# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90532404
_cell_length_b   8.90046153
_cell_length_c   46.37601918
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3657.40722896
_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  0.971143  0.305328  0.327054  1
  Al  Al2  1  0.304476  0.971995  0.327054  1
  Al  Al3  1  0.365622  0.366446  0.286246  1
  Al  Al4  1  0.637810  0.638661  0.327054  1
  Al  Al5  1  0.698955  0.033113  0.286246  1
  Al  Al6  1  0.665482  0.332997  0.306123  1
  Al  Al7  1  0.032288  0.699779  0.286246  1
  Al  Al8  1  0.998816  0.999663  0.306123  1
  Al  Al9  1  0.332149  0.666330  0.306123  1
  Al  Al10  1  0.876998  0.211087  0.380998  1
  Al  Al11  1  0.210332  0.877754  0.380998  1
  Al  Al12  1  0.272962  0.273761  0.344169  1
  Al  Al13  1  0.543665  0.544421  0.380998  1
  Al  Al14  1  0.606295  0.940428  0.344169  1
  Al  Al15  1  0.574930  0.242373  0.362335  1
  Al  Al16  1  0.939628  0.607094  0.344169  1
  Al  Al17  1  0.908264  0.909039  0.362335  1
  Al  Al18  1  0.241597  0.575706  0.362335  1
  Al  Al19  1  0.784920  0.118925  0.436771  1
  Al  Al20  1  0.118253  0.785592  0.436771  1
  Al  Al21  1  0.179746  0.180464  0.399728  1
  Al  Al22  1  0.451586  0.452259  0.436771  1
  Al  Al23  1  0.513080  0.847130  0.399728  1
  Al  Al24  1  0.482776  0.150138  0.418431  1
  Al  Al25  1  0.846413  0.513797  0.399728  1
  Al  Al26  1  0.816110  0.816805  0.418431  1
  Al  Al27  1  0.149443  0.483472  0.418431  1
  Al  Al28  1  0.692125  0.026048  0.492471  1
  Al  Al29  1  0.025458  0.692715  0.492471  1
  Al  Al30  1  0.087181  0.087823  0.455298  1
  Al  Al31  1  0.358791  0.359382  0.492471  1
  Al  Al32  1  0.420514  0.754490  0.455298  1
  Al  Al33  1  0.389583  0.056865  0.473888  1
  Al  Al34  1  0.753848  0.421157  0.455298  1
  Al  Al35  1  0.722916  0.723532  0.473888  1
  Al  Al36  1  0.056249  0.390199  0.473888  1
  Al  Al37  1  0.599238  0.933082  0.548097  1
  Al  Al38  1  0.932572  0.599749  0.548097  1
  Al  Al39  1  0.994633  0.995197  0.511048  1
  Al  Al40  1  0.265905  0.266415  0.548097  1
  Al  Al41  1  0.327966  0.661863  0.511048  1
  Al  Al42  1  0.296947  0.964151  0.529589  1
  Al  Al43  1  0.661299  0.328530  0.511048  1
  Al  Al44  1  0.630280  0.630817  0.529589  1
  Al  Al45  1  0.963613  0.297484  0.529589  1
  Al  Al46  1  0.506995  0.840760  0.603957  1
  Al  Al47  1  0.840328  0.507427  0.603957  1
  Al  Al48  1  0.901601  0.902084  0.566553  1
  Al  Al49  1  0.173661  0.174093  0.603957  1
  Al  Al50  1  0.234934  0.568751  0.566553  1
  Al  Al51  1  0.204467  0.871595  0.585247  1
  Al  Al52  1  0.568267  0.235418  0.566553  1
  Al  Al53  1  0.537801  0.538261  0.585247  1
  Al  Al54  1  0.871134  0.204928  0.585247  1
  Al  Al55  1  0.413127  0.746819  0.658605  1
  Al  Al56  1  0.746460  0.413485  0.658605  1
  Al  Al57  1  0.808811  0.809211  0.622393  1
  Al  Al58  1  0.079793  0.080152  0.658605  1
  Al  Al59  1  0.142144  0.475878  0.622393  1
  Al  Al60  1  0.111245  0.778289  0.640620  1
  Al  Al61  1  0.475478  0.142544  0.622393  1
  Al  Al62  1  0.444579  0.444955  0.640620  1
  Al  Al63  1  0.777912  0.111622  0.640620  1
  Al  Al64  1  0.315934  0.649600  0.716251  1
  Al  Al65  1  0.649267  0.316267  0.716251  1
  Al  Al66  1  0.718595  0.718908  0.678755  1
  Al  Al67  1  0.982600  0.982933  0.716251  1
  Al  Al68  1  0.051929  0.385574  0.678755  1
  Al  Al69  1  0.017078  0.684023  0.698311  1
  Al  Al70  1  0.385262  0.052241  0.678755  1
