# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86741983
_cell_length_b   16.08349671
_cell_length_c   53.58364140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al96 Ni32'
_cell_volume   4194.80238079
_cell_formula_units_Z   32
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  0.596604  0.916674  0.314972  1
  Al  Al2  1  0.609718  0.344253  0.371155  1
  Al  Al3  1  0.099969  0.864835  0.286992  1
  Al  Al4  1  0.141078  0.283653  0.343939  1
  Al  Al5  1  0.132611  0.026905  0.307875  1
  Al  Al6  1  0.132107  0.446542  0.364193  1
  Al  Al7  1  0.634834  0.679598  0.375348  1
  Al  Al8  1  0.639147  0.261058  0.324316  1
  Al  Al9  1  0.367606  0.783653  0.343939  1
  Al  Al10  1  0.408716  0.364835  0.286992  1
  Al  Al11  1  0.877196  0.599707  0.298311  1
  Al  Al12  1  0.875494  0.016566  0.353608  1
  Al  Al13  1  0.376578  0.946542  0.364193  1
  Al  Al14  1  0.376073  0.526905  0.307875  1
  Al  Al15  1  0.869537  0.761058  0.324316  1
  Al  Al16  1  0.873850  0.179598  0.375348  1
  Al  Al17  1  0.633191  0.516566  0.353608  1
  Al  Al18  1  0.631488  0.099707  0.298311  1
  Al  Al19  1  0.898966  0.844253  0.371155  1
  Al  Al20  1  0.912081  0.416674  0.314972  1
  Al  Al21  1  0.357969  0.709394  0.295318  1
  Al  Al22  1  0.398337  0.119832  0.347617  1
  Al  Al23  1  0.110347  0.619832  0.347617  1
  Al  Al24  1  0.150715  0.209394  0.295318  1
  Al  Al25  1  0.608564  0.759192  0.426359  1
  Al  Al26  1  0.607493  0.177179  0.481782  1
  Al  Al27  1  0.132856  0.702679  0.397905  1
  Al  Al28  1  0.128434  0.120910  0.454020  1
  Al  Al29  1  0.128269  0.865760  0.420243  1
  Al  Al30  1  0.130241  0.283728  0.475874  1
  Al  Al31  1  0.629305  0.516116  0.487644  1
  Al  Al32  1  0.628156  0.098368  0.431517  1
  Al  Al33  1  0.380251  0.620910  0.454020  1
  Al  Al34  1  0.375828  0.202679  0.397905  1
  Al  Al35  1  0.882079  0.436207  0.410428  1
  Al  Al36  1  0.878735  0.853669  0.466050  1
  Al  Al37  1  0.378444  0.783728  0.475874  1
  Al  Al38  1  0.380415  0.365760  0.420243  1
  Al  Al39  1  0.880529  0.598368  0.431517  1
  Al  Al40  1  0.879379  0.016116  0.487644  1
  Al  Al41  1  0.629950  0.353669  0.466050  1
  Al  Al42  1  0.626605  0.936207  0.410428  1
  Al  Al43  1  0.901192  0.677179  0.481782  1
  Al  Al44  1  0.900120  0.259192  0.426359  1
  Al  Al45  1  0.404115  0.541341  0.403548  1
  Al  Al46  1  0.400426  0.960229  0.460018  1
  Al  Al47  1  0.108259  0.460229  0.460018  1
  Al  Al48  1  0.104569  0.041341  0.403548  1
  Al  Al49  1  0.608259  0.594993  0.537593  1
  Al  Al50  1  0.604569  0.013880  0.594062  1
  Al  Al51  1  0.129305  0.539105  0.509966  1
  Al  Al52  1  0.128156  0.956854  0.566094  1
  Al  Al53  1  0.129950  0.701552  0.531561  1
  Al  Al54  1  0.126605  0.119015  0.587183  1
  Al  Al55  1  0.632856  0.352542  0.599706  1
  Al  Al56  1  0.628434  0.934311  0.543591  1
  Al  Al57  1  0.380529  0.456854  0.566094  1
  Al  Al58  1  0.379379  0.039105  0.509966  1
  Al  Al59  1  0.878444  0.271493  0.521736  1
  Al  Al60  1  0.880415  0.689462  0.577367  1
  Al  Al61  1  0.382079  0.619015  0.587183  1
