# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99191095
_cell_length_b   11.09780615
_cell_length_c   48.79379206
_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   2634.69493857
_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  0.846491  0.022856  0.298862  1
  Al  Al2  1  0.004541  0.339183  0.316606  1
  Al  Al3  1  0.690134  0.710127  0.283233  1
  Al  Al4  1  0.320144  0.970812  0.348225  1
  Al  Al5  1  0.477445  0.285668  0.365103  1
  Al  Al6  1  0.161518  0.653397  0.331396  1
  Al  Al7  1  0.792574  0.916377  0.398320  1
  Al  Al8  1  0.950592  0.232606  0.415106  1
  Al  Al9  1  0.635358  0.601714  0.381669  1
  Al  Al10  1  0.265864  0.863537  0.448301  1
  Al  Al11  1  0.423587  0.179187  0.465004  1
  Al  Al12  1  0.108341  0.548285  0.431722  1
  Al  Al13  1  0.738998  0.810399  0.498361  1
  Al  Al14  1  0.896617  0.125837  0.514993  1
  Al  Al15  1  0.581380  0.494961  0.481730  1
  Al  Al16  1  0.212133  0.757261  0.548422  1
  Al  Al17  1  0.369656  0.072513  0.565001  1
  Al  Al18  1  0.054410  0.441612  0.531719  1
  Al  Al19  1  0.685423  0.704421  0.598402  1
  Al  Al20  1  0.842639  0.019084  0.615054  1
  Al  Al21  1  0.527405  0.388193  0.581616  1
  Al  Al22  1  0.157853  0.649986  0.648498  1
  Al  Al23  1  0.316479  0.967401  0.665327  1
  Al  Al24  1  1.000552  0.335131  0.631620  1
  Al  Al25  1  0.631506  0.597943  0.697861  1
  Al  Al26  1  0.787863  0.910672  0.713489  1
  Al  Al27  1  0.473456  0.281615  0.680117  1
  Ni  Ni28  1  0.347028  0.023980  0.296794  1
  Ni  Ni29  1  0.504519  0.339148  0.315575  1
  Ni  Ni30  1  0.189613  0.709133  0.281445  1
  Ni  Ni31  1  0.694330  0.214900  0.281956  1
  Ni  Ni32  1  0.845402  0.518199  0.297015  1
  Ni  Ni33  1  0.006869  0.840516  0.315045  1
  Ni  Ni34  1  0.190575  0.214942  0.281955  1
  Ni  Ni35  1  0.342889  0.518217  0.297012  1
  Ni  Ni36  1  0.503566  0.840535  0.315041  1
  Ni  Ni37  1  0.819900  0.970314  0.348711  1
  Ni  Ni38  1  0.977317  0.285424  0.365294  1
  Ni  Ni39  1  0.661090  0.652566  0.331573  1
  Ni  Ni40  1  0.162683  0.153648  0.331711  1
  Ni  Ni41  1  0.320524  0.471091  0.348489  1
  Ni  Ni42  1  0.476925  0.785292  0.364753  1
  Ni  Ni43  1  0.660648  0.153647  0.331709  1
  Ni  Ni44  1  0.820034  0.471089  0.348490  1
  Ni  Ni45  1  0.977539  0.785280  0.364756  1
  Ni  Ni46  1  0.292669  0.916571  0.398195  1
  Ni  Ni47  1  0.450620  0.232664  0.415052  1
  Ni  Ni48  1  0.135345  0.601681  0.381675  1
  Ni  Ni49  1  0.634880  0.101304  0.381776  1
  Ni  Ni50  1  0.792901  0.417251  0.398418  1
  Ni  Ni51  1  0.950593  0.732506  0.414969  1
  Ni  Ni52  1  0.135424  0.101303  0.381778  1
