# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96171400
_cell_length_b   9.99333302
_cell_length_c   50.01089904
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.27967943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5284.74068753
_cell_formula_units_Z   40
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  0.870036  0.375741  0.299165  1
  Al  Al2  1  0.476596  0.256137  0.344563  1
  Al  Al3  1  0.146129  0.478164  0.348042  1
  Al  Al4  1  0.530720  0.584702  0.300383  1
  Al  Al5  1  0.064768  0.141343  0.307853  1
  Al  Al6  1  0.649357  0.995094  0.351543  1
  Al  Al7  1  0.088082  0.618732  0.306252  1
  Al  Al8  1  0.668581  0.504413  0.351307  1
  Al  Al9  1  0.791656  0.606480  0.305467  1
  Al  Al10  1  0.398485  0.490335  0.346069  1
  Al  Al11  1  0.812324  0.110300  0.305243  1
  Al  Al12  1  0.405494  0.991865  0.349494  1
  Al  Al13  1  0.897077  0.998167  0.348326  1
  Al  Al14  1  0.296328  0.087659  0.302260  1
  Al  Al15  1  0.913473  0.507062  0.346809  1
  Al  Al16  1  0.336434  0.701269  0.290230  1
  Al  Al17  1  0.158122  0.996966  0.347658  1
  Al  Al18  1  0.549655  0.101006  0.303153  1
  Al  Al19  1  0.196805  0.402854  0.298824  1
  Al  Al20  1  0.728678  0.257525  0.344449  1
  Al  Al21  1  0.996183  0.831592  0.314477  1
  Al  Al22  1  0.583492  0.714978  0.358304  1
  Al  Al23  1  0.714758  0.832999  0.311807  1
  Al  Al24  1  0.325498  0.713025  0.355971  1
  Al  Al25  1  0.067029  0.155464  0.380437  1
  Al  Al26  1  0.661131  0.033303  0.423560  1
  Al  Al27  1  0.330101  0.248827  0.433370  1
  Al  Al28  1  0.739478  0.366256  0.392269  1
  Al  Al29  1  0.239923  0.875959  0.392319  1
  Al  Al30  1  0.833775  0.759448  0.434186  1
  Al  Al31  1  0.258083  0.384475  0.390430  1
  Al  Al32  1  0.849617  0.263867  0.432678  1
  Al  Al33  1  0.986188  0.372789  0.389689  1
  Al  Al34  1  0.577241  0.250927  0.432421  1
  Al  Al35  1  1.001922  0.877016  0.387925  1
  Al  Al36  1  0.593776  0.757346  0.430741  1
  Al  Al37  1  0.079530  0.762068  0.432816  1
  Al  Al38  1  0.489028  0.879426  0.392217  1
  Al  Al39  1  0.095905  0.266579  0.430975  1
  Al  Al40  1  0.503857  0.388583  0.390890  1
  Al  Al41  1  0.344475  0.752365  0.431800  1
  Al  Al42  1  0.756082  0.871156  0.389662  1
  Al  Al43  1  0.319542  0.143081  0.385366  1
  Al  Al44  1  0.917212  0.025668  0.425797  1
  Al  Al45  1  0.173698  0.599979  0.399473  1
  Al  Al46  1  0.767739  0.483076  0.441186  1
  Al  Al47  1  0.918753  0.610783  0.395492  1
  Al  Al48  1  0.510072  0.490622  0.438865  1
  Al  Al49  1  0.249889  0.913082  0.465337  1
  Al  Al50  1  0.842871  0.795188  0.506617  1
  Al  Al51  1  0.513422  0.010200  0.516399  1
  Al  Al52  1  0.922284  0.129393  0.474520  1
  Al  Al53  1  0.423875  0.639697  0.476101  1
  Al  Al54  1  0.016361  0.521106  0.517576  1
  Al  Al55  1  0.439513  0.143874  0.474582  1
  Al  Al56  1  0.031720  0.025497  0.515993  1
  Al  Al57  1  0.169283  0.132655  0.473606  1
  Al  Al58  1  0.761490  0.014278  0.515018  1
  Al  Al59  1  0.184642  0.637046  0.472023  1
  Al  Al60  1  0.777128  0.518454  0.513499  1
  Al  Al61  1  0.262794  0.523669  0.516470  1
  Al  Al62  1  0.672203  0.643454  0.474750  1
  Al  Al63  1  0.278719  0.028758  0.515080  1
  Al  Al64  1  0.687581  0.147951  0.473201  1
  Al  Al65  1  0.528801  0.514698  0.514849  1
  Al  Al66  1  0.938210  0.634483  0.473129  1
  Al  Al67  1  0.507182  0.906189  0.467956  1
  Al  Al68  1  0.098868  0.787218  0.509827  1
  Al  Al69  1  0.358132  0.362963  0.482983  1
  Al  Al70  1  0.951115  0.245070  0.524263  1
  Al  Al71  1  0.102135  0.370934  0.479772  1
  Al  Al72  1  0.693822  0.251962  0.521643  1
  Al  Al73  1  0.433264  0.675076  0.548414  1
  Al  Al74  1  0.027306  0.558173  0.590126  1
  Al  Al75  1  0.697147  0.769569  0.598709  1
  Al  Al76  1  0.105098  0.891572  0.558625  1
  Al  Al77  1  0.607227  0.400805  0.558859  1
