# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76325214
_cell_length_b   16.44360973
_cell_length_c   54.22924479
_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   4247.50881008
_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  0.603847  0.939958  0.313295  1
  Al  Al2  1  0.605221  0.365439  0.368783  1
  Al  Al3  1  0.127283  0.882316  0.286737  1
  Al  Al4  1  0.133085  0.304579  0.339776  1
  Al  Al5  1  0.128819  0.049935  0.306444  1
  Al  Al6  1  0.122017  0.473730  0.361578  1
  Al  Al7  1  0.626188  0.707264  0.373291  1
  Al  Al8  1  0.633756  0.284399  0.321124  1
  Al  Al9  1  0.381450  0.804579  0.339776  1
  Al  Al10  1  0.387253  0.382316  0.286737  1
  Al  Al11  1  0.894348  0.616912  0.296953  1
  Al  Al12  1  0.888800  0.038656  0.351649  1
  Al  Al13  1  0.392518  0.973730  0.361578  1
  Al  Al14  1  0.385717  0.549935  0.306444  1
  Al  Al15  1  0.880779  0.784399  0.321124  1
  Al  Al16  1  0.888347  0.207264  0.373291  1
  Al  Al17  1  0.625735  0.538656  0.351649  1
  Al  Al18  1  0.620187  0.116912  0.296953  1
  Al  Al19  1  0.909314  0.865439  0.368783  1
  Al  Al20  1  0.910688  0.439958  0.313295  1
  Al  Al21  1  0.374723  0.727453  0.292714  1
  Al  Al22  1  0.410356  0.147041  0.344146  1
  Al  Al23  1  0.104179  0.647041  0.344146  1
  Al  Al24  1  0.139812  0.227453  0.292714  1
  Al  Al25  1  0.602801  0.785614  0.424554  1
  Al  Al26  1  0.602433  0.205708  0.480523  1
  Al  Al27  1  0.125102  0.727380  0.395588  1
  Al  Al28  1  0.122052  0.148066  0.451509  1
  Al  Al29  1  0.122391  0.894038  0.417683  1
  Al  Al30  1  0.122708  0.314377  0.473592  1
  Al  Al31  1  0.622810  0.547337  0.485475  1
  Al  Al32  1  0.622027  0.126940  0.429511  1
  Al  Al33  1  0.392484  0.648066  0.451509  1
  Al  Al34  1  0.389434  0.227380  0.395588  1
  Al  Al35  1  0.892638  0.460828  0.407398  1
  Al  Al36  1  0.891829  0.880986  0.463489  1
  Al  Al37  1  0.391827  0.814377  0.473592  1
  Al  Al38  1  0.392144  0.394038  0.417683  1
  Al  Al39  1  0.892508  0.626940  0.429511  1
  Al  Al40  1  0.891725  0.047337  0.485475  1
  Al  Al41  1  0.622706  0.380986  0.463489  1
  Al  Al42  1  0.621897  0.960828  0.407398  1
  Al  Al43  1  0.912103  0.705708  0.480523  1
  Al  Al44  1  0.911734  0.285614  0.424554  1
  Al  Al45  1  0.413314  0.569151  0.400458  1
  Al  Al46  1  0.411512  0.989622  0.456524  1
  Al  Al47  1  0.103023  0.489622  0.456524  1
  Al  Al48  1  0.101221  0.069151  0.400458  1
  Al  Al49  1  0.603023  0.626069  0.536487  1
  Al  Al50  1  0.601221  0.046541  0.592553  1
  Al  Al51  1  0.122810  0.568355  0.507536  1
  Al  Al52  1  0.122027  0.988752  0.563500  1
  Al  Al53  1  0.122706  0.734705  0.529523  1
  Al  Al54  1  0.121897  0.154864  0.585613  1
  Al  Al55  1  0.625102  0.388312  0.597423  1
  Al  Al56  1  0.622052  0.967625  0.541502  1
  Al  Al57  1  0.392508  0.488752  0.563500  1
  Al  Al58  1  0.391725  0.068355  0.507536  1
  Al  Al59  1  0.891827  0.301315  0.519420  1
  Al  Al60  1  0.892144  0.721654  0.575329  1
  Al  Al61  1  0.392638  0.654864  0.585613  1
  Al  Al62  1  0.391829  0.234705  0.529523  1
