# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95274177
_cell_length_b   7.95416317
_cell_length_c   46.66289580
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al28 Ni84'
_cell_volume   2892.13578936
_cell_formula_units_Z   28
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  0.989778  0.989886  0.287148  1
  Al  Al2  1  0.325448  0.325635  0.347374  1
  Al  Al3  1  0.406389  0.909446  0.316310  1
  Al  Al4  1  0.909265  0.406576  0.316310  1
  Al  Al5  1  0.826217  0.826409  0.346942  1
  Al  Al6  1  0.159820  0.160060  0.409798  1
  Al  Al7  1  0.243842  0.743219  0.378335  1
  Al  Al8  1  0.743001  0.244059  0.378333  1
  Al  Al9  1  0.659581  0.659823  0.409683  1
  Al  Al10  1  0.991889  0.992178  0.472464  1
  Al  Al11  1  0.075702  0.575979  0.441120  1
  Al  Al12  1  0.575715  0.075966  0.441120  1
  Al  Al13  1  0.491916  0.492202  0.472514  1
  Al  Al14  1  0.824171  0.824507  0.535154  1
  Al  Al15  1  0.907971  0.408436  0.503836  1
  Al  Al16  1  0.408125  0.908282  0.503837  1
  Al  Al17  1  0.324199  0.324533  0.535190  1
  Al  Al18  1  0.656651  0.657032  0.598093  1
  Al  Al19  1  0.740372  0.240667  0.566508  1
  Al  Al20  1  0.240308  0.740731  0.566508  1
  Al  Al21  1  0.156282  0.156666  0.597843  1
  Al  Al22  1  0.489655  0.490088  0.660340  1
  Al  Al23  1  0.573621  0.072541  0.629321  1
  Al  Al24  1  0.072135  0.574026  0.629319  1
  Al  Al25  1  0.990694  0.991131  0.660027  1
  Al  Al26  1  0.325233  0.325753  0.719337  1
  Al  Al27  1  0.408100  0.912113  0.691717  1
  Al  Al28  1  0.911675  0.408551  0.691719  1
  Ni  Ni29  1  0.697649  0.947949  0.300716  1
  Ni  Ni30  1  0.199163  0.448171  0.300647  1
  Ni  Ni31  1  0.116709  0.867035  0.332500  1
  Ni  Ni32  1  0.615308  0.368130  0.331848  1
  Ni  Ni33  1  0.655545  0.655737  0.315494  1
  Ni  Ni34  1  0.156926  0.157114  0.316169  1
  Ni  Ni35  1  0.238718  0.738868  0.286836  1
  Ni  Ni36  1  0.738759  0.238825  0.286835  1
  Ni  Ni37  1  0.947791  0.697807  0.300717  1
  Ni  Ni38  1  0.448008  0.199304  0.300646  1
  Ni  Ni39  1  0.367947  0.615495  0.331854  1
  Ni  Ni40  1  0.866860  0.116884  0.332499  1
  Ni  Ni41  1  0.535324  0.784911  0.362713  1
  Ni  Ni42  1  0.034859  0.285267  0.362887  1
  Ni  Ni43  1  0.951417  0.701703  0.394058  1
  Ni  Ni44  1  0.451623  0.201732  0.394122  1
  Ni  Ni45  1  0.493081  0.493294  0.378678  1
  Ni  Ni46  1  0.993065  0.993281  0.378783  1
  Ni  Ni47  1  0.075869  0.576270  0.347344  1
  Ni  Ni48  1  0.576079  0.076060  0.347343  1
  Ni  Ni49  1  0.784698  0.535532  0.362712  1
  Ni  Ni50  1  0.285059  0.035066  0.362887  1
  Ni  Ni51  1  0.201506  0.451849  0.394122  1
  Ni  Ni52  1  0.701475  0.951646  0.394058  1
  Ni  Ni53  1  0.367645  0.617997  0.425492  1