  Al  Al78  1  0.199081  0.281136  0.601675  1
  Al  Al79  1  0.623762  0.907224  0.557178  1
  Al  Al80  1  0.214816  0.785363  0.599911  1
  Al  Al81  1  0.351387  0.894284  0.556922  1
  Al  Al82  1  0.942921  0.773676  0.599169  1
  Al  Al83  1  0.367228  0.398703  0.555413  1
  Al  Al84  1  0.961080  0.282193  0.597281  1
  Al  Al85  1  0.444922  0.286996  0.599938  1
  Al  Al86  1  0.856528  0.405786  0.557799  1
  Al  Al87  1  0.461525  0.791896  0.597331  1
  Al  Al88  1  0.870902  0.909325  0.556230  1
  Al  Al89  1  0.711975  0.278725  0.597382  1
  Al  Al90  1  0.121473  0.396083  0.556784  1
  Al  Al91  1  0.690931  0.667529  0.550735  1
  Al  Al92  1  0.282251  0.547369  0.594108  1
  Al  Al93  1  0.539872  0.124849  0.566039  1
  Al  Al94  1  0.133974  1.002688  0.609163  1
  Al  Al95  1  0.283791  0.132483  0.563803  1
  Al  Al96  1  0.881461  0.015070  0.604233  1
  Al  Al97  1  0.617512  0.443173  0.631296  1
  Al  Al98  1  0.204820  0.326560  0.675123  1
  Al  Al99  1  0.864569  0.456883  0.699369  1
  Al  Al100  1  0.287531  0.651089  0.642791  1
  Al  Al101  1  0.795509  0.166286  0.640106  1
  Al  Al102  1  0.388679  0.047851  0.684356  1
  Al  Al103  1  0.802518  0.667816  0.643531  1
  Al  Al104  1  0.409347  0.551672  0.684132  1
  Al  Al105  1  0.532422  0.653738  0.638292  1
  Al  Al106  1  0.112921  0.539419  0.683348  1
  Al  Al107  1  0.551647  0.163058  0.638056  1
  Al  Al108  1  0.136235  0.016809  0.681747  1
  Al  Al109  1  0.651349  0.057146  0.686447  1
  Al  Al110  1  0.042882  0.161185  0.641941  1
  Al  Al111  1  0.670283  0.573450  0.689216  1
  Al  Al112  1  0.054874  0.679988  0.641557  1
  Al  Al113  1  0.904676  0.070492  0.687340  1
  Al  Al114  1  0.303927  0.159984  0.641274  1
  Al  Al115  1  0.875505  0.445127  0.633629  1
  Al  Al116  1  0.486246  0.325153  0.677793  1
  Al  Al117  1  0.724408  0.902015  0.645037  1
  Al  Al118  1  0.330968  0.782410  0.690435  1
  Al  Al119  1  0.472326  0.900626  0.645150  1
  Al  Al120  1  1.004198  0.755298  0.690776  1
  Ni  Ni121  1  0.963659  0.263119  0.342471  1
  Ni  Ni122  1  0.397645  0.343762  0.305190  1
  Ni  Ni123  1  0.229520  0.261944  0.341765  1
  Ni  Ni124  1  0.628452  0.371108  0.308228  1
  Ni  Ni125  1  0.087327  0.724128  0.355498  1
  Ni  Ni126  1  0.487318  0.832771  0.321485  1
  Ni  Ni127  1  0.839597  0.728919  0.354361  1
  Ni  Ni128  1  0.244933  0.838451  0.320201  1
  Ni  Ni129  1  0.155700  0.025998  0.425852  1
  Ni  Ni130  1  0.564195  0.143529  0.384992  1
  Ni  Ni131  1  0.402718  0.026040  0.425639  1
  Ni  Ni132  1  0.815619  0.144019  0.383832  1
  Ni  Ni133  1  0.269885  0.488281  0.438622  1
  Ni  Ni134  1  0.680000  0.608721  0.398201  1
  Ni  Ni135  1  0.021792  0.488437  0.439072  1
  Ni  Ni136  1  0.430522  0.607956  0.397934  1
  Ni  Ni137  1  0.338605  0.788211  0.509240  1
  Ni  Ni138  1  0.747695  0.907622  0.467415  1
  Ni  Ni139  1  0.587510  0.788794  0.508673  1
  Ni  Ni140  1  0.996199  0.908071  0.466947  1
  Ni  Ni141  1  0.453309  0.250530  0.522185  1
  Ni  Ni142  1  0.862398  0.369941  0.480360  1
  Ni  Ni143  1  0.204804  0.250081  0.522653  1
  Ni  Ni144  1  0.613493  0.369358  0.480927  1
  Ni  Ni145  1  0.521003  0.549430  0.591398  1
  Ni  Ni146  1  0.931119  0.669870  0.550978  1
  Ni  Ni147  1  0.770482  0.550195  0.591666  1
  Ni  Ni148  1  0.179211  0.669715  0.550527  1
  Ni  Ni149  1  0.636808  0.014623  0.604608  1
  Ni  Ni150  1  0.045303  0.132153  0.563748  1
  Ni  Ni151  1  0.385384  0.014133  0.605767  1
  Ni  Ni152  1  0.798285  0.132112  0.563961  1
  Ni  Ni153  1  0.713686  0.325380  0.668115  1
  Ni  Ni154  1  0.113676  0.434024  0.634102  1
  Ni  Ni155  1  0.956070  0.319701  0.669398  1
  Ni  Ni156  1  0.361407  0.429232  0.635239  1
  Ni  Ni157  1  0.803358  0.814390  0.684410  1
  Ni  Ni158  1  0.237344  0.895033  0.647128  1
  Ni  Ni159  1  0.572551  0.787044  0.681372  1
  Ni  Ni160  1  0.971484  0.896207  0.647834  1