  Al  Al63  1  0.892484  0.467625  0.541502  1
  Al  Al64  1  0.889434  0.888312  0.597423  1
  Al  Al65  1  0.622391  0.221654  0.575329  1
  Al  Al66  1  0.622708  0.801315  0.519420  1
  Al  Al67  1  0.913314  0.546541  0.592553  1
  Al  Al68  1  0.911512  0.126069  0.536487  1
  Al  Al69  1  0.412103  0.409983  0.512488  1
  Al  Al70  1  0.411734  0.830078  0.568458  1
  Al  Al71  1  0.102801  0.330078  0.568458  1
  Al  Al72  1  0.102433  0.909983  0.512488  1
  Al  Al73  1  0.604179  0.468651  0.648865  1
  Al  Al74  1  0.639812  0.888238  0.700297  1
  Al  Al75  1  0.126188  0.408428  0.619720  1
  Al  Al76  1  0.133756  0.831293  0.671887  1
  Al  Al77  1  0.125735  0.577036  0.641363  1
  Al  Al78  1  0.120187  0.998779  0.696058  1
  Al  Al79  1  0.627283  0.233376  0.706274  1
  Al  Al80  1  0.633085  0.811113  0.653235  1
  Al  Al81  1  0.380779  0.331293  0.671887  1
  Al  Al82  1  0.388347  0.908428  0.619720  1
  Al  Al83  1  0.892518  0.141962  0.631434  1
  Al  Al84  1  0.885717  0.565757  0.686568  1
  Al  Al85  1  0.394348  0.498779  0.696058  1
  Al  Al86  1  0.388800  0.077036  0.641363  1
  Al  Al87  1  0.881450  0.311113  0.653235  1
  Al  Al88  1  0.887253  0.733376  0.706274  1
  Al  Al89  1  0.628819  0.065757  0.686568  1
  Al  Al90  1  0.622017  0.641962  0.631434  1
  Al  Al91  1  0.874723  0.388238  0.700297  1
  Al  Al92  1  0.910356  0.968651  0.648865  1
  Al  Al93  1  0.409314  0.250253  0.624229  1
  Al  Al94  1  0.410688  0.675734  0.679716  1
  Al  Al95  1  0.103847  0.175734  0.679716  1
  Al  Al96  1  0.105221  0.750253  0.624229  1
  Ni  Ni97  1  0.089299  0.921254  0.329409  1
  Ni  Ni98  1  0.090685  0.342526  0.384336  1
  Ni  Ni99  1  0.423850  0.842526  0.384336  1
  Ni  Ni100  1  0.425236  0.421254  0.329409  1
  Ni  Ni101  1  0.870285  0.753237  0.277262  1
  Ni  Ni102  1  0.926042  0.167798  0.329474  1
  Ni  Ni103  1  0.588493  0.667798  0.329474  1
  Ni  Ni104  1  0.644250  0.253237  0.277262  1
  Ni  Ni105  1  0.088631  0.762740  0.440371  1
  Ni  Ni106  1  0.088435  0.183076  0.496319  1
  Ni  Ni107  1  0.426101  0.683076  0.496319  1
  Ni  Ni108  1  0.425904  0.262740  0.440371  1
  Ni  Ni109  1  0.927355  0.592226  0.384647  1
  Ni  Ni110  1  0.925325  0.012242  0.440685  1
  Ni  Ni111  1  0.589210  0.512242  0.440685  1
  Ni  Ni112  1  0.587180  0.092226  0.384647  1
  Ni  Ni113  1  0.089210  0.603450  0.552327  1
  Ni  Ni114  1  0.087180  0.023466  0.608364  1
  Ni  Ni115  1  0.427355  0.523466  0.608364  1
  Ni  Ni116  1  0.425325  0.103450  0.552327  1
  Ni  Ni117  1  0.926101  0.432616  0.496692  1
  Ni  Ni118  1  0.925904  0.852952  0.552640  1
  Ni  Ni119  1  0.588631  0.352952  0.552640  1
  Ni  Ni120  1  0.588435  0.932616  0.496692  1
  Ni  Ni121  1  0.088493  0.447894  0.663538  1
  Ni  Ni122  1  0.144250  0.862455  0.715750  1
  Ni  Ni123  1  0.370285  0.362455  0.715750  1
  Ni  Ni124  1  0.426042  0.947894  0.663538  1
  Ni  Ni125  1  0.923850  0.273166  0.608676  1
  Ni  Ni126  1  0.925236  0.694438  0.663602  1
  Ni  Ni127  1  0.589299  0.194438  0.663602  1
  Ni  Ni128  1  0.590685  0.773166  0.608676  1
