# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01455370
_cell_length_b   12.58671786
_cell_length_c   60.76116866
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al40 Ni120'
_cell_volume   3835.04886651
_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  1.052640  0.839349  0.278144  1
  Al  Al2  1  1.052640  0.449699  0.225445  1
  Al  Al3  1  0.552640  0.626295  0.239639  1
  Al  Al4  1  0.552640  0.025222  0.293720  1
  Al  Al5  1  0.552640  0.949699  0.225445  1
  Al  Al6  1  0.552640  0.339349  0.278144  1
  Al  Al7  1  1.052640  0.525222  0.293720  1
  Al  Al8  1  1.052640  0.126295  0.239639  1
  Al  Al9  1  1.052640  0.605064  0.362540  1
  Al  Al10  1  1.052640  0.209904  0.308849  1
  Al  Al11  1  0.552640  0.420244  0.347272  1
  Al  Al12  1  0.552640  0.789852  0.377717  1
  Al  Al13  1  0.552640  0.709904  0.308849  1
  Al  Al14  1  0.552640  0.105064  0.362540  1
  Al  Al15  1  1.052640  0.289852  0.377717  1
  Al  Al16  1  1.052640  0.920244  0.347272  1
  Al  Al17  1  1.052640  0.369677  0.446648  1
  Al  Al18  1  1.052640  0.000122  0.416261  1
  Al  Al19  1  0.552640  0.184900  0.431458  1
  Al  Al20  1  0.552640  0.579958  0.485220  1
  Al  Al21  1  0.552640  0.500122  0.416261  1
  Al  Al22  1  0.552640  0.869677  0.446648  1
  Al  Al23  1  1.052640  0.079958  0.485220  1
  Al  Al24  1  1.052640  0.684900  0.431458  1
  Al  Al25  1  1.052640  0.159827  0.554182  1
  Al  Al26  1  1.052640  0.764721  0.500393  1
  Al  Al27  1  0.552640  0.949509  0.515602  1
  Al  Al28  1  0.552640  0.344517  0.569304  1
  Al  Al29  1  0.552640  0.264721  0.500393  1
  Al  Al30  1  0.552640  0.659827  0.554182  1
  Al  Al31  1  0.052640  0.844517  0.569304  1
  Al  Al32  1  1.052640  0.449509  0.515602  1
  Al  Al33  1  1.052640  0.925056  0.637817  1
  Al  Al34  1  1.052640  0.529500  0.584577  1
  Al  Al35  1  0.552640  0.740076  0.623348  1
  Al  Al36  1  0.552640  0.110331  0.653156  1
  Al  Al37  1  0.552640  0.029500  0.584577  1
  Al  Al38  1  0.552640  0.425056  0.637817  1
  Al  Al39  1  1.052640  0.610331  0.653156  1
  Al  Al40  1  1.052640  0.240076  0.623348  1
  Ni  Ni41  1  0.303142  0.379923  0.312442  1
  Ni  Ni42  1  0.302262  0.984484  0.259727  1
  Ni  Ni43  1  0.552640  0.840445  0.277934  1
  Ni  Ni44  1  0.552640  0.441938  0.225292  1
  Ni  Ni45  1  0.303018  0.484484  0.259727  1
  Ni  Ni46  1  0.302138  0.879923  0.312442  1
  Ni  Ni47  1  0.800248  0.798482  0.243235  1
  Ni  Ni48  1  0.803788  0.169810  0.274806  1
  Ni  Ni49  1  1.052640  0.630176  0.240563  1
  Ni  Ni50  1  1.052640  0.024949  0.293799  1
