# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99420887
_cell_length_b   11.09542774
_cell_length_c   48.78339631
_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   2634.78138318
_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  0.690143  0.877031  0.283292  1
  Al  Al2  1  0.846533  0.189824  0.298923  1
  Al  Al3  1  0.004546  0.506105  0.316682  1
  Al  Al4  1  0.161496  0.820287  0.331463  1
  Al  Al5  1  0.320112  0.137700  0.348298  1
  Al  Al6  1  0.477398  0.452548  0.365186  1
  Al  Al7  1  0.635296  0.768586  0.381751  1
  Al  Al8  1  0.792486  0.083219  0.398403  1
  Al  Al9  1  0.950494  0.399445  0.415196  1
  Al  Al10  1  0.108231  0.715117  0.431815  1
  Al  Al11  1  0.265732  0.030347  0.448396  1
  Al  Al12  1  0.423439  0.345984  0.465102  1
  Al  Al13  1  0.581220  0.661752  0.481834  1
  Al  Al14  1  0.738821  0.977174  0.498468  1
  Al  Al15  1  0.896422  0.292595  0.515101  1
  Al  Al16  1  0.054202  0.608363  0.531833  1
  Al  Al17  1  0.211909  0.924001  0.548539  1
  Al  Al18  1  0.369411  0.239230  0.565120  1
  Al  Al19  1  0.527147  0.554903  0.581739  1
  Al  Al20  1  0.685155  0.871129  0.598532  1
  Al  Al21  1  0.842345  0.185762  0.615184  1
  Al  Al22  1  1.000243  0.501800  0.631750  1
  Al  Al23  1  0.157529  0.816648  0.648637  1
  Al  Al24  1  0.316145  0.134060  0.665472  1
  Al  Al25  1  0.473095  0.448243  0.680253  1
  Al  Al26  1  0.631108  0.764523  0.698012  1
  Al  Al27  1  0.787499  0.077316  0.713643  1
  Ni  Ni28  1  0.189622  0.876043  0.281506  1
  Ni  Ni29  1  0.347064  0.190942  0.296857  1
  Ni  Ni30  1  0.504523  0.506068  0.315652  1
  Ni  Ni31  1  0.342885  0.685103  0.297074  1
  Ni  Ni32  1  0.503576  0.007462  0.315103  1
  Ni  Ni33  1  0.190632  0.381954  0.282021  1
  Ni  Ni34  1  0.845401  0.685083  0.297077  1
  Ni  Ni35  1  0.006877  0.007440  0.315107  1
  Ni  Ni36  1  0.694381  0.381907  0.282021  1
  Ni  Ni37  1  0.661070  0.819463  0.331640  1
  Ni  Ni38  1  0.819869  0.137202  0.348783  1
  Ni  Ni39  1  0.977269  0.452303  0.365376  1
  Ni  Ni40  1  0.820009  0.637989  0.348569  1
  Ni  Ni41  1  0.977485  0.952149  0.364830  1
  Ni  Ni42  1  0.660635  0.320553  0.331783  1
  Ni  Ni43  1  0.320500  0.637992  0.348567  1
  Ni  Ni44  1  0.476870  0.952162  0.364827  1
  Ni  Ni45  1  0.162672  0.320554  0.331785  1
  Ni  Ni46  1  0.135283  0.768551  0.381757  1
  Ni  Ni47  1  0.292582  0.083414  0.398278  1
  Ni  Ni48  1  0.450521  0.399502  0.415142  1
  Ni  Ni49  1  0.293062  0.584110  0.398506  1
  Ni  Ni50  1  0.450416  0.899349  0.415056  1
  Ni  Ni51  1  0.135354  0.268162  0.381860  1
  Ni  Ni52  1  0.792823  0.584110  0.398506  1