  Al  Al71  1  0.350411  0.350689  0.698311  1
  Al  Al72  1  0.683744  0.017356  0.698311  1
  Ni  Ni73  1  0.894227  0.228444  0.280695  1
  Ni  Ni74  1  0.227561  0.895111  0.280695  1
  Ni  Ni75  1  0.182697  0.183618  0.298089  1
  Ni  Ni76  1  0.560894  0.561777  0.280695  1
  Ni  Ni77  1  0.516030  0.850285  0.298089  1
  Ni  Ni78  1  0.483686  0.151179  0.315989  1
  Ni  Ni79  1  0.849363  0.516952  0.298089  1
  Ni  Ni80  1  0.817019  0.817846  0.315989  1
  Ni  Ni81  1  0.150353  0.484513  0.315989  1
  Ni  Ni82  1  0.787477  0.121623  0.334309  1
  Ni  Ni83  1  0.120811  0.788289  0.334309  1
  Ni  Ni84  1  0.089184  0.089986  0.353409  1
  Ni  Ni85  1  0.454144  0.454956  0.334309  1
  Ni  Ni86  1  0.422518  0.756653  0.353409  1
  Ni  Ni87  1  0.393650  0.061071  0.372451  1
  Ni  Ni88  1  0.755851  0.423319  0.353409  1
  Ni  Ni89  1  0.726983  0.727737  0.372451  1
  Ni  Ni90  1  0.060316  0.394404  0.372451  1
  Ni  Ni91  1  0.695244  0.029314  0.390442  1
  Ni  Ni92  1  0.028577  0.695981  0.390442  1
  Ni  Ni93  1  0.997745  0.998459  0.408841  1
  Ni  Ni94  1  0.361910  0.362647  0.390442  1
  Ni  Ni95  1  0.331078  0.665125  0.408841  1
  Ni  Ni96  1  0.300275  0.967623  0.427452  1
  Ni  Ni97  1  0.664412  0.331792  0.408841  1
  Ni  Ni98  1  0.633609  0.634289  0.427452  1
  Ni  Ni99  1  0.966942  0.300956  0.427452  1
  Ni  Ni100  1  0.602701  0.936690  0.446123  1
  Ni  Ni101  1  0.936035  0.603357  0.446123  1
  Ni  Ni102  1  0.905232  0.905863  0.464702  1
  Ni  Ni103  1  0.269368  0.270023  0.446123  1
  Ni  Ni104  1  0.238566  0.572530  0.464702  1
  Ni  Ni105  1  0.207541  0.874811  0.483181  1
  Ni  Ni106  1  0.571899  0.239197  0.464702  1
  Ni  Ni107  1  0.540874  0.541478  0.483181  1
  Ni  Ni108  1  0.874208  0.208145  0.483181  1
  Ni  Ni109  1  0.509962  0.843872  0.501708  1
  Ni  Ni110  1  0.843296  0.510539  0.501708  1
  Ni  Ni111  1  0.812342  0.812893  0.520239  1
  Ni  Ni112  1  0.176629  0.177206  0.501708  1
  Ni  Ni113  1  0.145676  0.479560  0.520239  1
  Ni  Ni114  1  0.114835  0.782025  0.538841  1
  Ni  Ni115  1  0.479009  0.146226  0.520239  1
  Ni  Ni116  1  0.448168  0.448692  0.538841  1
  Ni  Ni117  1  0.781501  0.115359  0.538841  1
  Ni  Ni118  1  0.417297  0.751129  0.557483  1
  Ni  Ni119  1  0.750631  0.417796  0.557483  1
  Ni  Ni120  1  0.719686  0.720156  0.575998  1
  Ni  Ni121  1  0.083964  0.084462  0.557483  1
  Ni  Ni122  1  0.053019  0.386823  0.575998  1
  Ni  Ni123  1  0.022114  0.689222  0.594381  1
  Ni  Ni124  1  0.386352  0.053489  0.575998  1
  Ni  Ni125  1  0.355447  0.355889  0.594381  1
  Ni  Ni126  1  0.688780  0.022556  0.594381  1
  Ni  Ni127  1  0.324113  0.657868  0.612727  1
  Ni  Ni128  1  0.657446  0.324535  0.612727  1
  Ni  Ni129  1  0.627743  0.628138  0.631760  1
  Ni  Ni130  1  0.990780  0.991201  0.612727  1
  Ni  Ni131  1  0.961076  0.294805  0.631760  1
  Ni  Ni132  1  0.930181  0.597203  0.650540  1
  Ni  Ni133  1  0.294410  0.961472  0.631760  1
  Ni  Ni134  1  0.263514  0.263870  0.650540  1
  Ni  Ni135  1  0.596847  0.930537  0.650540  1
  Ni  Ni136  1  0.232711  0.566376  0.668186  1
  Ni  Ni137  1  0.566044  0.233042  0.668186  1
  Ni  Ni138  1  0.535167  0.535493  0.686741  1
  Ni  Ni139  1  0.899377  0.899709  0.668186  1
  Ni  Ni140  1  0.868500  0.202160  0.686741  1
  Ni  Ni141  1  0.829810  0.496757  0.704779  1
  Ni  Ni142  1  0.201834  0.868827  0.686741  1
  Ni  Ni143  1  0.163143  0.163423  0.704779  1
  Ni  Ni144  1  0.496477  0.830090  0.704779  1
