# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00157561
_cell_length_b   10.15871620
_cell_length_c   47.18314768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3527.97840137
_cell_formula_units_Z   72
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  0.273594  0.125983  0.299333  1
  Al  Al2  1  0.773594  0.125983  0.299333  1
  Al  Al3  1  0.711162  0.500996  0.285335  1
  Al  Al4  1  0.134087  0.846343  0.273582  1
  Al  Al5  1  0.211162  0.500996  0.285335  1
  Al  Al6  1  0.634087  0.846343  0.273582  1
  Al  Al7  1  0.979193  0.037698  0.338857  1
  Al  Al8  1  0.479193  0.037698  0.338857  1
  Al  Al9  1  0.409368  0.397811  0.327016  1
  Al  Al10  1  0.841793  0.762476  0.312613  1
  Al  Al11  1  0.909368  0.397811  0.327016  1
  Al  Al12  1  0.341793  0.762476  0.312613  1
  Al  Al13  1  0.681863  0.943703  0.377165  1
  Al  Al14  1  0.181863  0.943703  0.377165  1
  Al  Al15  1  0.114106  0.307953  0.364057  1
  Al  Al16  1  0.546283  0.672064  0.352395  1
  Al  Al17  1  0.614106  0.307953  0.364057  1
  Al  Al18  1  0.046283  0.672064  0.352395  1
  Al  Al19  1  0.386002  0.852734  0.415619  1
  Al  Al20  1  0.886002  0.852734  0.415619  1
  Al  Al21  1  0.817682  0.215822  0.402871  1
  Al  Al22  1  0.250147  0.580536  0.389961  1
  Al  Al23  1  0.317682  0.215822  0.402871  1
  Al  Al24  1  0.750147  0.580536  0.389961  1
  Al  Al25  1  0.089774  0.760976  0.454322  1
  Al  Al26  1  0.589774  0.760976  0.454322  1
  Al  Al27  1  0.521809  0.124818  0.441277  1
  Al  Al28  1  0.953758  0.488455  0.428700  1
  Al  Al29  1  0.021809  0.124818  0.441277  1
  Al  Al30  1  0.453758  0.488455  0.428700  1
  Al  Al31  1  0.793665  0.669493  0.492650  1
  Al  Al32  1  0.293665  0.669493  0.492650  1
  Al  Al33  1  0.225579  0.033072  0.479839  1
  Al  Al34  1  0.657713  0.397105  0.466916  1
  Al  Al35  1  0.725579  0.033072  0.479839  1
  Al  Al36  1  0.157713  0.397105  0.466916  1
  Al  Al37  1  0.497422  0.577727  0.531217  1
  Al  Al38  1  0.997422  0.577727  0.531217  1
  Al  Al39  1  0.929556  0.941761  0.518293  1
  Al  Al40  1  0.361470  0.305339  0.505482  1
  Al  Al41  1  0.429556  0.941761  0.518293  1
  Al  Al42  1  0.861470  0.305339  0.505482  1
  Al  Al43  1  0.201377  0.486378  0.569433  1
  Al  Al44  1  0.701377  0.486378  0.569433  1
  Al  Al45  1  0.633326  0.850014  0.556855  1
  Al  Al46  1  0.065361  0.213857  0.543810  1
  Al  Al47  1  0.133326  0.850014  0.556855  1
  Al  Al48  1  0.565361  0.213857  0.543810  1
  Al  Al49  1  0.904988  0.394297  0.608172  1
  Al  Al50  1  0.404988  0.394297  0.608172  1
  Al  Al51  1  0.337453  0.759011  0.595261  1
  Al  Al52  1  0.769133  0.122098  0.582513  1
  Al  Al53  1  0.837453  0.759011  0.595261  1
  Al  Al54  1  0.269133  0.122098  0.582513  1
  Al  Al55  1  0.608852  0.302768  0.645737  1
  Al  Al56  1  0.108852  0.302768  0.645737  1
  Al  Al57  1  0.041029  0.666880  0.634076  1
  Al  Al58  1  0.473271  0.031129  0.620967  1
  Al  Al59  1  0.541029  0.666880  0.634076  1
  Al  Al60  1  0.973271  0.031129  0.620967  1
  Al  Al61  1  0.313342  0.212356  0.685519  1
  Al  Al62  1  0.813342  0.212356  0.685519  1
  Al  Al63  1  0.745767  0.577022  0.671116  1
  Al  Al64  1  0.175942  0.937134  0.659275  1
  Al  Al65  1  0.245767  0.577022  0.671116  1
  Al  Al66  1  0.675942  0.937134  0.659275  1
  Al  Al67  1  0.021047  0.128489  0.724550  1
  Al  Al68  1  0.521047  0.128489  0.724550  1
  Al  Al69  1  0.443973  0.473837  0.712798  1
  Al  Al70  1  0.881541  0.848850  0.698799  1
