# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72827510
_cell_length_b   18.22661895
_cell_length_c   53.54050630
_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   4614.14591719
_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  0.426575  0.621907  0.378858  1
  Al  Al2  1  0.416856  0.878019  0.330200  1
  Al  Al3  1  0.476636  0.103628  0.281839  1
  Al  Al4  1  0.723102  0.701099  0.314858  1
  Al  Al5  1  0.745663  0.179660  0.413966  1
  Al  Al6  1  0.750715  0.439615  0.367559  1
  Al  Al7  1  0.730512  0.806241  0.387496  1
  Al  Al8  1  0.760955  0.069704  0.343827  1
  Al  Al9  1  0.785673  0.341842  0.292013  1
  Al  Al10  1  0.759967  0.569704  0.343827  1
  Al  Al11  1  0.735249  0.841842  0.292013  1
  Al  Al12  1  0.790410  0.306241  0.387496  1
  Al  Al13  1  0.221669  0.766837  0.304029  1
  Al  Al14  1  0.249953  0.241840  0.403292  1
  Al  Al15  1  0.246689  0.503018  0.357764  1
  Al  Al16  1  0.270969  0.741840  0.403292  1
  Al  Al17  1  0.274233  0.003018  0.357764  1
  Al  Al18  1  0.299253  0.266837  0.304029  1
  Al  Al19  1  0.231805  0.865783  0.376423  1
  Al  Al20  1  0.269453  0.134812  0.329384  1
  Al  Al21  1  0.340977  0.470595  0.276978  1
  Al  Al22  1  0.251469  0.634812  0.329384  1
  Al  Al23  1  0.179945  0.970595  0.276978  1
  Al  Al24  1  0.289117  0.365783  0.376423  1
  Al  Al25  1  0.775258  0.679660  0.413966  1
  Al  Al26  1  0.770207  0.939615  0.367559  1
  Al  Al27  1  0.797820  0.201099  0.314858  1
  Al  Al28  1  0.927097  0.696032  0.363262  1
  Al  Al29  1  0.927975  0.947492  0.318980  1
  Al  Al30  1  0.945117  0.428686  0.413113  1
  Al  Al31  1  0.575805  0.928686  0.413113  1
  Al  Al32  1  0.593825  0.196032  0.363262  1
  Al  Al33  1  0.592947  0.447492  0.318980  1
  Al  Al34  1  0.044286  0.603628  0.281839  1
  Al  Al35  1  0.094347  0.121907  0.378858  1
  Al  Al36  1  0.104066  0.378019  0.330200  1
  Al  Al37  1  0.441277  0.832075  0.521332  1
  Al  Al38  1  0.440486  0.094864  0.473756  1
  Al  Al39  1  0.444917  0.356707  0.426032  1
  Al  Al40  1  0.742910  0.917018  0.461985  1
  Al  Al41  1  0.741895  0.392832  0.556729  1
  Al  Al42  1  0.744176  0.655349  0.509438  1
  Al  Al43  1  0.742685  0.021004  0.530845  1
  Al  Al44  1  0.743447  0.282929  0.483538  1
  Al  Al45  1  0.743741  0.545142  0.436352  1
  Al  Al46  1  0.777475  0.782929  0.483538  1
  Al  Al47  1  0.777180  0.045142  0.436352  1
  Al  Al48  1  0.778237  0.521004  0.530845  1
  Al  Al49  1  0.242685  0.979467  0.450740  1
  Al  Al50  1  0.243741  0.455329  0.545233  1
  Al  Al51  1  0.243447  0.717542  0.498047  1
  Al  Al52  1  0.277180  0.955329  0.545233  1
  Al  Al53  1  0.277475  0.217542  0.498047  1
  Al  Al54  1  0.278237  0.479467  0.450740  1
  Al  Al55  1  0.242910  0.083453  0.519600  1
  Al  Al56  1  0.244176  0.345122  0.472147  1
  Al  Al57  1  0.241895  0.607639  0.424856  1
  Al  Al58  1  0.276746  0.845122  0.472147  1
  Al  Al59  1  0.279027  0.107639  0.424856  1
  Al  Al60  1  0.278012  0.583453  0.519600  1
  Al  Al61  1  0.779027  0.892832  0.556729  1
  Al  Al62  1  0.776746  0.155349  0.509438  1
  Al  Al63  1  0.778012  0.417018  0.461985  1
  Al  Al64  1  0.940486  0.905606  0.507829  1
  Al  Al65  1  0.941277  0.168395  0.460253  1
  Al  Al66  1  0.944917  0.643764  0.555553  1
  Al  Al67  1  0.576005  0.143764  0.555553  1
  Al  Al68  1  0.580436  0.405606  0.507829  1
  Al  Al69  1  0.579645  0.668395  0.460253  1
  Al  Al70  1  0.076005  0.856707  0.426032  1
