# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74292738
_cell_length_b   16.30293323
_cell_length_c   56.08289175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.43661772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al90 Cu90'
_cell_volume   6164.98495841
_cell_formula_units_Z   90
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  0.804712  0.828256  0.295053  1
  Al  Al2  1  0.166115  0.190615  0.407372  1
  Al  Al3  1  0.830109  0.029526  0.346103  1
  Al  Al4  1  0.692851  0.385901  0.402315  1
  Al  Al5  1  0.797773  0.184668  0.356627  1
  Al  Al6  1  0.824933  0.990481  0.300568  1
  Al  Al7  1  0.137177  0.586378  0.302687  1
  Al  Al8  1  0.224906  0.037916  0.396783  1
  Al  Al9  1  0.258425  0.835181  0.351457  1
  Al  Al10  1  0.975076  0.449940  0.372142  1
  Al  Al11  1  0.067210  0.255737  0.329455  1
  Al  Al12  1  0.036279  0.653066  0.417618  1
  Al  Al13  1  0.846816  0.553883  0.334393  1
  Al  Al14  1  0.710636  0.313254  0.303961  1
  Al  Al15  1  0.973101  0.763473  0.380012  1
  Al  Al16  1  0.577725  0.488553  0.368518  1
  Al  Al17  1  0.308985  0.344146  0.302087  1
  Al  Al18  1  0.371915  0.723240  0.391480  1
  Al  Al19  1  0.238061  0.674233  0.346660  1
  Al  Al20  1  0.246699  0.516586  0.343970  1
  Al  Al21  1  0.282323  0.881060  0.398781  1
  Al  Al22  1  0.676568  0.599354  0.403568  1
  Al  Al23  1  0.718555  0.340843  0.352682  1
  Al  Al24  1  0.745950  0.152652  0.308874  1
  Al  Al25  1  0.526158  0.750261  0.319542  1
  Al  Al26  1  0.524952  0.147972  0.422868  1
  Al  Al27  1  0.548843  0.952274  0.370102  1
  Al  Al28  1  0.148423  0.766598  0.306573  1
  Al  Al29  1  0.448748  0.263973  0.382607  1
  Al  Al30  1  0.459763  0.063821  0.329813  1
  Al  Al31  1  0.167936  0.406777  0.453355  1
  Al  Al32  1  0.906500  0.847119  0.534249  1
  Al  Al33  1  0.160912  0.590566  0.503826  1
  Al  Al34  1  0.881018  0.011556  0.541285  1
  Al  Al35  1  0.860078  0.792292  0.486404  1
  Al  Al36  1  0.751865  0.569823  0.450981  1
  Al  Al37  1  0.153772  0.221696  0.455679  1
  Al  Al38  1  0.329299  0.689227  0.541328  1
  Al  Al39  1  0.182693  0.415511  0.508168  1
  Al  Al40  1  0.157197  0.077652  0.508606  1
  Al  Al41  1  0.147728  0.876298  0.461094  1
  Al  Al42  1  0.167752  0.252523  0.556543  1
  Al  Al43  1  0.866901  0.148329  0.484087  1
  Al  Al44  1  0.959982  0.965875  0.424820  1
  Al  Al45  1  0.879864  0.336440  0.534666  1
  Al  Al46  1  0.445944  0.148451  0.481273  1
  Al  Al47  1  0.700356  0.891898  0.450850  1
  Al  Al48  1  0.438920  0.332240  0.531744  1
  Al  Al49  1  0.424163  0.323506  0.476932  1
  Al  Al50  1  0.277557  0.049790  0.443772  1
  Al  Al51  1  0.453084  0.517321  0.529420  1
  Al  Al52  1  0.854992  0.169194  0.534119  1
  Al  Al53  1  0.746779  0.946725  0.498695  1
  Al  Al54  1  0.725839  0.727460  0.443814  1
  Al  Al55  1  0.726993  0.402577  0.450433  1
  Al  Al56  1  0.646874  0.773142  0.560279  1
