# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44137209
_cell_length_b   15.49120272
_cell_length_c   51.35866907
_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   'Al120 Ni40'
_cell_volume   5124.80429512
_cell_formula_units_Z   40
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  0.027032  0.780124  0.321585  1
  Al  Al2  1  0.033590  0.331707  0.277120  1
  Al  Al3  1  0.198763  0.914192  0.280367  1
  Al  Al4  1  0.176983  0.370594  0.327141  1
  Al  Al5  1  0.182733  0.642755  0.352964  1
  Al  Al6  1  0.189880  0.190986  0.304647  1
  Al  Al7  1  0.321769  0.918085  0.331298  1
  Al  Al8  1  0.311884  0.474321  0.285941  1
  Al  Al9  1  0.682484  0.846097  0.348669  1
  Al  Al10  1  0.689730  0.401802  0.301749  1
  Al  Al11  1  0.830729  0.121222  0.325298  1
  Al  Al12  1  0.865248  0.663680  0.281937  1
  Al  Al13  1  0.676934  0.669665  0.330954  1
  Al  Al14  1  0.666030  0.219975  0.284596  1
  Al  Al15  1  0.825572  0.943315  0.306922  1
  Al  Al16  1  0.812904  0.393956  0.352987  1
  Al  Al17  1  0.320951  0.097107  0.347626  1
  Al  Al18  1  0.308823  0.651480  0.300768  1
  Al  Al19  1  0.547121  0.804960  0.295470  1
  Al  Al20  1  0.529222  0.260005  0.337085  1
  Al  Al21  1  0.976278  0.983552  0.359789  1
  Al  Al22  1  0.967475  0.532121  0.318143  1
  Al  Al23  1  0.481889  0.050267  0.298304  1
  Al  Al24  1  0.470095  0.504918  0.341118  1
  Al  Al25  1  0.029128  0.680777  0.409575  1
  Al  Al26  1  0.029572  0.232345  0.362993  1
  Al  Al27  1  0.182197  0.819732  0.371742  1
  Al  Al28  1  0.181190  0.270268  0.416187  1
  Al  Al29  1  0.182288  0.545283  0.444152  1
  Al  Al30  1  0.180125  0.095042  0.397989  1
  Al  Al31  1  0.325213  0.820916  0.421700  1
  Al  Al32  1  0.328852  0.369688  0.376261  1
  Al  Al33  1  0.683922  0.745558  0.440022  1
  Al  Al34  1  0.685238  0.294520  0.394054  1
  Al  Al35  1  0.821735  0.020474  0.416757  1
  Al  Al36  1  0.818625  0.570604  0.371483  1
  Al  Al37  1  0.684321  0.569508  0.422294  1
  Al  Al38  1  0.684142  0.119673  0.375578  1
  Al  Al39  1  0.821297  0.844767  0.399212  1
  Al  Al40  1  0.823102  0.294215  0.444745  1
  Al  Al41  1  0.323873  0.996640  0.438940  1
  Al  Al42  1  0.327293  0.546215  0.393871  1
  Al  Al43  1  0.528040  0.710039  0.383256  1
  Al  Al44  1  0.527195  0.159430  0.428345  1
  Al  Al45  1  0.978361  0.885225  0.451579  1
  Al  Al46  1  0.979292  0.434312  0.405780  1
  Al  Al47  1  0.476468  0.956772  0.386235  1
  Al  Al48  1  0.478537  0.405578  0.432497  1
  Al  Al49  1  0.028385  0.581545  0.501016  1
  Al  Al50  1  0.028188  0.130754  0.455038  1
  Al  Al51  1  0.182301  0.721305  0.462097  1
  Al  Al52  1  0.183300  0.171185  0.507448  1
  Al  Al53  1  0.181922  0.445883  0.535233  1
  Al  Al54  1  0.182849  0.995375  0.489644  1
  Al  Al55  1  0.324396  0.720814  0.512627  1
  Al  Al56  1  0.324433  0.270136  0.466714  1
  Al  Al57  1  0.682277  0.645980  0.531360  1
  Al  Al58  1  0.682313  0.195301  0.485447  1
  Al  Al59  1  0.823861  0.920740  0.508430  1
  Al  Al60  1  0.824787  0.470232  0.462841  1
  Al  Al61  1  0.682959  0.469933  0.513303  1
  Al  Al62  1  0.683095  0.019747  0.467573  1
  Al  Al63  1  0.823410  0.744930  0.490627  1
  Al  Al64  1  0.824409  0.194810  0.535977  1
  Al  Al65  1  0.323615  0.896368  0.530501  1
  Al  Al66  1  0.323751  0.446182  0.484771  1
  Al  Al67  1  0.528297  0.609976  0.474461  1
  Al  Al68  1  0.528620  0.059820  0.519950  1
  Al  Al69  1  0.978521  0.785361  0.543037  1
  Al  Al70  1  0.978325  0.334570  0.497058  1
  Al  Al71  1  0.478089  0.856296  0.478125  1
  Al  Al72  1  0.478412  0.306140  0.523614  1
  Al  Al73  1  0.027418  0.481803  0.592294  1
  Al  Al74  1  0.028349  0.030890  0.546495  1
  Al  Al75  1  0.183608  0.621901  0.553329  1
  Al  Al76  1  0.185413  0.071348  0.598862  1
  Al  Al77  1  0.188085  0.345511  0.626592  1
  Al  Al78  1  0.184975  0.895642  0.581317  1
