# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02485889
_cell_length_b   11.26566696
_cell_length_c   49.16517278
_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   2712.68990529
_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  0.342725  0.181365  0.299880  1
  Al  Al2  1  0.503018  0.501844  0.316641  1
  Al  Al3  1  0.187872  0.871656  0.284903  1
  Al  Al4  1  0.818846  0.133325  0.349427  1
  Al  Al5  1  0.976506  0.448545  0.365922  1
  Al  Al6  1  0.660590  0.816916  0.333112  1
  Al  Al7  1  0.292578  0.080522  0.399850  1
  Al  Al8  1  0.450377  0.396035  0.416405  1
  Al  Al9  1  0.134470  0.764385  0.383073  1
  Al  Al10  1  0.766325  0.027762  0.449859  1
  Al  Al11  1  0.924216  0.343460  0.466538  1
  Al  Al12  1  0.608227  0.711647  0.433114  1
  Al  Al13  1  0.240033  0.974926  0.499944  1
  Al  Al14  1  0.398014  0.290805  0.516680  1
  Al  Al15  1  0.082053  0.659047  0.483208  1
  Al  Al16  1  0.713742  0.922091  0.550029  1
  Al  Al17  1  0.871840  0.238205  0.566774  1
  Al  Al18  1  0.555851  0.606392  0.533350  1
  Al  Al19  1  0.187489  0.869331  0.600037  1
  Al  Al20  1  0.345597  0.185467  0.616815  1
  Al  Al21  1  0.029690  0.553817  0.583483  1
  Al  Al22  1  0.661221  0.816528  0.650461  1
  Al  Al23  1  0.819477  0.132936  0.666776  1
  Al  Al24  1  0.503561  0.501307  0.633966  1
  Al  Al25  1  0.137342  0.768487  0.700007  1
  Al  Al26  1  0.292195  0.078196  0.714985  1
  Al  Al27  1  0.977049  0.448008  0.683247  1
  Ni  Ni28  1  0.843271  0.182452  0.299240  1
  Ni  Ni29  1  1.003002  0.501804  0.316333  1
  Ni  Ni30  1  0.688226  0.872354  0.284021  1
  Ni  Ni31  1  0.502323  1.000992  0.316885  1
  Ni  Ni32  1  0.185604  0.368693  0.284221  1
  Ni  Ni33  1  0.344009  0.684818  0.299524  1
  Ni  Ni34  1  1.002855  1.000986  0.316886  1
  Ni  Ni35  1  0.687261  0.368696  0.284222  1
  Ni  Ni36  1  0.844871  0.684817  0.299527  1
  Ni  Ni37  1  0.318838  0.133311  0.349934  1
  Ni  Ni38  1  0.476525  0.448583  0.366194  1
  Ni  Ni39  1  0.160169  0.816064  0.333512  1
  Ni  Ni40  1  0.976446  0.948930  0.366496  1
  Ni  Ni41  1  0.659402  0.316088  0.333046  1
  Ni  Ni42  1  0.818333  0.633174  0.349743  1
  Ni  Ni43  1  0.476948  0.948932  0.366496  1
  Ni  Ni44  1  0.160980  0.316089  0.333046  1
  Ni  Ni45  1  0.319210  0.633175  0.349742  1
  Ni  Ni46  1  0.792621  0.080606  0.399723  1
  Ni  Ni47  1  0.950433  0.396147  0.416332  1
  Ni  Ni48  1  0.634548  0.764544  0.383112  1
  Ni  Ni49  1  0.450431  0.896135  0.416492  1
  Ni  Ni50  1  0.134326  0.264694  0.383047  1
  Ni  Ni51  1  0.292143  0.579918  0.399658  1
  Ni  Ni52  1  0.950425  0.896134  0.416493  1
