# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58754170
_cell_length_b   16.03965992
_cell_length_c   46.63517416
_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   'Al108 Ni36'
_cell_volume   4927.56244147
_cell_formula_units_Z   36
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  0.010126  0.128702  0.392121  1
  Al  Al2  1  0.004087  0.657779  0.309679  1
  Al  Al3  1  0.038353  0.392597  0.346875  1
  Al  Al4  1  0.178080  0.824665  0.303042  1
  Al  Al5  1  0.175712  0.564075  0.349573  1
  Al  Al6  1  0.181358  0.305156  0.395926  1
  Al  Al7  1  0.164079  0.959114  0.387064  1
  Al  Al8  1  0.158497  0.483484  0.296586  1
  Al  Al9  1  0.170065  0.220500  0.341997  1
  Al  Al10  1  0.329323  0.983484  0.296586  1
  Al  Al11  1  0.317754  0.720500  0.341997  1
  Al  Al12  1  0.323740  0.459114  0.387064  1
  Al  Al13  1  0.670900  0.116800  0.431442  1
  Al  Al14  1  0.658552  0.638076  0.336847  1
  Al  Al15  1  0.680135  0.379766  0.382993  1
  Al  Al16  1  0.829268  0.138076  0.336847  1
  Al  Al17  1  0.807685  0.879766  0.382993  1
  Al  Al18  1  0.816919  0.616800  0.431442  1
  Al  Al19  1  0.671525  0.032535  0.375019  1
  Al  Al20  1  0.671454  0.769992  0.422354  1
  Al  Al21  1  0.705948  0.308302  0.325056  1
  Al  Al22  1  0.816366  0.269992  0.422354  1
  Al  Al23  1  0.781872  0.808302  0.325056  1
  Al  Al24  1  0.816294  0.532535  0.375019  1
  Al  Al25  1  0.312107  0.064075  0.349573  1
  Al  Al26  1  0.306462  0.805156  0.395926  1
  Al  Al27  1  0.309740  0.324665  0.303042  1
  Al  Al28  1  0.520521  0.203797  0.374925  1
  Al  Al29  1  0.507770  0.947677  0.425461  1
  Al  Al30  1  0.499500  0.470558  0.331146  1
  Al  Al31  1  0.988320  0.970558  0.331146  1
  Al  Al32  1  0.967299  0.703797  0.374925  1
  Al  Al33  1  0.980050  0.447677  0.425461  1
  Al  Al34  1  0.449467  0.892597  0.346875  1
  Al  Al35  1  0.477694  0.628702  0.392121  1
  Al  Al36  1  0.483733  0.157779  0.309679  1
  Al  Al37  1  0.010124  0.345499  0.537260  1
  Al  Al38  1  0.009514  0.867867  0.440853  1
  Al  Al39  1  0.013410  0.607232  0.489204  1
  Al  Al40  1  0.170102  0.046542  0.444512  1
  Al  Al41  1  0.172472  0.785247  0.492563  1
  Al  Al42  1  0.175462  0.523923  0.540758  1
  Al  Al43  1  0.169027  0.177585  0.531722  1
  Al  Al44  1  0.168837  0.699646  0.435229  1
  Al  Al45  1  0.172564  0.438642  0.483321  1
  Al  Al46  1  0.318983  0.199646  0.435229  1
  Al  Al47  1  0.315256  0.938642  0.483321  1
  Al  Al48  1  0.318793  0.677585  0.531722  1
  Al  Al49  1  0.668837  0.333277  0.576164  1
  Al  Al50  1  0.669027  0.855338  0.479671  1
  Al  Al51  1  0.672564  0.594282  0.528072  1
  Al  Al52  1  0.818793  0.355338  0.479671  1
  Al  Al53  1  0.815256  0.094282  0.528072  1
  Al  Al54  1  0.818983  0.833277  0.576164  1
  Al  Al55  1  0.672472  0.247676  0.518830  1
  Al  Al56  1  0.670102  0.986382  0.566882  1
  Al  Al57  1  0.675462  0.509001  0.470636  1
  Al  Al58  1  0.817717  0.486382  0.566882  1
  Al  Al59  1  0.812358  1.009001  0.470636  1
  Al  Al60  1  0.815348  0.747676  0.518830  1
  Al  Al61  1  0.315348  0.285247  0.492563  1
  Al  Al62  1  0.312358  0.023923  0.540758  1
  Al  Al63  1  0.317717  0.546542  0.444512  1
  Al  Al64  1  0.513410  0.425691  0.522189  1
  Al  Al65  1  0.509514  0.165057  0.570541  1
  Al  Al66  1  0.510124  0.687424  0.474133  1
  Al  Al67  1  0.977695  0.187424  0.474133  1
  Al  Al68  1  0.974409  0.925691  0.522189  1
  Al  Al69  1  0.978305  0.665057  0.570541  1
  Al  Al70  1  0.474409  0.107232  0.489204  1
