# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87174306
_cell_length_b   7.87131094
_cell_length_c   46.26028386
_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   2808.41890812
_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  0.845449  0.846410  0.339008  1
  Al  Al2  1  0.345965  0.345892  0.339006  1
  Al  Al3  1  0.432553  0.933004  0.309463  1
  Al  Al4  1  0.931338  0.431784  0.308233  1
  Al  Al5  1  0.680302  0.680158  0.401076  1
  Al  Al6  1  0.179734  0.180727  0.401077  1
  Al  Al7  1  0.264245  0.764673  0.370091  1
  Al  Al8  1  0.764400  0.264830  0.369765  1
  Al  Al9  1  0.512532  0.512830  0.463696  1
  Al  Al10  1  0.012423  0.012939  0.463696  1
  Al  Al11  1  0.096390  0.596804  0.432355  1
  Al  Al12  1  0.596429  0.096845  0.432548  1
  Al  Al13  1  0.344787  0.345143  0.526253  1
  Al  Al14  1  0.844753  0.845177  0.526253  1
  Al  Al15  1  0.928615  0.429014  0.494946  1
  Al  Al16  1  0.428618  0.929017  0.494976  1
  Al  Al17  1  0.176694  0.177475  0.588765  1
  Al  Al18  1  0.677101  0.677067  0.588764  1
  Al  Al19  1  0.760912  0.261294  0.557627  1
  Al  Al20  1  0.260897  0.761278  0.557539  1
  Al  Al21  1  0.009279  0.010099  0.651354  1
  Al  Al22  1  0.509743  0.509634  0.651354  1
  Al  Al23  1  0.593621  0.093985  0.620160  1
  Al  Al24  1  0.093377  0.593738  0.619910  1
  Al  Al25  1  0.842908  0.834885  0.711875  1
  Al  Al26  1  0.334576  0.343221  0.711876  1
  Al  Al27  1  0.427309  0.927662  0.681800  1
  Al  Al28  1  0.929997  0.430354  0.683086  1
  Ni  Ni29  1  0.722833  0.973326  0.291494  1
  Ni  Ni30  1  0.224813  0.473708  0.291550  1
  Ni  Ni31  1  0.137266  0.889670  0.323468  1
  Ni  Ni32  1  0.637972  0.389097  0.322103  1
  Ni  Ni33  1  0.973245  0.725283  0.291552  1
  Ni  Ni34  1  0.472862  0.223299  0.291494  1
  Ni  Ni35  1  0.389226  0.637707  0.323465  1
  Ni  Ni36  1  0.888657  0.138408  0.322103  1
  Ni  Ni37  1  0.676741  0.680110  0.305860  1
  Ni  Ni38  1  0.179660  0.177182  0.305858  1
  Ni  Ni39  1  0.270061  0.770565  0.277910  1
  Ni  Ni40  1  0.599024  0.099469  0.338906  1
  Ni  Ni41  1  0.556556  0.805216  0.354491  1
  Ni  Ni42  1  0.055960  0.305098  0.354074  1
  Ni  Ni43  1  0.971933  0.722457  0.385482  1
  Ni  Ni44  1  0.472316  0.222247  0.385679  1
  Ni  Ni45  1  0.804664  0.556396  0.354074  1
  Ni  Ni46  1  0.304779  0.056996  0.354492  1
  Ni  Ni47  1  0.222029  0.472359  0.385481  1
  Ni  Ni48  1  0.721817  0.972744  0.385679  1
  Ni  Ni49  1  0.514359  0.512543  0.369781  1
  Ni  Ni50  1  0.012113  0.014792  0.369783  1
  Ni  Ni51  1  0.097870  0.598311  0.338692  1
  Ni  Ni52  1  0.430295  0.930720  0.401288  1
  Ni  Ni53  1  0.388547  0.638483  0.416740  1
  Ni  Ni54  1  0.888135  0.138869  0.416783  1