  Ni  Ni51  1  0.801492  0.669810  0.274806  1
  Ni  Ni52  1  0.805031  0.298482  0.243235  1
  Ni  Ni53  1  0.802262  0.484484  0.259727  1
  Ni  Ni54  1  0.803142  0.879923  0.312442  1
  Ni  Ni55  1  0.052640  0.941938  0.225292  1
  Ni  Ni56  1  1.052640  0.340445  0.277934  1
  Ni  Ni57  1  0.802138  0.379923  0.312442  1
  Ni  Ni58  1  0.803018  0.984484  0.259727  1
  Ni  Ni59  1  0.303788  0.669810  0.274806  1
  Ni  Ni60  1  0.300248  0.298482  0.243235  1
  Ni  Ni61  1  0.552640  0.524949  0.293799  1
  Ni  Ni62  1  0.552640  0.130176  0.240563  1
  Ni  Ni63  1  0.305031  0.798482  0.243235  1
  Ni  Ni64  1  0.301492  0.169810  0.274806  1
  Ni  Ni65  1  0.302555  0.144985  0.396994  1
  Ni  Ni66  1  0.303023  0.750168  0.343597  1
  Ni  Ni67  1  0.552640  0.605080  0.362541  1
  Ni  Ni68  1  0.552640  0.209244  0.309285  1
  Ni  Ni69  1  0.302257  0.250168  0.343597  1
  Ni  Ni70  1  0.302724  0.644985  0.396994  1
  Ni  Ni71  1  0.802670  0.565114  0.328119  1
  Ni  Ni72  1  0.803068  0.959968  0.381438  1
  Ni  Ni73  1  1.052640  0.420962  0.346822  1
  Ni  Ni74  1  1.052640  0.789077  0.378185  1
  Ni  Ni75  1  0.802212  0.459968  0.381438  1
  Ni  Ni76  1  0.802610  0.065114  0.328119  1
  Ni  Ni77  1  0.803023  0.250168  0.343597  1
  Ni  Ni78  1  0.802555  0.644985  0.396994  1
  Ni  Ni79  1  1.052640  0.709244  0.309285  1
  Ni  Ni80  1  1.052640  0.105080  0.362541  1
  Ni  Ni81  1  0.802724  0.144985  0.396994  1
  Ni  Ni82  1  0.802257  0.750168  0.343597  1
  Ni  Ni83  1  0.303068  0.459968  0.381438  1
  Ni  Ni84  1  0.302670  0.065114  0.328119  1
  Ni  Ni85  1  0.552640  0.289077  0.378185  1
  Ni  Ni86  1  0.552640  0.920962  0.346822  1
  Ni  Ni87  1  0.302610  0.565114  0.328119  1
  Ni  Ni88  1  0.302212  0.959968  0.381438  1
  Ni  Ni89  1  0.303063  0.909808  0.481462  1
  Ni  Ni90  1  0.303058  0.539824  0.450403  1
  Ni  Ni91  1  0.552640  0.368883  0.447124  1
  Ni  Ni92  1  0.552640  0.000911  0.415787  1
  Ni  Ni93  1  0.302222  0.039824  0.450403  1
  Ni  Ni94  1  0.302216  0.409808  0.481462  1
  Ni  Ni95  1  0.803054  0.329988  0.412516  1
  Ni  Ni96  1  0.802549  0.724808  0.465927  1
  Ni  Ni97  1  1.052640  0.184901  0.431459  1
  Ni  Ni98  1  1.052640  0.580753  0.484746  1
  Ni  Ni99  1  0.802731  0.224808  0.465927  1
  Ni  Ni100  1  0.802225  0.829988  0.412516  1
  Ni  Ni101  1  0.803058  0.039824  0.450403  1
  Ni  Ni102  1  0.803063  0.409808  0.481462  1
  Ni  Ni103  1  1.052640  0.500911  0.415787  1
  Ni  Ni104  1  1.052640  0.868883  0.447124  1
  Ni  Ni105  1  0.802216  0.909808  0.481462  1
  Ni  Ni106  1  0.802222  0.539824  0.450403  1