  Al  Al57  1  0.739956  0.590688  0.501012  1
  Al  Al58  1  0.439105  0.486493  0.428556  1
  Al  Al59  1  0.459128  0.862719  0.524005  1
  Al  Al60  1  0.449660  0.661365  0.476493  1
  Al  Al61  1  0.234941  0.015777  0.593620  1
  Al  Al62  1  0.297872  0.394871  0.683012  1
  Al  Al63  1  0.029131  0.250463  0.616581  1
  Al  Al64  1  0.860907  0.586365  0.676225  1
  Al  Al65  1  0.888301  0.398174  0.632418  1
  Al  Al66  1  0.930289  0.139663  0.581531  1
  Al  Al67  1  0.324534  0.857957  0.586318  1
  Al  Al68  1  0.360158  0.222431  0.641129  1
  Al  Al69  1  0.368796  0.064784  0.638440  1
  Al  Al70  1  0.147094  0.675196  0.655286  1
  Al  Al71  1  0.158108  0.475044  0.602492  1
  Al  Al72  1  0.458434  0.972419  0.678527  1
  Al  Al73  1  0.058014  0.786743  0.614998  1
  Al  Al74  1  0.081905  0.591044  0.562231  1
  Al  Al75  1  0.080699  0.988755  0.665557  1
  Al  Al76  1  0.776748  0.709490  0.638997  1
  Al  Al77  1  0.440741  0.548401  0.577727  1
  Al  Al78  1  0.802145  0.910761  0.690046  1
  Al  Al79  1  0.348432  0.903836  0.633643  1
  Al  Al80  1  0.381951  0.701101  0.588316  1
  Al  Al81  1  0.469680  0.152639  0.682413  1
  Al  Al82  1  0.781923  0.748536  0.684531  1
  Al  Al83  1  0.809083  0.554349  0.628472  1
  Al  Al84  1  0.914005  0.353116  0.582785  1
  Al  Al85  1  0.633756  0.975544  0.605087  1
  Al  Al86  1  0.896221  0.425762  0.681138  1
  Al  Al87  1  0.760040  0.185134  0.650707  1
  Al  Al88  1  0.570578  0.085951  0.567482  1
  Al  Al89  1  0.539646  0.483280  0.655645  1
  Al  Al90  1  0.631781  0.289077  0.612957  1
  Cu  Cu91  1  0.963060  0.608237  0.373741  1
  Cu  Cu92  1  0.991559  0.411451  0.323514  1
  Cu  Cu93  1  0.028801  0.231020  0.285592  1
  Cu  Cu94  1  0.878051  0.716818  0.336818  1
  Cu  Cu95  1  0.798521  0.497614  0.292751  1
  Cu  Cu96  1  0.921224  0.920983  0.381158  1
  Cu  Cu97  1  0.995609  0.491114  0.417643  1
  Cu  Cu98  1  0.051858  0.294523  0.375384  1
  Cu  Cu99  1  0.102096  0.097221  0.317871  1
  Cu  Cu100  1  1.015039  0.328082  0.420824  1
  Cu  Cu101  1  0.171066  0.145055  0.361126  1
  Cu  Cu102  1  0.187086  0.989178  0.354011  1
  Cu  Cu103  1  0.806187  0.661061  0.296365  1
  Cu  Cu104  1  0.850709  0.075520  0.391674  1
  Cu  Cu105  1  0.900208  0.873167  0.338167  1
  Cu  Cu106  1  0.419299  0.308092  0.428763  1
  Cu  Cu107  1  0.511788  0.108831  0.375846  1
  Cu  Cu108  1  0.545005  0.908295  0.325312  1
  Cu  Cu109  1  0.283841  0.402992  0.395042  1
  Cu  Cu110  1  0.452260  0.225875  0.337485  1
  Cu  Cu111  1  0.180063  0.934297  0.312780  1
  Cu  Cu112  1  0.509117  0.593543  0.316327  1
  Cu  Cu113  1  0.579872  0.988923  0.414810  1
  Cu  Cu114  1  0.629289  0.801101  0.362108  1
  Cu  Cu115  1  0.599189  0.645973  0.359486  1
  Cu  Cu116  1  0.559673  0.444027  0.322994  1
  Cu  Cu117  1  0.667278  0.834543  0.405844  1
  Cu  Cu118  1  0.286392  0.563053  0.390815  1