  Ni  Ni53  1  0.634916  0.264694  0.383047  1
  Ni  Ni54  1  0.792415  0.579917  0.399658  1
  Ni  Ni55  1  0.266300  0.027713  0.449890  1
  Ni  Ni56  1  0.424201  0.343431  0.466554  1
  Ni  Ni57  1  0.108243  0.711679  0.433109  1
  Ni  Ni58  1  0.924124  0.843327  0.466533  1
  Ni  Ni59  1  0.608497  0.212014  0.433164  1
  Ni  Ni60  1  0.766217  0.527499  0.449803  1
  Ni  Ni61  1  0.424177  0.843327  0.466533  1
  Ni  Ni62  1  0.108319  0.212013  0.433165  1
  Ni  Ni63  1  0.266171  0.527499  0.449803  1
  Ni  Ni64  1  0.740033  0.974926  0.499944  1
  Ni  Ni65  1  0.898014  0.290804  0.516668  1
  Ni  Ni66  1  0.582053  0.659048  0.483219  1
  Ni  Ni67  1  0.397920  0.790589  0.516617  1
  Ni  Ni68  1  0.082146  0.159263  0.483271  1
  Ni  Ni69  1  0.240033  0.474926  0.499944  1
  Ni  Ni70  1  0.897895  0.790589  0.516617  1
  Ni  Ni71  1  0.582172  0.159263  0.483271  1
  Ni  Ni72  1  0.740033  0.474926  0.499944  1
  Ni  Ni73  1  0.213766  0.922139  0.549998  1
  Ni  Ni74  1  0.371824  0.238174  0.566779  1
  Ni  Ni75  1  0.055866  0.606421  0.533333  1
  Ni  Ni76  1  0.871569  0.737839  0.566723  1
  Ni  Ni77  1  0.555943  0.106526  0.533354  1
  Ni  Ni78  1  0.713849  0.422353  0.550084  1
  Ni  Ni79  1  0.371748  0.737839  0.566723  1
  Ni  Ni80  1  0.055890  0.106525  0.533354  1
  Ni  Ni81  1  0.213896  0.422353  0.550084  1
  Ni  Ni82  1  0.687446  0.869246  0.600165  1
  Ni  Ni83  1  0.845519  0.185309  0.616776  1
  Ni  Ni84  1  0.529634  0.553706  0.583556  1
  Ni  Ni85  1  0.345741  0.685159  0.616840  1
  Ni  Ni86  1  0.029636  0.053717  0.583395  1
  Ni  Ni87  1  0.187924  0.369935  0.600230  1
  Ni  Ni88  1  0.845151  0.685158  0.616840  1
  Ni  Ni89  1  0.529642  0.053718  0.583395  1
  Ni  Ni90  1  0.687652  0.369935  0.600229  1
  Ni  Ni91  1  0.161229  0.816542  0.649953  1
  Ni  Ni92  1  0.319898  0.133788  0.666375  1
  Ni  Ni93  1  0.003542  0.501269  0.633694  1
  Ni  Ni94  1  0.820664  0.633764  0.666842  1
  Ni  Ni95  1  0.503621  1.000922  0.633391  1
  Ni  Ni96  1  0.661734  0.316678  0.650145  1
  Ni  Ni97  1  0.319087  0.633763  0.666842  1
  Ni  Ni98  1  1.003118  1.000920  0.633392  1
  Ni  Ni99  1  0.160856  0.316677  0.650145  1
  Ni  Ni100  1  0.636796  0.767400  0.700648  1
  Ni  Ni101  1  0.791841  0.077498  0.715866  1
  Ni  Ni102  1  0.477065  0.448048  0.683555  1
  Ni  Ni103  1  0.294463  0.581160  0.715667  1
  Ni  Ni104  1  0.977744  0.948860  0.683002  1
  Ni  Ni105  1  0.136058  0.265034  0.700363  1
  Ni  Ni106  1  0.792805  0.581156  0.715666  1
  Ni  Ni107  1  0.477212  0.948866  0.683002  1
  Ni  Ni108  1  0.635196  0.265035  0.700361  1
