# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99300704
_cell_length_b   11.09397703
_cell_length_c   48.79795704
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al27 Ni81'
_cell_volume   2634.58905773
_cell_formula_units_Z   27
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  0.690279  0.877097  0.283181  1
  Al  Al2  1  0.846701  0.189954  0.298808  1
  Al  Al3  1  0.004698  0.506198  0.316577  1
  Al  Al4  1  0.161639  0.820362  0.331338  1
  Al  Al5  1  0.320261  0.137782  0.348175  1
  Al  Al6  1  0.477550  0.452633  0.365065  1
  Al  Al7  1  0.635452  0.768676  0.381624  1
  Al  Al8  1  0.792633  0.083288  0.398270  1
  Al  Al9  1  0.950646  0.399522  0.415063  1
  Al  Al10  1  0.108386  0.715197  0.431680  1
  Al  Al11  1  0.265883  0.030417  0.448255  1
  Al  Al12  1  0.423591  0.346052  0.464959  1
  Al  Al13  1  0.581374  0.661823  0.481689  1
  Al  Al14  1  0.738974  0.977240  0.498319  1
  Al  Al15  1  0.896574  0.292656  0.514949  1
  Al  Al16  1  0.054357  0.608427  0.531679  1
  Al  Al17  1  0.212065  0.924063  0.548382  1
  Al  Al18  1  0.369562  0.239282  0.564957  1
  Al  Al19  1  0.527302  0.554957  0.581575  1
  Al  Al20  1  0.685315  0.871191  0.598368  1
  Al  Al21  1  0.842495  0.185803  0.615014  1
  Al  Al22  1  1.000398  0.501846  0.631573  1
  Al  Al23  1  0.157687  0.816697  0.648463  1
  Al  Al24  1  0.316309  0.134117  0.665299  1
  Al  Al25  1  0.473250  0.448281  0.680060  1
  Al  Al26  1  0.631247  0.764525  0.697830  1
  Al  Al27  1  0.787669  0.077382  0.713457  1
  Ni  Ni28  1  0.189767  0.876126  0.281394  1
  Ni  Ni29  1  0.347228  0.191063  0.296740  1
  Ni  Ni30  1  0.504675  0.506162  0.315549  1
  Ni  Ni31  1  0.343008  0.685149  0.296957  1
  Ni  Ni32  1  0.503732  0.007560  0.314985  1
  Ni  Ni33  1  0.190828  0.382134  0.281914  1
  Ni  Ni34  1  0.845530  0.685130  0.296961  1
  Ni  Ni35  1  0.007028  0.007539  0.314989  1
  Ni  Ni36  1  0.694575  0.382088  0.281914  1
  Ni  Ni37  1  0.661215  0.819542  0.331515  1
  Ni  Ni38  1  0.820019  0.137285  0.348659  1
  Ni  Ni39  1  0.977421  0.452388  0.365255  1
  Ni  Ni40  1  0.820166  0.638088  0.348451  1
  Ni  Ni41  1  0.977634  0.952223  0.364701  1
  Ni  Ni42  1  0.660783  0.320639  0.331666  1
  Ni  Ni43  1  0.320657  0.638091  0.348450  1
  Ni  Ni44  1  0.477014  0.952236  0.364698  1
  Ni  Ni45  1  0.162823  0.320640  0.331667  1
  Ni  Ni46  1  0.135438  0.768640  0.381631  1
  Ni  Ni47  1  0.292730  0.083486  0.398145  1
  Ni  Ni48  1  0.450673  0.399579  0.415009  1
  Ni  Ni49  1  0.293218  0.584197  0.398377  1
  Ni  Ni50  1  0.450569  0.899427  0.414922  1
  Ni  Ni51  1  0.135503  0.268238  0.381732  1