  Ni  Ni107  1  0.302549  0.224808  0.465927  1
  Ni  Ni108  1  0.303054  0.829988  0.412516  1
  Ni  Ni109  1  0.552640  0.080753  0.484746  1
  Ni  Ni110  1  0.552640  0.684901  0.431459  1
  Ni  Ni111  1  0.302225  0.329988  0.412516  1
  Ni  Ni112  1  0.302731  0.724808  0.465927  1
  Ni  Ni113  1  0.303293  0.699625  0.588358  1
  Ni  Ni114  1  0.302587  0.304628  0.534851  1
  Ni  Ni115  1  0.552640  0.160622  0.553719  1
  Ni  Ni116  1  0.552640  0.764708  0.500395  1
  Ni  Ni117  1  0.302693  0.804628  0.534851  1
  Ni  Ni118  1  0.301987  0.199625  0.588358  1
  Ni  Ni119  1  0.803044  0.119660  0.519363  1
  Ni  Ni120  1  0.803042  0.489679  0.550424  1
  Ni  Ni121  1  0.052640  0.948734  0.516075  1
  Ni  Ni122  1  1.052640  0.344534  0.569281  1
  Ni  Ni123  1  0.802238  0.989679  0.550424  1
  Ni  Ni124  1  0.802236  0.619660  0.519363  1
  Ni  Ni125  1  0.802587  0.804628  0.534851  1
  Ni  Ni126  1  0.803293  0.199625  0.588358  1
  Ni  Ni127  1  1.052640  0.264708  0.500395  1
  Ni  Ni128  1  1.052640  0.660622  0.553719  1
  Ni  Ni129  1  0.801987  0.699625  0.588358  1
  Ni  Ni130  1  0.802693  0.304628  0.534851  1
  Ni  Ni131  1  0.303042  0.989679  0.550424  1
  Ni  Ni132  1  0.303044  0.619660  0.519363  1
  Ni  Ni133  1  0.552640  0.844534  0.569281  1
  Ni  Ni134  1  0.552640  0.448734  0.516075  1
  Ni  Ni135  1  0.302236  0.119660  0.519363  1
  Ni  Ni136  1  0.302238  0.489679  0.550424  1
  Ni  Ni137  1  0.302349  0.465370  0.672468  1
  Ni  Ni138  1  0.303013  0.069870  0.619355  1
  Ni  Ni139  1  0.552640  0.923770  0.637895  1
  Ni  Ni140  1  0.552640  0.528677  0.585039  1
  Ni  Ni141  1  0.302267  0.569870  0.619355  1
  Ni  Ni142  1  0.302931  0.965370  0.672468  1
  Ni  Ni143  1  0.802348  0.884506  0.603671  1
  Ni  Ni144  1  0.801369  0.280331  0.658139  1
  Ni  Ni145  1  0.052640  0.741435  0.622638  1
  Ni  Ni146  1  0.052640  0.109880  0.654024  1
  Ni  Ni147  1  0.803911  0.780331  0.658139  1
  Ni  Ni148  1  0.802931  0.384506  0.603671  1
  Ni  Ni149  1  0.803013  0.569870  0.619355  1
  Ni  Ni150  1  0.802349  0.965370  0.672468  1
  Ni  Ni151  1  1.052640  0.028677  0.585039  1
  Ni  Ni152  1  1.052640  0.423770  0.637895  1
  Ni  Ni153  1  0.802931  0.465370  0.672468  1
  Ni  Ni154  1  0.802267  0.069870  0.619355  1
  Ni  Ni155  1  0.301369  0.780331  0.658139  1
  Ni  Ni156  1  0.302348  0.384506  0.603671  1
  Ni  Ni157  1  0.552640  0.609880  0.654024  1
  Ni  Ni158  1  0.552640  0.241435  0.622638  1
  Ni  Ni159  1  0.302931  0.884506  0.603671  1
  Ni  Ni160  1  0.303911  0.280331  0.658139  1