  Al  Al62  1  0.378735  0.201552  0.531561  1
  Al  Al63  1  0.880251  0.434311  0.543591  1
  Al  Al64  1  0.875828  0.852542  0.599706  1
  Al  Al65  1  0.628269  0.189462  0.577367  1
  Al  Al66  1  0.630241  0.771493  0.521736  1
  Al  Al67  1  0.904115  0.513880  0.594062  1
  Al  Al68  1  0.900426  0.094993  0.537593  1
  Al  Al69  1  0.401192  0.378043  0.515829  1
  Al  Al70  1  0.400120  0.796029  0.571252  1
  Al  Al71  1  0.108564  0.296029  0.571252  1
  Al  Al72  1  0.107493  0.878043  0.515829  1
  Al  Al73  1  0.610347  0.435389  0.649993  1
  Al  Al74  1  0.650715  0.845828  0.702293  1
  Al  Al75  1  0.134834  0.375623  0.622262  1
  Al  Al76  1  0.139147  0.794163  0.673295  1
  Al  Al77  1  0.133191  0.538655  0.644003  1
  Al  Al78  1  0.131488  0.955514  0.699300  1
  Al  Al79  1  0.599969  0.190386  0.710619  1
  Al  Al80  1  0.641078  0.771568  0.653672  1
  Al  Al81  1  0.369537  0.294163  0.673295  1
  Al  Al82  1  0.373850  0.875623  0.622262  1
  Al  Al83  1  0.876578  0.108680  0.633418  1
  Al  Al84  1  0.876073  0.528317  0.689736  1
  Al  Al85  1  0.377196  0.455514  0.699300  1
  Al  Al86  1  0.375494  0.038655  0.644003  1
  Al  Al87  1  0.867606  0.271568  0.653672  1
  Al  Al88  1  0.908716  0.690386  0.710619  1
  Al  Al89  1  0.632611  0.028317  0.689736  1
  Al  Al90  1  0.632107  0.608680  0.633418  1
  Al  Al91  1  0.857969  0.345828  0.702293  1
  Al  Al92  1  0.898337  0.935389  0.649993  1
  Al  Al93  1  0.398966  0.210969  0.626456  1
  Al  Al94  1  0.412081  0.638548  0.682639  1
  Al  Al95  1  0.096604  0.138548  0.682639  1
  Al  Al96  1  0.109718  0.710969  0.626456  1
  Ni  Ni97  1  0.079385  0.898451  0.330663  1
  Ni  Ni98  1  0.080334  0.317658  0.387209  1
  Ni  Ni99  1  0.428350  0.817658  0.387209  1
  Ni  Ni100  1  0.429300  0.398451  0.330663  1
  Ni  Ni101  1  0.839915  0.736657  0.281732  1
  Ni  Ni102  1  0.932090  0.145212  0.331275  1
  Ni  Ni103  1  0.576594  0.645212  0.331275  1
  Ni  Ni104  1  0.668770  0.236657  0.281732  1
  Ni  Ni105  1  0.085264  0.735393  0.442200  1
  Ni  Ni106  1  0.083397  0.153489  0.498081  1
  Ni  Ni107  1  0.425288  0.653489  0.498081  1
  Ni  Ni108  1  0.423420  0.235393  0.442200  1
  Ni  Ni109  1  0.926363  0.564868  0.387456  1
  Ni  Ni110  1  0.924740  0.984031  0.443596  1
  Ni  Ni111  1  0.583945  0.484031  0.443596  1
  Ni  Ni112  1  0.582322  0.064868  0.387456  1
  Ni  Ni113  1  0.083945  0.571190  0.554015  1
  Ni  Ni114  1  0.082322  0.990353  0.610155  1
  Ni  Ni115  1  0.426363  0.490353  0.610155  1
  Ni  Ni116  1  0.424740  0.071190  0.554015  1
  Ni  Ni117  1  0.925288  0.401733  0.499530  1
  Ni  Ni118  1  0.923420  0.819829  0.555411  1
  Ni  Ni119  1  0.585264  0.319829  0.555411  1
  Ni  Ni120  1  0.583397  0.901733  0.499530  1
  Ni  Ni121  1  0.076594  0.410010  0.666335  1
  Ni  Ni122  1  0.168770  0.818564  0.715878  1
  Ni  Ni123  1  0.339915  0.318564  0.715878  1
  Ni  Ni124  1  0.432090  0.910010  0.666335  1
  Ni  Ni125  1  0.928350  0.237564  0.610402  1
  Ni  Ni126  1  0.929300  0.656770  0.666948  1
  Ni  Ni127  1  0.579385  0.156770  0.666948  1
  Ni  Ni128  1  0.580334  0.737564  0.610402  1
