  Al  Al32  1  0.629867  0.592173  0.473231  1
  Al  Al33  1  0.373009  0.130180  0.401502  1
  Al  Al34  1  0.373288  0.753714  0.464687  1
  Al  Al35  1  0.872905  0.307471  0.455441  1
  Al  Al36  1  0.873072  0.683916  0.393075  1
  Al  Al37  1  0.373075  0.226880  0.450542  1
  Al  Al38  1  0.373803  0.602910  0.388192  1
  Al  Al39  1  0.872554  0.157216  0.378670  1
  Al  Al40  1  0.873250  0.780365  0.441937  1
  Al  Al41  1  0.629042  0.119399  0.486784  1
  Al  Al42  1  0.629718  0.495433  0.424284  1
  Al  Al43  1  0.896770  0.120594  0.435766  1
  Al  Al44  1  0.897018  0.744226  0.498815  1
  Al  Al45  1  0.396795  0.413659  0.470359  1
  Al  Al46  1  0.397102  0.789854  0.407821  1
  Al  Al47  1  0.106280  0.978128  0.376348  1
  Al  Al48  1  0.106009  0.601721  0.439102  1
  Al  Al49  1  0.605597  0.179801  0.592558  1
  Al  Al50  1  0.605904  0.555996  0.530019  1
  Al  Al51  1  0.129448  0.189290  0.558441  1
  Al  Al52  1  0.130145  0.812439  0.621709  1
  Al  Al53  1  0.129627  0.285739  0.607304  1
  Al  Al54  1  0.129794  0.662184  0.544937  1
  Al  Al55  1  0.629411  0.215941  0.535692  1
  Al  Al56  1  0.629689  0.839475  0.598876  1
  Al  Al57  1  0.372832  0.377482  0.527148  1
  Al  Al58  1  0.373559  1.001033  0.589985  1
  Al  Al59  1  0.872664  0.555009  0.581001  1
  Al  Al60  1  0.873642  0.931061  0.518351  1
  Al  Al61  1  0.372981  0.474222  0.576095  1
  Al  Al62  1  0.373657  0.850256  0.513594  1
  Al  Al63  1  0.872913  0.404047  0.504438  1
  Al  Al64  1  0.873479  0.027757  0.567106  1
  Al  Al65  1  0.628896  0.366745  0.612187  1
  Al  Al66  1  0.629623  0.742775  0.549837  1
  Al  Al67  1  0.896689  0.367934  0.561277  1
  Al  Al68  1  0.896418  0.991527  0.624030  1
  Al  Al69  1  0.396302  0.660865  0.596024  1
  Al  Al70  1  0.397035  0.037052  0.533032  1
  Al  Al71  1  0.105681  0.225429  0.501564  1
  Al  Al72  1  0.105928  0.849061  0.564612  1
  Al  Al73  1  0.617204  0.424446  0.717758  1
  Al  Al74  1  0.605686  0.804983  0.656432  1
  Al  Al75  1  0.134456  0.437879  0.683160  1
  Al  Al76  1  0.124595  0.056144  0.745084  1
  Al  Al77  1  0.138568  0.531135  0.732336  1
  Al  Al78  1  0.123557  0.908219  0.670371  1
  Al  Al79  1  0.633831  0.462906  0.661215  1
  Al  Al80  1  0.626775  0.084455  0.722518  1
  Al  Al81  1  0.371698  0.623645  0.652915  1
  Al  Al82  1  0.376594  0.246101  0.715066  1
  Al  Al83  1  0.883160  0.797482  0.708555  1
  Al  Al84  1  0.872679  0.178557  0.643539  1
  Al  Al85  1  0.375717  0.718223  0.700145  1
  Al  Al86  1  0.371788  0.098389  0.638682  1
  Al  Al87  1  0.870704  0.651740  0.630147  1
  Al  Al88  1  0.878028  0.275250  0.691145  1
  Al  Al89  1  0.647120  0.618402  0.736564  1
  Al  Al90  1  0.629051  0.991363  0.674388  1
  Al  Al91  1  0.899614  0.613910  0.686506  1
  Al  Al92  1  0.881562  0.240541  0.744263  1
  Al  Al93  1  0.400054  0.909272  0.718403  1
  Al  Al94  1  0.396926  0.285422  0.658646  1
  Al  Al95  1  0.106336  0.473650  0.626978  1
  Al  Al96  1  0.104932  0.094386  0.689731  1
  Ni  Ni97  1  0.088794  0.011612  0.288135  1
  Ni  Ni98  1  0.076190  0.630079  0.351566  1
  Ni  Ni99  1  0.425531  0.818519  0.319900  1
  Ni  Ni100  1  0.470084  0.194164  0.259233  1
  Ni  Ni101  1  0.904108  0.596866  0.275121  1
  Ni  Ni102  1  0.929410  0.220960  0.335649  1
  Ni  Ni103  1  0.582106  0.032171  0.367144  1
  Ni  Ni104  1  0.568418  0.410945  0.304324  1
  Ni  Ni105  1  0.078616  0.254369  0.413399  1
  Ni  Ni106  1  0.079135  0.878105  0.476444  1
  Ni  Ni107  1  0.423073  0.066507  0.444810  1
  Ni  Ni108  1  0.423157  0.442657  0.382206  1
  Ni  Ni109  1  0.924652  0.844293  0.398808  1
  Ni  Ni110  1  0.924071  0.467846  0.461358  1
  Ni  Ni111  1  0.578781  0.279741  0.492570  1
  Ni  Ni112  1  0.579067  0.655929  0.430151  1
  Ni  Ni113  1  0.078628  0.501809  0.539021  1
  Ni  Ni114  1  0.078046  0.125362  0.601571  1
  Ni  Ni115  1  0.423632  0.313726  0.570227  1
  Ni  Ni116  1  0.423918  0.689914  0.507809  1
  Ni  Ni117  1  0.923563  0.091550  0.523934  1
  Ni  Ni118  1  0.924083  0.715286  0.586980  1
  Ni  Ni119  1  0.579542  0.526998  0.618173  1
  Ni  Ni120  1  0.579626  0.903148  0.555568  1
  Ni  Ni121  1  0.073289  0.748695  0.664730  1
  Ni  Ni122  1  0.098590  0.372789  0.725257  1
  Ni  Ni123  1  0.434280  0.558710  0.696055  1
  Ni  Ni124  1  0.420593  0.937484  0.633235  1
  Ni  Ni125  1  0.926509  0.339576  0.648813  1
  Ni  Ni126  1  0.913905  0.958043  0.712244  1
  Ni  Ni127  1  0.532615  0.775491  0.741146  1
  Ni  Ni128  1  0.577167  0.151136  0.680479  1