  Al  Al79  1  0.321472  0.621596  0.604020  1
  Al  Al80  1  0.322787  0.170557  0.558053  1
  Al  Al81  1  0.677858  0.546428  0.621814  1
  Al  Al82  1  0.681497  0.095199  0.576374  1
  Al  Al83  1  0.826585  0.821073  0.600086  1
  Al  Al84  1  0.824421  0.370832  0.553922  1
  Al  Al85  1  0.679417  0.369900  0.604203  1
  Al  Al86  1  0.682837  0.919475  0.559134  1
  Al  Al87  1  0.825519  0.645847  0.581888  1
  Al  Al88  1  0.824513  0.096383  0.626332  1
  Al  Al89  1  0.322568  0.796442  0.622497  1
  Al  Al90  1  0.322389  0.346607  0.575781  1
  Al  Al91  1  0.528173  0.510537  0.565577  1
  Al  Al92  1  0.530242  0.959344  0.611840  1
  Al  Al93  1  0.977138  0.683770  0.635082  1
  Al  Al94  1  0.977582  0.235338  0.588499  1
  Al  Al95  1  0.479515  0.756686  0.569729  1
  Al  Al96  1  0.478669  0.206076  0.614818  1
  Al  Al97  1  0.039235  0.383994  0.679931  1
  Al  Al98  1  0.030431  0.932563  0.638286  1
  Al  Al99  1  0.193805  0.522159  0.645088  1
  Al  Al100  1  0.181138  0.972800  0.691152  1
  Al  Al101  1  0.141462  0.252435  0.716137  1
  Al  Al102  1  0.175981  0.794893  0.672777  1
  Al  Al103  1  0.316979  0.514313  0.696325  1
  Al  Al104  1  0.324226  0.070019  0.649405  1
  Al  Al105  1  0.694826  0.441794  0.712133  1
  Al  Al106  1  0.684941  0.998030  0.666776  1
  Al  Al107  1  0.816829  0.725129  0.693427  1
  Al  Al108  1  0.823977  0.273360  0.645110  1
  Al  Al109  1  0.697887  0.264635  0.697306  1
  Al  Al110  1  0.685759  0.819009  0.650448  1
  Al  Al111  1  0.829727  0.545521  0.670933  1
  Al  Al112  1  0.807947  1.001924  0.717708  1
  Al  Al113  1  0.340679  0.696140  0.713478  1
  Al  Al114  1  0.329776  0.246450  0.667121  1
  Al  Al115  1  0.536615  0.411197  0.656956  1
  Al  Al116  1  0.524821  0.865848  0.699771  1
  Al  Al117  1  0.973120  0.584408  0.720954  1
  Al  Al118  1  0.979677  0.135991  0.676489  1
  Al  Al119  1  0.477488  0.656110  0.660990  1
  Al  Al120  1  0.459589  0.111156  0.702604  1
  Ni  Ni121  1  0.900011  0.819533  0.279512  1
  Ni  Ni122  1  0.883755  0.277700  0.319262  1
  Ni  Ni123  1  0.382695  0.760896  0.336201  1
  Ni  Ni124  1  0.389430  0.317776  0.293523  1
  Ni  Ni125  1  0.123047  0.033559  0.312398  1
  Ni  Ni126  1  0.116369  0.485124  0.359773  1
  Ni  Ni127  1  0.622215  0.003875  0.342695  1
  Ni  Ni128  1  0.617325  0.556553  0.299355  1
  Ni  Ni129  1  0.883600  0.727520  0.366524  1
  Ni  Ni130  1  0.883217  0.177358  0.411922  1
  Ni  Ni131  1  0.385306  0.662911  0.426444  1
  Ni  Ni132  1  0.384847  0.212259  0.380384  1
  Ni  Ni133  1  0.120896  0.937715  0.403372  1
  Ni  Ni134  1  0.122062  0.387312  0.448935  1
  Ni  Ni135  1  0.622645  0.903400  0.435113  1
  Ni  Ni136  1  0.624216  0.452611  0.389619  1
  Ni  Ni137  1  0.884676  0.628063  0.458003  1
  Ni  Ni138  1  0.884828  0.078186  0.503350  1
  Ni  Ni139  1  0.384596  0.563072  0.517487  1
  Ni  Ni140  1  0.384426  0.112670  0.471638  1
  Ni  Ni141  1  0.121882  0.837930  0.494725  1
  Ni  Ni142  1  0.122034  0.288052  0.540071  1
  Ni  Ni143  1  0.622284  0.803445  0.526437  1
  Ni  Ni144  1  0.622114  0.353044  0.480587  1
  Ni  Ni145  1  0.884647  0.528804  0.549139  1
  Ni  Ni146  1  0.885814  0.978400  0.594702  1
  Ni  Ni147  1  0.382494  0.463504  0.608455  1
  Ni  Ni148  1  0.384065  0.012715  0.562962  1
  Ni  Ni149  1  0.123492  0.738757  0.586153  1
  Ni  Ni150  1  0.123110  0.188596  0.631550  1
  Ni  Ni151  1  0.621862  0.703856  0.617690  1
  Ni  Ni152  1  0.621403  0.253204  0.571631  1
  Ni  Ni153  1  0.890341  0.430992  0.638301  1
  Ni  Ni154  1  0.883663  0.882556  0.685676  1
  Ni  Ni155  1  0.389385  0.359562  0.698720  1
  Ni  Ni156  1  0.384495  0.912240  0.655379  1
  Ni  Ni157  1  0.122955  0.638415  0.678812  1
  Ni  Ni158  1  0.106699  0.096583  0.718562  1
  Ni  Ni159  1  0.617280  0.598340  0.704552  1
  Ni  Ni160  1  0.624015  0.155220  0.661874  1