  Al  Al71  1  0.477695  0.845499  0.537260  1
  Al  Al72  1  0.478305  0.367867  0.440853  1
  Al  Al73  1  -0.000500  0.562366  0.680247  1
  Al  Al74  1  0.007770  0.085246  0.585932  1
  Al  Al75  1  0.020521  0.829126  0.636469  1
  Al  Al76  1  0.171454  0.262931  0.589039  1
  Al  Al77  1  0.171525  1.000389  0.636374  1
  Al  Al78  1  0.205948  0.724622  0.686338  1
  Al  Al79  1  0.158552  0.394848  0.674546  1
  Al  Al80  1  0.170900  0.916124  0.579951  1
  Al  Al81  1  0.180135  0.653157  0.628401  1
  Al  Al82  1  0.316919  0.416124  0.579951  1
  Al  Al83  1  0.307685  0.153157  0.628401  1
  Al  Al84  1  0.329268  0.894848  0.674546  1
  Al  Al85  1  0.658497  0.549440  0.714808  1
  Al  Al86  1  0.664079  0.073810  0.624329  1
  Al  Al87  1  0.670065  0.812424  0.669396  1
  Al  Al88  1  0.823740  0.573810  0.624329  1
  Al  Al89  1  0.817754  0.312424  0.669396  1
  Al  Al90  1  0.829323  0.049440  0.714808  1
  Al  Al91  1  0.675712  0.468849  0.661821  1
  Al  Al92  1  0.678080  0.208258  0.708351  1
  Al  Al93  1  0.681358  0.727768  0.615467  1
  Al  Al94  1  0.809740  0.708258  0.708351  1
  Al  Al95  1  0.806462  0.227768  0.615467  1
  Al  Al96  1  0.812107  0.968849  0.661821  1
  Al  Al97  1  0.316294  0.500389  0.636374  1
  Al  Al98  1  0.281872  0.224622  0.686338  1
  Al  Al99  1  0.316366  0.762931  0.589039  1
  Al  Al100  1  0.538353  0.640327  0.664519  1
  Al  Al101  1  0.504087  0.375145  0.701714  1
  Al  Al102  1  0.510126  0.904222  0.619272  1
  Al  Al103  1  0.977694  0.404222  0.619272  1
  Al  Al104  1  0.949467  0.140327  0.664519  1
  Al  Al105  1  0.983733  0.875145  0.701714  1
  Al  Al106  1  0.467299  0.329126  0.636469  1
  Al  Al107  1  0.488320  0.062366  0.680247  1
  Al  Al108  1  0.480050  0.585246  0.585932  1
  Ni  Ni109  1  0.868095  0.994626  0.417762  1
  Ni  Ni110  1  0.854556  0.511928  0.323383  1
  Ni  Ni111  1  0.870916  0.258409  0.369565  1
  Ni  Ni112  1  0.366662  0.082483  0.401415  1
  Ni  Ni113  1  0.363941  0.607565  0.306239  1
  Ni  Ni114  1  0.391139  0.337905  0.353560  1
  Ni  Ni115  1  0.123878  0.107565  0.306239  1
  Ni  Ni116  1  0.096680  0.837905  0.353560  1
  Ni  Ni117  1  0.121157  0.582483  0.401415  1
  Ni  Ni118  1  0.633264  0.011928  0.323383  1
  Ni  Ni119  1  0.616904  0.758409  0.369565  1
  Ni  Ni120  1  0.619725  0.494626  0.417762  1
  Ni  Ni121  1  0.868300  0.211609  0.562302  1
  Ni  Ni122  1  0.868964  0.733630  0.465710  1
  Ni  Ni123  1  0.872379  0.472774  0.513784  1
  Ni  Ni124  1  0.368964  0.299294  0.545683  1
  Ni  Ni125  1  0.368300  0.821314  0.449091  1
  Ni  Ni126  1  0.372379  0.560150  0.497609  1
  Ni  Ni127  1  0.119519  0.321314  0.449091  1
  Ni  Ni128  1  0.115441  0.060150  0.497609  1
  Ni  Ni129  1  0.118856  0.799294  0.545683  1
  Ni  Ni130  1  0.618856  0.233630  0.465710  1
  Ni  Ni131  1  0.615441  0.972774  0.513784  1
  Ni  Ni132  1  0.619519  0.711609  0.562302  1
  Ni  Ni133  1  0.863941  0.425358  0.705154  1
  Ni  Ni134  1  0.866662  0.950441  0.609979  1
  Ni  Ni135  1  0.891139  0.695018  0.657834  1
  Ni  Ni136  1  0.354556  0.520995  0.688010  1
  Ni  Ni137  1  0.368095  0.038298  0.593631  1
  Ni  Ni138  1  0.370916  0.774515  0.641828  1
  Ni  Ni139  1  0.119725  0.538298  0.593631  1
  Ni  Ni140  1  0.116904  0.274515  0.641828  1
  Ni  Ni141  1  0.133264  0.020995  0.688010  1
  Ni  Ni142  1  0.621157  0.450441  0.609979  1
  Ni  Ni143  1  0.596680  0.195018  0.657834  1
  Ni  Ni144  1  0.623878  0.925358  0.705154  1