  Al  Al71  1  0.079645  0.332075  0.521332  1
  Al  Al72  1  0.080436  0.594864  0.473756  1
  Al  Al73  1  0.427975  0.052979  0.662605  1
  Al  Al74  1  0.427097  0.304439  0.618323  1
  Al  Al75  1  0.445117  0.571785  0.568472  1
  Al  Al76  1  0.731805  0.134687  0.605162  1
  Al  Al77  1  0.840977  0.529876  0.704607  1
  Al  Al78  1  0.769453  0.865659  0.652201  1
  Al  Al79  1  0.721669  0.233633  0.677556  1
  Al  Al80  1  0.746689  0.497453  0.623821  1
  Al  Al81  1  0.749953  0.758631  0.578293  1
  Al  Al82  1  0.774233  0.997453  0.623821  1
  Al  Al83  1  0.770969  0.258631  0.578293  1
  Al  Al84  1  0.799253  0.733633  0.677556  1
  Al  Al85  1  0.230512  0.194230  0.594089  1
  Al  Al86  1  0.285673  0.658629  0.689572  1
  Al  Al87  1  0.260955  0.930767  0.637758  1
  Al  Al88  1  0.235249  0.158629  0.689572  1
  Al  Al89  1  0.259967  0.430767  0.637758  1
  Al  Al90  1  0.290410  0.694230  0.594089  1
  Al  Al91  1  0.223102  0.299372  0.666727  1
  Al  Al92  1  0.250715  0.560856  0.614026  1
  Al  Al93  1  0.245663  0.820811  0.567619  1
  Al  Al94  1  0.270207  0.060856  0.614026  1
  Al  Al95  1  0.275258  0.320811  0.567619  1
  Al  Al96  1  0.297820  0.799372  0.666727  1
  Al  Al97  1  0.679945  0.029876  0.704607  1
  Al  Al98  1  0.751469  0.365659  0.652201  1
  Al  Al99  1  0.789117  0.634687  0.605162  1
  Al  Al100  1  0.916856  0.122452  0.651385  1
  Al  Al101  1  0.926575  0.378564  0.602727  1
  Al  Al102  1  0.976636  0.896843  0.699746  1
  Al  Al103  1  0.544286  0.396843  0.699746  1
  Al  Al104  1  0.604066  0.622452  0.651385  1
  Al  Al105  1  0.594347  0.878564  0.602727  1
  Al  Al106  1  0.075805  0.071785  0.568472  1
  Al  Al107  1  0.092947  0.552979  0.662605  1
  Al  Al108  1  0.093825  0.804439  0.618323  1
  Ni  Ni109  1  0.416512  0.753308  0.351663  1
  Ni  Ni110  1  0.443373  0.007997  0.313202  1
  Ni  Ni111  1  0.426068  0.492132  0.402338  1
  Ni  Ni112  1  0.906873  0.817419  0.340193  1
  Ni  Ni113  1  0.952545  0.071306  0.299809  1
  Ni  Ni114  1  0.916422  0.556530  0.390789  1
  Ni  Ni115  1  0.568377  0.571306  0.299809  1
  Ni  Ni116  1  0.604500  0.056530  0.390789  1
  Ni  Ni117  1  0.614048  0.317419  0.340193  1
  Ni  Ni118  1  0.077549  0.507997  0.313202  1
  Ni  Ni119  1  0.094854  0.992132  0.402338  1
  Ni  Ni120  1  0.104410  0.253308  0.351663  1
  Ni  Ni121  1  0.422972  0.968090  0.496484  1
  Ni  Ni122  1  0.426309  0.230203  0.448916  1
  Ni  Ni123  1  0.424589  0.706008  0.543976  1
  Ni  Ni124  1  0.922972  0.032381  0.485101  1
  Ni  Ni125  1  0.924589  0.294463  0.437609  1
  Ni  Ni126  1  0.926309  0.770268  0.532669  1
  Ni  Ni127  1  0.596333  0.794463  0.437609  1
  Ni  Ni128  1  0.594613  0.270268  0.532669  1
  Ni  Ni129  1  0.597949  0.532381  0.485101  1
  Ni  Ni130  1  0.094613  0.730203  0.448916  1
  Ni  Ni131  1  0.096333  0.206008  0.543976  1
  Ni  Ni132  1  0.097949  0.468090  0.496484  1
  Ni  Ni133  1  0.406873  0.183052  0.641392  1
  Ni  Ni134  1  0.416422  0.443941  0.590796  1
  Ni  Ni135  1  0.452545  0.929165  0.681776  1
  Ni  Ni136  1  0.916512  0.247163  0.629922  1
  Ni  Ni137  1  0.926068  0.508339  0.579247  1
  Ni  Ni138  1  0.943373  0.992473  0.668383  1
  Ni  Ni139  1  0.594854  0.008339  0.579247  1
  Ni  Ni140  1  0.577549  0.492473  0.668383  1
  Ni  Ni141  1  0.604410  0.747163  0.629922  1
  Ni  Ni142  1  0.104500  0.943941  0.590796  1
  Ni  Ni143  1  0.068377  0.429165  0.681776  1
  Ni  Ni144  1  0.114048  0.683052  0.641392  1
