# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32384963
_cell_length_b   17.47749055
_cell_length_c   51.80206620
_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   'Al120 Ni40'
_cell_volume   4820.05439539
_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  0.134534  0.850790  0.329562  1
  Al  Al2  1  0.106549  0.396460  0.280193  1
  Al  Al3  1  0.647650  0.988009  0.313067  1
  Al  Al4  1  0.601008  0.522108  0.269881  1
  Al  Al5  1  0.658081  0.761117  0.287477  1
  Al  Al6  1  0.635381  0.223870  0.333798  1
  Al  Al7  1  0.159170  0.996160  0.310809  1
  Al  Al8  1  0.135526  0.460932  0.355558  1
  Al  Al9  1  0.915991  0.022108  0.269881  1
  Al  Al10  1  0.869349  0.488009  0.313067  1
  Al  Al11  1  0.358623  0.259055  0.283188  1
  Al  Al12  1  0.386149  0.723587  0.331802  1
  Al  Al13  1  0.881618  0.723870  0.333798  1
  Al  Al14  1  0.858918  0.261117  0.287477  1
  Al  Al15  1  0.381473  0.960932  0.355558  1
  Al  Al16  1  0.357829  0.496160  0.310809  1
  Al  Al17  1  0.130850  0.223587  0.331802  1
  Al  Al18  1  0.158376  0.759055  0.283188  1
  Al  Al19  1  0.410450  0.896460  0.280193  1
  Al  Al20  1  0.382465  0.350790  0.329562  1
  Al  Al21  1  0.894632  0.093794  0.340188  1
  Al  Al22  1  0.945868  0.621216  0.289770  1
  Al  Al23  1  0.571131  0.121216  0.289770  1
  Al  Al24  1  0.622367  0.593794  0.340188  1
  Al  Al25  1  0.119271  0.777310  0.418540  1
  Al  Al26  1  0.112070  0.315441  0.373471  1
  Al  Al27  1  0.646226  0.910720  0.403273  1
  Al  Al28  1  0.637146  0.448844  0.357604  1
  Al  Al29  1  0.644834  0.688119  0.381278  1
  Al  Al30  1  0.641883  0.149863  0.427024  1
  Al  Al31  1  0.144523  0.921764  0.400409  1
  Al  Al32  1  0.140543  0.383562  0.445893  1
  Al  Al33  1  0.879853  0.948844  0.357604  1
  Al  Al34  1  0.870773  0.410720  0.403273  1
  Al  Al35  1  0.374533  0.183197  0.376521  1
  Al  Al36  1  0.374871  0.645237  0.422395  1
  Al  Al37  1  0.875116  0.649863  0.427024  1
  Al  Al38  1  0.872165  0.188119  0.381278  1
  Al  Al39  1  0.376456  0.883562  0.445893  1
  Al  Al40  1  0.372476  0.421764  0.400409  1
  Al  Al41  1  0.142128  0.145237  0.422395  1
  Al  Al42  1  0.142466  0.683197  0.376521  1
  Al  Al43  1  0.404929  0.815441  0.373471  1
  Al  Al44  1  0.397728  0.277310  0.418540  1
  Al  Al45  1  0.899749  0.017412  0.430433  1
  Al  Al46  1  0.896036  0.555835  0.385357  1
  Al  Al47  1  0.620963  0.055835  0.385357  1
  Al  Al48  1  0.617250  0.517412  0.430433  1
  Al  Al49  1  0.119787  0.701286  0.509936  1
  Al  Al50  1  0.118791  0.239312  0.464307  1
  Al  Al51  1  0.642005  0.835007  0.494291  1
  Al  Al52  1  0.640317  0.372706  0.448794  1
  Al  Al53  1  0.641474  0.611650  0.472409  1
  Al  Al54  1  0.641603  0.073591  0.517817  1
  Al  Al55  1  0.142005  0.845667  0.491475  1
  Al  Al56  1  0.140317  0.307968  0.536973  1
  Al  Al57  1  0.876682  0.872706  0.448794  1
  Al  Al58  1  0.874994  0.335007  0.494291  1
  Al  Al59  1  0.375396  0.107083  0.467949  1
  Al  Al60  1  0.375525  0.569023  0.513358  1
  Al  Al61  1  0.875396  0.573591  0.517817  1
  Al  Al62  1  0.875525  0.111650  0.472409  1
  Al  Al63  1  0.376682  0.807968  0.536973  1
  Al  Al64  1  0.374994  0.345667  0.491475  1
  Al  Al65  1  0.141474  0.069023  0.513358  1
  Al  Al66  1  0.141603  0.607083  0.467949  1
  Al  Al67  1  0.398208  0.739312  0.464307  1
  Al  Al68  1  0.397212  0.201286  0.509936  1
  Al  Al69  1  0.898208  0.941362  0.521460  1
  Al  Al70  1  0.897212  0.479388  0.475830  1
  Al  Al71  1  0.619787  0.979388  0.475830  1
  Al  Al72  1  0.618791  0.441362  0.521460  1
  Al  Al73  1  0.120963  0.624839  0.600409  1
  Al  Al74  1  0.117250  0.163261  0.555333  1
  Al  Al75  1  0.644523  0.758909  0.585357  1
  Al  Al76  1  0.640543  0.297112  0.539873  1
  Al  Al77  1  0.642128  0.535437  0.563372  1
  Al  Al78  1  0.642466  0.997477  0.609245  1