  Ni  Ni53  1  0.293140  0.417251  0.398418  1
  Ni  Ni54  1  0.450513  0.732509  0.414968  1
  Ni  Ni55  1  0.765861  0.863531  0.448338  1
  Ni  Ni56  1  0.923579  0.179171  0.465016  1
  Ni  Ni57  1  0.608338  0.548283  0.431720  1
  Ni  Ni58  1  0.108176  0.047844  0.431660  1
  Ni  Ni59  1  0.266032  0.363830  0.448399  1
  Ni  Ni60  1  0.423629  0.679310  0.465036  1
  Ni  Ni61  1  0.608045  0.047845  0.431659  1
  Ni  Ni62  1  0.765988  0.363830  0.448399  1
  Ni  Ni63  1  0.923675  0.679309  0.465036  1
  Ni  Ni64  1  0.238998  0.810399  0.498361  1
  Ni  Ni65  1  0.396633  0.125869  0.514990  1
  Ni  Ni66  1  0.081364  0.494929  0.481733  1
  Ni  Ni67  1  0.581216  0.994693  0.481660  1
  Ni  Ni68  1  0.738998  0.310399  0.498361  1
  Ni  Ni69  1  0.896781  0.626106  0.515063  1
  Ni  Ni70  1  0.081268  0.994692  0.481661  1
  Ni  Ni71  1  0.238998  0.310399  0.498361  1
  Ni  Ni72  1  0.396729  0.626106  0.515062  1
  Ni  Ni73  1  0.712136  0.757268  0.548385  1
  Ni  Ni74  1  0.869659  0.072516  0.565002  1
  Ni  Ni75  1  0.554418  0.441628  0.531707  1
  Ni  Ni76  1  0.054368  0.941488  0.531687  1
  Ni  Ni77  1  0.211965  0.256969  0.548324  1
  Ni  Ni78  1  0.369821  0.572954  0.565063  1
  Ni  Ni79  1  0.554322  0.941489  0.531687  1
  Ni  Ni80  1  0.712009  0.256969  0.548324  1
  Ni  Ni81  1  0.869952  0.572953  0.565064  1
  Ni  Ni82  1  0.185328  0.704228  0.598528  1
  Ni  Ni83  1  0.342652  0.019117  0.615048  1
  Ni  Ni84  1  0.027377  0.388135  0.581671  1
  Ni  Ni85  1  0.527404  0.888292  0.581753  1
  Ni  Ni86  1  0.685096  0.203547  0.598305  1
  Ni  Ni87  1  0.843117  0.519495  0.614947  1
  Ni  Ni88  1  0.027484  0.888289  0.581755  1
  Ni  Ni89  1  0.184857  0.203547  0.598305  1
  Ni  Ni90  1  0.342573  0.519495  0.614945  1
  Ni  Ni91  1  0.658097  0.650484  0.648012  1
  Ni  Ni92  1  0.816907  0.968232  0.665150  1
  Ni  Ni93  1  0.500680  0.335375  0.631428  1
  Ni  Ni94  1  1.001072  0.835507  0.631970  1
  Ni  Ni95  1  0.157473  0.149707  0.648234  1
  Ni  Ni96  1  0.315314  0.467150  0.665012  1
  Ni  Ni97  1  0.500458  0.835518  0.631967  1
  Ni  Ni98  1  0.657962  0.149710  0.648233  1
  Ni  Ni99  1  0.817349  0.467151  0.665014  1
  Ni  Ni100  1  0.130969  0.596818  0.699929  1
  Ni  Ni101  1  0.288384  0.911666  0.715277  1
  Ni  Ni102  1  0.973478  0.281650  0.681148  1
  Ni  Ni103  1  0.471128  0.780283  0.681678  1
  Ni  Ni104  1  0.632595  0.102599  0.699708  1
  Ni  Ni105  1  0.783667  0.405899  0.714767  1
  Ni  Ni106  1  0.974430  0.780263  0.681682  1
  Ni  Ni107  1  0.135108  0.102582  0.699711  1
  Ni  Ni108  1  0.287422  0.405857  0.714767  1