  Al  Al71  1  0.943973  0.473837  0.712798  1
  Al  Al72  1  0.381541  0.848850  0.698799  1
  Ni  Ni73  1  0.957063  0.992599  0.288463  1
  Ni  Ni74  1  0.457063  0.992599  0.288463  1
  Ni  Ni75  1  0.389639  0.357528  0.276960  1
  Ni  Ni76  1  0.522393  0.623607  0.302197  1
  Ni  Ni77  1  0.889639  0.357528  0.276960  1
  Ni  Ni78  1  0.022393  0.623607  0.302197  1
  Ni  Ni79  1  0.659913  0.898914  0.325852  1
  Ni  Ni80  1  0.159913  0.898914  0.325852  1
  Ni  Ni81  1  0.093583  0.265976  0.311799  1
  Ni  Ni82  1  0.228400  0.536044  0.338411  1
  Ni  Ni83  1  0.593583  0.265976  0.311799  1
  Ni  Ni84  1  0.728400  0.536044  0.338411  1
  Ni  Ni85  1  0.364433  0.808600  0.364131  1
  Ni  Ni86  1  0.864433  0.808600  0.364131  1
  Ni  Ni87  1  0.795421  0.170406  0.351521  1
  Ni  Ni88  1  0.931715  0.443449  0.377670  1
  Ni  Ni89  1  0.295421  0.170406  0.351521  1
  Ni  Ni90  1  0.431715  0.443449  0.377670  1
  Ni  Ni91  1  0.067953  0.716410  0.403209  1
  Ni  Ni92  1  0.567953  0.716410  0.403209  1
  Ni  Ni93  1  0.500107  0.080426  0.389973  1
  Ni  Ni94  1  0.635921  0.352522  0.415532  1
  Ni  Ni95  1  1.000107  0.080426  0.389973  1
  Ni  Ni96  1  0.135921  0.352522  0.415532  1
  Ni  Ni97  1  0.771963  0.625099  0.441323  1
  Ni  Ni98  1  0.271963  0.625099  0.441323  1
  Ni  Ni99  1  0.203710  0.988389  0.428525  1
  Ni  Ni100  1  0.339590  0.260627  0.454196  1
  Ni  Ni101  1  0.703710  0.988389  0.428525  1
  Ni  Ni102  1  0.839590  0.260627  0.454196  1
  Ni  Ni103  1  0.475592  0.533112  0.479926  1
  Ni  Ni104  1  0.975592  0.533112  0.479926  1
  Ni  Ni105  1  0.907773  0.897214  0.466978  1
  Ni  Ni106  1  0.043601  0.169354  0.492561  1
  Ni  Ni107  1  0.407773  0.897214  0.466978  1
  Ni  Ni108  1  0.543601  0.169354  0.492561  1
  Ni  Ni109  1  0.179543  0.441720  0.518207  1
  Ni  Ni110  1  0.679543  0.441720  0.518207  1
  Ni  Ni111  1  0.611534  0.805478  0.505571  1
  Ni  Ni112  1  0.747362  0.077618  0.531154  1
  Ni  Ni113  1  0.111534  0.805478  0.505571  1
  Ni  Ni114  1  0.247362  0.077618  0.531154  1
  Ni  Ni115  1  0.883172  0.349733  0.556809  1
  Ni  Ni116  1  0.383172  0.349733  0.556809  1
  Ni  Ni117  1  0.315545  0.714205  0.543936  1
  Ni  Ni118  1  0.451425  0.986444  0.569607  1
  Ni  Ni119  1  0.815545  0.714205  0.543936  1
  Ni  Ni120  1  0.951425  0.986444  0.569607  1
  Ni  Ni121  1  0.587181  0.258422  0.594924  1
  Ni  Ni122  1  0.087181  0.258422  0.594924  1
  Ni  Ni123  1  0.019214  0.622310  0.582600  1
  Ni  Ni124  1  0.155028  0.894407  0.608159  1
  Ni  Ni125  1  0.519214  0.622310  0.582600  1
  Ni  Ni126  1  0.655028  0.894407  0.608159  1
  Ni  Ni127  1  0.290702  0.166233  0.634001  1
  Ni  Ni128  1  0.790702  0.166233  0.634001  1
  Ni  Ni129  1  0.723420  0.531383  0.620463  1
  Ni  Ni130  1  0.859714  0.804426  0.646612  1
  Ni  Ni131  1  0.223420  0.531383  0.620463  1
  Ni  Ni132  1  0.359714  0.804426  0.646612  1
  Ni  Ni133  1  0.995222  0.075919  0.672280  1
  Ni  Ni134  1  0.495222  0.075919  0.672280  1
  Ni  Ni135  1  0.426735  0.438788  0.659721  1
  Ni  Ni136  1  0.561552  0.708856  0.686334  1
  Ni  Ni137  1  0.926735  0.438788  0.659721  1
  Ni  Ni138  1  0.061552  0.708856  0.686334  1
  Ni  Ni139  1  0.698072  0.982233  0.709669  1
  Ni  Ni140  1  0.198072  0.982233  0.709669  1
  Ni  Ni141  1  0.132742  0.351225  0.695935  1
  Ni  Ni142  1  0.265496  0.617304  0.721172  1
  Ni  Ni143  1  0.632742  0.351225  0.695935  1
  Ni  Ni144  1  0.765496  0.617304  0.721172  1