  Ni  Ni55  1  0.804501  0.554774  0.448012  1
  Ni  Ni56  1  0.304280  0.054944  0.448070  1
  Ni  Ni57  1  0.638450  0.388555  0.416782  1
  Ni  Ni58  1  0.138065  0.888965  0.416740  1
  Ni  Ni59  1  0.054363  0.304913  0.448013  1
  Ni  Ni60  1  0.554533  0.804691  0.448070  1
  Ni  Ni61  1  0.346276  0.346764  0.432437  1
  Ni  Ni62  1  0.846349  0.846691  0.432437  1
  Ni  Ni63  1  0.930151  0.430573  0.401030  1
  Ni  Ni64  1  0.262492  0.762898  0.463668  1
  Ni  Ni65  1  0.220523  0.470990  0.479314  1
  Ni  Ni66  1  0.720602  0.970926  0.479377  1
  Ni  Ni67  1  0.636722  0.387049  0.510648  1
  Ni  Ni68  1  0.136652  0.887110  0.510616  1
  Ni  Ni69  1  0.470523  0.221005  0.479377  1
  Ni  Ni70  1  0.970588  0.720926  0.479314  1
  Ni  Ni71  1  0.886655  0.137117  0.510648  1
  Ni  Ni72  1  0.386716  0.637046  0.510616  1
  Ni  Ni73  1  0.178522  0.179075  0.494960  1
  Ni  Ni74  1  0.678677  0.678920  0.494960  1
  Ni  Ni75  1  0.762548  0.262956  0.463731  1
  Ni  Ni76  1  0.094754  0.595143  0.526210  1
  Ni  Ni77  1  0.052750  0.303234  0.541859  1
  Ni  Ni78  1  0.552881  0.803162  0.541881  1
  Ni  Ni79  1  0.469042  0.219335  0.573206  1
  Ni  Ni80  1  0.968973  0.719352  0.573093  1
  Ni  Ni81  1  0.302776  0.053267  0.541881  1
  Ni  Ni82  1  0.802849  0.553136  0.541859  1
  Ni  Ni83  1  0.718957  0.969420  0.573206  1
  Ni  Ni84  1  0.218976  0.469349  0.573094  1
  Ni  Ni85  1  0.010754  0.011404  0.557579  1
  Ni  Ni86  1  0.511022  0.511135  0.557579  1
  Ni  Ni87  1  0.594793  0.095183  0.526294  1
  Ni  Ni88  1  0.927025  0.427398  0.588774  1
  Ni  Ni89  1  0.884916  0.135714  0.604649  1
  Ni  Ni90  1  0.385073  0.635463  0.604487  1
  Ni  Ni91  1  0.301028  0.052239  0.635509  1
  Ni  Ni92  1  0.801771  0.551638  0.635676  1
  Ni  Ni93  1  0.135095  0.885440  0.604487  1
  Ni  Ni94  1  0.635344  0.385285  0.604649  1
  Ni  Ni95  1  0.551877  0.801391  0.635509  1
  Ni  Ni96  1  0.051276  0.302137  0.635677  1
  Ni  Ni97  1  0.843521  0.843225  0.619959  1
  Ni  Ni98  1  0.342861  0.343886  0.619960  1
  Ni  Ni99  1  0.427084  0.927458  0.588757  1
  Ni  Ni100  1  0.761364  0.261721  0.651972  1
  Ni  Ni101  1  0.718430  0.969800  0.666523  1
  Ni  Ni102  1  0.217704  0.470653  0.666594  1
  Ni  Ni103  1  0.136532  0.884690  0.699116  1
  Ni  Ni104  1  0.635559  0.385376  0.699363  1
  Ni  Ni105  1  0.970302  0.718053  0.666591  1
  Ni  Ni106  1  0.469453  0.218776  0.666523  1
  Ni  Ni107  1  0.384352  0.636875  0.699117  1
  Ni  Ni108  1  0.885036  0.135900  0.699362  1
  Ni  Ni109  1  0.674523  0.675169  0.682586  1
  Ni  Ni110  1  0.174816  0.174877  0.682586  1
  Ni  Ni111  1  0.260224  0.760578  0.651464  1
  Ni  Ni112  1  0.588623  0.088935  0.713849  1