  Ni  Ni54  1  0.867492  0.118160  0.425470  1
  Ni  Ni55  1  0.783751  0.534178  0.456788  1
  Ni  Ni56  1  0.283875  0.034071  0.456810  1
  Ni  Ni57  1  0.325824  0.326086  0.441152  1
  Ni  Ni58  1  0.825751  0.826015  0.441082  1
  Ni  Ni59  1  0.909408  0.409912  0.409769  1
  Ni  Ni60  1  0.409672  0.909650  0.409770  1
  Ni  Ni61  1  0.617747  0.367895  0.425492  1
  Ni  Ni62  1  0.117906  0.867745  0.425471  1
  Ni  Ni63  1  0.033794  0.284151  0.456809  1
  Ni  Ni64  1  0.533902  0.784027  0.456788  1
  Ni  Ni65  1  0.199949  0.450288  0.488165  1
  Ni  Ni66  1  0.699975  0.950234  0.488131  1
  Ni  Ni67  1  0.616115  0.366470  0.519525  1
  Ni  Ni68  1  0.116128  0.866418  0.519477  1
  Ni  Ni69  1  0.158047  0.158358  0.503828  1
  Ni  Ni70  1  0.658047  0.658359  0.503842  1
  Ni  Ni71  1  0.741859  0.242218  0.472491  1
  Ni  Ni72  1  0.241931  0.742147  0.472491  1
  Ni  Ni73  1  0.449989  0.200248  0.488165  1
  Ni  Ni74  1  0.949935  0.700275  0.488131  1
  Ni  Ni75  1  0.866095  0.116451  0.519477  1
  Ni  Ni76  1  0.366147  0.616438  0.519525  1
  Ni  Ni77  1  0.032206  0.282663  0.550846  1
  Ni  Ni78  1  0.532403  0.782502  0.550906  1
  Ni  Ni79  1  0.448600  0.198519  0.582195  1
  Ni  Ni80  1  0.948247  0.698892  0.582218  1
  Ni  Ni81  1  0.990286  0.990646  0.566451  1
  Ni  Ni82  1  0.490402  0.490760  0.566563  1
  Ni  Ni83  1  0.574248  0.074432  0.535176  1
  Ni  Ni84  1  0.074097  0.574583  0.535176  1
  Ni  Ni85  1  0.282317  0.032553  0.550846  1
  Ni  Ni86  1  0.782155  0.532749  0.550906  1
  Ni  Ni87  1  0.698521  0.948618  0.582218  1
  Ni  Ni88  1  0.198150  0.448968  0.582195  1
  Ni  Ni89  1  0.864528  0.114852  0.613431  1
  Ni  Ni90  1  0.364549  0.615077  0.613512  1
  Ni  Ni91  1  0.281347  0.031306  0.644696  1
  Ni  Ni92  1  0.781157  0.531656  0.644978  1
  Ni  Ni93  1  0.822936  0.823340  0.629346  1
  Ni  Ni94  1  0.322819  0.323219  0.628945  1
  Ni  Ni95  1  0.406743  0.906819  0.597884  1
  Ni  Ni96  1  0.906435  0.407125  0.597883  1
  Ni  Ni97  1  0.114455  0.864927  0.613431  1
  Ni  Ni98  1  0.614683  0.364944  0.613512  1
  Ni  Ni99  1  0.531241  0.781572  0.644978  1
  Ni  Ni100  1  0.030886  0.281763  0.644696  1
  Ni  Ni101  1  0.699500  0.949828  0.676449  1
  Ni  Ni102  1  0.197780  0.451157  0.675135  1
  Ni  Ni103  1  0.116732  0.866038  0.706549  1
  Ni  Ni104  1  0.617156  0.365091  0.706343  1
  Ni  Ni105  1  0.657990  0.658437  0.691762  1
  Ni  Ni106  1  0.157694  0.158141  0.691121  1
  Ni  Ni107  1  0.241018  0.741675  0.660115  1
  Ni  Ni108  1  0.741241  0.241454  0.660116  1
  Ni  Ni109  1  0.949405  0.699924  0.676448  1
  Ni  Ni110  1  0.450727  0.198216  0.675140  1
  Ni  Ni111  1  0.364598  0.617627  0.706342  1
  Ni  Ni112  1  0.865557  0.117223  0.706550  1