  Al  Al79  1  0.146226  0.769954  0.582493  1
  Al  Al80  1  0.137146  0.231830  0.628162  1
  Al  Al81  1  0.876456  0.797112  0.539873  1
  Al  Al82  1  0.872476  0.258909  0.585357  1
  Al  Al83  1  0.375116  0.030811  0.558742  1
  Al  Al84  1  0.372165  0.492554  0.604489  1
  Al  Al85  1  0.874533  0.497477  0.609245  1
  Al  Al86  1  0.874871  0.035437  0.563372  1
  Al  Al87  1  0.379853  0.731830  0.628162  1
  Al  Al88  1  0.370773  0.269954  0.582493  1
  Al  Al89  1  0.144834  0.992554  0.604489  1
  Al  Al90  1  0.141883  0.530811  0.558742  1
  Al  Al91  1  0.399749  0.663261  0.555333  1
  Al  Al92  1  0.396036  0.124839  0.600409  1
  Al  Al93  1  0.904929  0.865232  0.612295  1
  Al  Al94  1  0.897728  0.403364  0.567227  1
  Al  Al95  1  0.619271  0.903364  0.567227  1
  Al  Al96  1  0.612070  0.365232  0.612295  1
  Al  Al97  1  0.071131  0.559458  0.695997  1
  Al  Al98  1  0.122367  0.086880  0.645578  1
  Al  Al99  1  0.659170  0.684514  0.674957  1
  Al  Al100  1  0.635526  0.219742  0.630208  1
  Al  Al101  1  0.630850  0.457087  0.653965  1
  Al  Al102  1  0.658376  0.921618  0.702578  1
  Al  Al103  1  0.147650  0.692665  0.672699  1
  Al  Al104  1  0.101008  0.158565  0.715885  1
  Al  Al105  1  0.881473  0.719742  0.630208  1
  Al  Al106  1  0.857829  0.184514  0.674957  1
  Al  Al107  1  0.381618  0.956804  0.651968  1
  Al  Al108  1  0.358918  0.419556  0.698289  1
  Al  Al109  1  0.858623  0.421618  0.702578  1
  Al  Al110  1  0.886149  0.957087  0.653965  1
  Al  Al111  1  0.415991  0.658565  0.715885  1
  Al  Al112  1  0.369349  0.192665  0.672699  1
  Al  Al113  1  0.158081  0.919556  0.698289  1
  Al  Al114  1  0.135381  0.456804  0.651968  1
  Al  Al115  1  0.394632  0.586880  0.645578  1
  Al  Al116  1  0.445868  0.059458  0.695997  1
  Al  Al117  1  0.910450  0.784214  0.705574  1
  Al  Al118  1  0.882465  0.329884  0.656204  1
  Al  Al119  1  0.634534  0.829884  0.656204  1
  Al  Al120  1  0.606549  0.284214  0.705574  1
  Ni  Ni121  1  0.638966  0.850202  0.329525  1
  Ni  Ni122  1  0.616910  0.387464  0.290285  1
  Ni  Ni123  1  0.900089  0.887464  0.290285  1
  Ni  Ni124  1  0.878033  0.350202  0.329525  1
  Ni  Ni125  1  0.385382  0.097397  0.336797  1
  Ni  Ni126  1  0.426076  0.630935  0.296615  1
  Ni  Ni127  1  0.090923  0.130935  0.296615  1
  Ni  Ni128  1  0.131617  0.597397  0.336797  1
  Ni  Ni129  1  0.632624  0.775431  0.420835  1
  Ni  Ni130  1  0.627243  0.312979  0.374564  1
  Ni  Ni131  1  0.889756  0.812979  0.374564  1
  Ni  Ni132  1  0.884375  0.275431  0.420835  1
  Ni  Ni133  1  0.386378  0.019173  0.428469  1
  Ni  Ni134  1  0.383570  0.557621  0.382978  1
  Ni  Ni135  1  0.133429  0.057621  0.382978  1
  Ni  Ni136  1  0.130621  0.519173  0.428469  1
  Ni  Ni137  1  0.632771  0.699595  0.511919  1
  Ni  Ni138  1  0.631665  0.237435  0.466482  1
  Ni  Ni139  1  0.885334  0.737435  0.466482  1
  Ni  Ni140  1  0.884228  0.199595  0.511919  1
  Ni  Ni141  1  0.385334  0.943238  0.519284  1
  Ni  Ni142  1  0.384228  0.481079  0.473847  1
  Ni  Ni143  1  0.132771  0.981079  0.473847  1
  Ni  Ni144  1  0.131665  0.443238  0.519284  1
  Ni  Ni145  1  0.633429  0.623053  0.602788  1
  Ni  Ni146  1  0.630621  0.161501  0.557297  1
  Ni  Ni147  1  0.886378  0.661501  0.557297  1
  Ni  Ni148  1  0.883570  0.123053  0.602788  1
  Ni  Ni149  1  0.389756  0.867695  0.611202  1
  Ni  Ni150  1  0.384375  0.405243  0.564931  1
  Ni  Ni151  1  0.132624  0.905243  0.564931  1
  Ni  Ni152  1  0.127243  0.367695  0.611202  1
  Ni  Ni153  1  0.590923  0.549739  0.689151  1
  Ni  Ni154  1  0.631617  0.083277  0.648970  1
  Ni  Ni155  1  0.885382  0.583277  0.648970  1
  Ni  Ni156  1  0.926076  0.049739  0.689151  1
  Ni  Ni157  1  0.400089  0.793210  0.695482  1
  Ni  Ni158  1  0.378033  0.330472  0.656241  1
  Ni  Ni159  1  0.138966  0.830472  0.656241  1
  Ni  Ni160  1  0.116910  0.293210  0.695482  1