  Cu  Cu119  1  0.313143  0.364900  0.349949  1
  Cu  Cu120  1  0.368728  0.184467  0.296974  1
  Cu  Cu121  1  0.163800  0.241097  0.507563  1
  Cu  Cu122  1  0.997805  0.011851  0.470743  1
  Cu  Cu123  1  1.009578  0.808700  0.423719  1
  Cu  Cu124  1  0.940104  0.323030  0.481991  1
  Cu  Cu125  1  0.911612  0.120245  0.434622  1
  Cu  Cu126  1  0.877659  0.493680  0.534635  1
  Cu  Cu127  1  0.208134  0.095861  0.553437  1
  Cu  Cu128  1  0.131412  0.918293  0.505580  1
  Cu  Cu129  1  0.112287  0.714355  0.460234  1
  Cu  Cu130  1  0.221692  0.944534  0.549625  1
  Cu  Cu131  1  0.205845  0.761146  0.502897  1
  Cu  Cu132  1  0.151476  0.564618  0.455375  1
  Cu  Cu133  1  0.788390  0.227879  0.401983  1
  Cu  Cu134  1  0.950826  0.692591  0.528262  1
  Cu  Cu135  1  0.936595  0.481375  0.481829  1
  Cu  Cu136  1  0.597278  0.930317  0.561380  1
  Cu  Cu137  1  0.609051  0.727166  0.514357  1
  Cu  Cu138  1  0.443057  0.497920  0.477537  1
  Cu  Cu139  1  0.494570  0.024662  0.524865  1
  Cu  Cu140  1  0.475444  0.820724  0.479519  1
  Cu  Cu141  1  0.398723  0.643156  0.431662  1
  Cu  Cu142  1  0.729197  0.245337  0.450464  1
  Cu  Cu143  1  0.695244  0.618772  0.550478  1
  Cu  Cu144  1  0.666753  0.415987  0.503108  1
  Cu  Cu145  1  0.670261  0.257642  0.503270  1
  Cu  Cu146  1  0.656030  0.046426  0.456837  1
  Cu  Cu147  1  0.818467  0.511138  0.583116  1
  Cu  Cu148  1  0.455381  0.174399  0.529724  1
  Cu  Cu149  1  0.401012  0.977871  0.482202  1
  Cu  Cu150  1  0.385165  0.794482  0.435474  1
  Cu  Cu151  1  0.061852  0.830722  0.659787  1
  Cu  Cu152  1  0.095069  0.630186  0.609254  1
  Cu  Cu153  1  0.187557  0.430925  0.556336  1
  Cu  Cu154  1  0.977567  0.937915  0.622991  1
  Cu  Cu155  1  0.026984  0.750094  0.570289  1
  Cu  Cu156  1  0.097739  0.145474  0.668772  1
  Cu  Cu157  1  0.426794  0.804720  0.672319  1
  Cu  Cu158  1  0.154597  0.513142  0.647614  1
  Cu  Cu159  1  0.323015  0.336025  0.590058  1
  Cu  Cu160  1  0.238129  0.554550  0.688125  1
  Cu  Cu161  1  0.293713  0.374117  0.635150  1
  Cu  Cu162  1  0.320464  0.175964  0.594284  1
  Cu  Cu163  1  0.939578  0.904474  0.579255  1
  Cu  Cu164  1  0.047183  0.294990  0.662105  1
  Cu  Cu165  1  1.007668  0.093044  0.625613  1
  Cu  Cu166  1  0.578056  0.507997  0.699507  1
  Cu  Cu167  1  0.615297  0.327566  0.661585  1
  Cu  Cu168  1  0.643796  0.130780  0.611358  1
  Cu  Cu169  1  0.504761  0.641796  0.667228  1
  Cu  Cu170  1  0.554998  0.444494  0.609715  1
  Cu  Cu171  1  0.611248  0.247903  0.567456  1
  Cu  Cu172  1  0.685633  0.818034  0.603942  1
  Cu  Cu173  1  0.808335  0.241403  0.692349  1
  Cu  Cu174  1  0.728806  0.022199  0.648281  1
  Cu  Cu175  1  0.706648  0.865850  0.646932  1
  Cu  Cu176  1  0.756148  0.663496  0.593425  1
  Cu  Cu177  1  0.800669  0.077956  0.688734  1
  Cu  Cu178  1  0.419771  0.749839  0.631088  1
  Cu  Cu179  1  0.435791  0.593962  0.623973  1
  Cu  Cu180  1  0.591817  0.410935  0.564275  1