  Ni  Ni53  1  0.950495  0.899345  0.415058  1
  Ni  Ni54  1  0.634813  0.268162  0.381858  1
  Ni  Ni55  1  0.608227  0.715113  0.431814  1
  Ni  Ni56  1  0.765730  0.030341  0.448432  1
  Ni  Ni57  1  0.923432  0.345969  0.465115  1
  Ni  Ni58  1  0.765860  0.530646  0.448495  1
  Ni  Ni59  1  0.923530  0.846111  0.465136  1
  Ni  Ni60  1  0.607927  0.214664  0.431750  1
  Ni  Ni61  1  0.265904  0.530646  0.448495  1
  Ni  Ni62  1  0.423485  0.846112  0.465135  1
  Ni  Ni63  1  0.108058  0.214663  0.431751  1
  Ni  Ni64  1  0.081204  0.661719  0.481837  1
  Ni  Ni65  1  0.238821  0.977174  0.498468  1
  Ni  Ni66  1  0.396437  0.292628  0.515098  1
  Ni  Ni67  1  0.238821  0.477174  0.498468  1
  Ni  Ni68  1  0.396537  0.792871  0.515173  1
  Ni  Ni69  1  0.081104  0.161476  0.481762  1
  Ni  Ni70  1  0.738821  0.477174  0.498468  1
  Ni  Ni71  1  0.896590  0.792871  0.515173  1
  Ni  Ni72  1  0.581052  0.161477  0.481762  1
  Ni  Ni73  1  0.554210  0.608379  0.531820  1
  Ni  Ni74  1  0.711912  0.924006  0.548503  1
  Ni  Ni75  1  0.869415  0.239234  0.565121  1
  Ni  Ni76  1  0.711781  0.423702  0.548440  1
  Ni  Ni77  1  0.869714  0.739683  0.565185  1
  Ni  Ni78  1  0.554111  0.108236  0.531799  1
  Ni  Ni79  1  0.211737  0.423702  0.548440  1
  Ni  Ni80  1  0.369583  0.739684  0.565184  1
  Ni  Ni81  1  0.054157  0.108235  0.531800  1
  Ni  Ni82  1  0.027120  0.554846  0.581793  1
  Ni  Ni83  1  0.185059  0.870933  0.598657  1
  Ni  Ni84  1  0.342358  0.185796  0.615178  1
  Ni  Ni85  1  0.184580  0.370237  0.598430  1
  Ni  Ni86  1  0.342287  0.686185  0.615075  1
  Ni  Ni87  1  0.027225  0.054999  0.581879  1
  Ni  Ni88  1  0.684818  0.370237  0.598429  1
  Ni  Ni89  1  0.842828  0.686185  0.615077  1
  Ni  Ni90  1  0.527146  0.055002  0.581878  1
  Ni  Ni91  1  0.500372  0.502045  0.631559  1
  Ni  Ni92  1  0.657772  0.817146  0.648152  1
  Ni  Ni93  1  0.816572  0.134885  0.665295  1
  Ni  Ni94  1  0.657633  0.316358  0.648367  1
  Ni  Ni95  1  0.817007  0.633795  0.665152  1
  Ni  Ni96  1  0.500156  1.002199  0.632105  1
  Ni  Ni97  1  0.157141  0.316355  0.648368  1
  Ni  Ni98  1  0.314969  0.633794  0.665150  1
  Ni  Ni99  1  1.000772  1.002186  0.632108  1
  Ni  Ni100  1  0.973118  0.448280  0.681283  1
  Ni  Ni101  1  0.130578  0.763405  0.700078  1
  Ni  Ni102  1  0.288020  0.078305  0.715429  1
  Ni  Ni103  1  0.134756  0.269245  0.699862  1
  Ni  Ni104  1  0.287009  0.572393  0.714914  1
  Ni  Ni105  1  0.974066  0.946885  0.681832  1
  Ni  Ni106  1  0.632241  0.269264  0.699858  1
  Ni  Ni107  1  0.783260  0.572440  0.714914  1
  Ni  Ni108  1  0.470764  0.946907  0.681828  1