  Ni  Ni52  1  0.792978  0.584197  0.398377  1
  Ni  Ni53  1  0.950648  0.899423  0.414923  1
  Ni  Ni54  1  0.634962  0.268239  0.381731  1
  Ni  Ni55  1  0.608381  0.715192  0.431679  1
  Ni  Ni56  1  0.765881  0.030412  0.448292  1
  Ni  Ni57  1  0.923583  0.346037  0.464971  1
  Ni  Ni58  1  0.766013  0.530721  0.448357  1
  Ni  Ni59  1  0.923684  0.846184  0.464994  1
  Ni  Ni60  1  0.608077  0.214733  0.431612  1
  Ni  Ni61  1  0.266058  0.530721  0.448357  1
  Ni  Ni62  1  0.423639  0.846185  0.464993  1
  Ni  Ni63  1  0.108207  0.214732  0.431613  1
  Ni  Ni64  1  0.081358  0.661790  0.481692  1
  Ni  Ni65  1  0.238974  0.977240  0.498319  1
  Ni  Ni66  1  0.396590  0.292689  0.514946  1
  Ni  Ni67  1  0.238974  0.477240  0.498319  1
  Ni  Ni68  1  0.396692  0.792938  0.515022  1
  Ni  Ni69  1  0.081256  0.161541  0.481616  1
  Ni  Ni70  1  0.738974  0.477240  0.498319  1
  Ni  Ni71  1  0.896745  0.792937  0.515022  1
  Ni  Ni72  1  0.581203  0.161542  0.481615  1
  Ni  Ni73  1  0.554365  0.608442  0.531666  1
  Ni  Ni74  1  0.712067  0.924067  0.548346  1
  Ni  Ni75  1  0.869567  0.239287  0.564959  1
  Ni  Ni76  1  0.711935  0.423758  0.548281  1
  Ni  Ni77  1  0.869871  0.739746  0.565025  1
  Ni  Ni78  1  0.554264  0.108295  0.531644  1
  Ni  Ni79  1  0.211890  0.423759  0.548281  1
  Ni  Ni80  1  0.369741  0.739747  0.565025  1
  Ni  Ni81  1  0.054309  0.108294  0.531644  1
  Ni  Ni82  1  0.027275  0.554901  0.581629  1
  Ni  Ni83  1  0.185218  0.870994  0.598492  1
  Ni  Ni84  1  0.342510  0.185839  0.615007  1
  Ni  Ni85  1  0.184730  0.370282  0.598261  1
  Ni  Ni86  1  0.342445  0.686241  0.614905  1
  Ni  Ni87  1  0.027379  0.055053  0.581715  1
  Ni  Ni88  1  0.684970  0.370282  0.598260  1
  Ni  Ni89  1  0.842986  0.686241  0.614907  1
  Ni  Ni90  1  0.527300  0.055056  0.581714  1
  Ni  Ni91  1  0.500527  0.502091  0.631382  1
  Ni  Ni92  1  0.657929  0.817195  0.647978  1
  Ni  Ni93  1  0.816732  0.134937  0.665122  1
  Ni  Ni94  1  0.657781  0.316391  0.648187  1
  Ni  Ni95  1  0.817165  0.633840  0.664972  1
  Ni  Ni96  1  0.500314  1.002256  0.631936  1
  Ni  Ni97  1  0.157291  0.316388  0.648188  1
  Ni  Ni98  1  0.315125  0.633839  0.664970  1
  Ni  Ni99  1  1.000933  1.002243  0.631939  1
  Ni  Ni100  1  0.973272  0.448318  0.681088  1
  Ni  Ni101  1  0.130720  0.763416  0.699898  1
  Ni  Ni102  1  0.288181  0.078353  0.715244  1
  Ni  Ni103  1  0.134940  0.269330  0.699680  1
  Ni  Ni104  1  0.287119  0.572345  0.714724  1
  Ni  Ni105  1  0.974216  0.946919  0.681653  1
  Ni  Ni106  1  0.632418  0.269349  0.699677  1
  Ni  Ni107  1  0.783373  0.572391  0.714724  1
  Ni  Ni108  1  0.470920  0.946941  0.681649  1
