# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.08680425
_cell_length_b   10.95728415
_cell_length_c   52.31883943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.91263723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al100 Cu100'
_cell_volume   6472.5865597
_cell_formula_units_Z   100
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  0.733249  0.125340  0.321652  1
  Al  Al2  1  0.774299  0.564615  0.298963  1
  Al  Al3  1  0.461746  0.486852  0.362101  1
  Al  Al4  1  0.547579  0.877328  0.305535  1
  Al  Al5  1  0.825266  0.371708  0.350573  1
  Al  Al6  1  0.954724  0.798378  0.294806  1
  Al  Al7  1  0.267522  0.572783  0.363040  1
  Al  Al8  1  0.347929  0.885674  0.327825  1
  Al  Al9  1  0.059468  0.420067  0.331442  1
  Al  Al10  1  0.196628  0.836698  0.287653  1
  Al  Al11  1  0.278878  0.291172  0.286752  1
  Al  Al12  1  0.125335  0.914907  0.330564  1
  Al  Al13  1  0.104192  0.049283  0.287746  1
  Al  Al14  1  0.955661  0.625191  0.332989  1
  Al  Al15  1  0.402534  0.262234  0.393967  1
  Al  Al16  1  0.304042  0.477247  0.320205  1
  Al  Al17  1  0.932554  0.158672  0.296458  1
  Al  Al18  1  0.805630  0.745917  0.338281  1
  Al  Al19  1  0.517181  0.235370  0.349164  1
  Al  Al20  1  0.581873  0.646977  0.318089  1
  Al  Al21  1  0.547959  0.520074  0.415071  1
  Al  Al22  1  0.617820  0.892366  0.389937  1
  Al  Al23  1  0.344754  0.833828  0.436661  1
  Al  Al24  1  0.369017  0.089602  0.437298  1
  Al  Al25  1  0.789223  0.755957  0.410721  1
  Al  Al26  1  0.738399  0.144111  0.376637  1
  Al  Al27  1  0.922579  0.867359  0.456422  1
  Al  Al28  1  0.178196  0.181100  0.413790  1
  Al  Al29  1  1.004128  0.699719  0.411913  1
  Al  Al30  1  0.101324  0.076303  0.367811  1
  Al  Al31  1  0.041182  0.548909  0.372959  1
  Al  Al32  1  0.951886  0.363964  0.449701  1
  Al  Al33  1  0.955159  0.199093  0.400644  1
  Al  Al34  1  0.789455  0.993879  0.423763  1
  Al  Al35  1  0.124874  0.610619  0.446871  1
  Al  Al36  1  0.205263  0.941343  0.403216  1
  Al  Al37  1  0.653990  0.364425  0.386888  1
  Al  Al38  1  0.574334  0.009410  0.432668  1
  Al  Al39  1  0.344715  0.579962  0.442012  1
  Al  Al40  1  0.391124  0.873476  0.384852  1
  Al  Al41  1  0.297055  0.716576  0.484133  1
  Al  Al42  1  0.404780  0.231465  0.487679  1
  Al  Al43  1  0.049754  0.114439  0.532411  1
  Al  Al44  1  0.140554  0.476705  0.488066  1
  Al  Al45  1  0.462274  0.054466  0.516310  1
  Al  Al46  1  0.559651  0.448452  0.468112  1
  Al  Al47  1  0.832659  0.083067  0.543407  1
  Al  Al48  1  0.931344  0.504983  0.500259  1
  Al  Al49  1  0.664144  0.020601  0.507427  1
  Al  Al50  1  0.753633  0.379304  0.466731  1
  Al  Al51  1  0.875888  0.995880  0.495074  1
  Al  Al52  1  0.744158  0.612955  0.540784  1
  Al  Al53  1  0.715223  0.671209  0.458692  1
  Al  Al54  1  0.632247  0.331056  0.510658  1
  Al  Al55  1  0.109843  0.964974  0.563675  1
  Al  Al56  1  0.025799  0.233020  0.489824  1
  Al  Al57  1  0.509309  0.667112  0.482383  1
  Al  Al58  1  0.238063  0.324369  0.523098  1
  Al  Al59  1  0.229504  0.850535  0.522547  1
  Al  Al60  1  0.182953  0.124698  0.468585  1
  Al  Al61  1  0.116413  0.110585  0.610977  1
  Al  Al62  1  0.201308  0.477006  0.562397  1
  Al  Al63  1  0.883272  0.367029  0.639779  1
  Al  Al64  1  0.921464  0.747431  0.578152  1
  Al  Al65  1  0.251831  0.382946  0.604985  1
  Al  Al66  1  0.334485  0.734586  0.555447  1
  Al  Al67  1  0.645500  0.446879  0.626791  1
  Al  Al68  1  0.725806  0.818183  0.574280  1
  Al  Al69  1  0.453225  0.329648  0.597055  1
  Al  Al70  1  0.543539  0.673037  0.546631  1
  Al  Al71  1  0.658601  0.176553  0.548245  1
  Al  Al72  1  0.567846  0.986551  0.622573  1
  Al  Al73  1  0.547338  0.918195  0.563695  1
  Al  Al74  1  0.415766  0.631735  0.591765  1
  Al  Al75  1  0.706553  0.250553  0.609439  1
  Al  Al76  1  0.807168  0.493972  0.591072  1
  Al  Al77  1  0.338718  -0.000383  0.560020  1
  Al  Al78  1  0.212176  0.637360  0.607909  1
  Al  Al79  1  0.919640  0.173664  0.614709  1
  Al  Al80  1  1.002962  0.534953  0.566187  1
  Al  Al81  1  0.906623  0.444133  0.692734  1
  Al  Al82  1  0.998923  0.647043  0.619227  1
  Al  Al83  1  0.811230  0.993868  0.695485  1
  Al  Al84  1  0.757189  0.114385  0.652416  1
  Al  Al85  1  0.018288  0.720262  0.678929  1
  Al  Al86  1  0.144372  0.978373  0.655226  1
  Al  Al87  1  0.451509  0.639280  0.681621  1
  Al  Al88  1  0.553106  0.084038  0.674482  1
  Al  Al89  1  0.225098  0.650127  0.694361  1
  Al  Al90  1  0.359908  0.982895  0.644919  1
  Al  Al91  1  0.451333  0.511734  0.633546  1
  Al  Al92  1  0.359385  0.157608  0.686235  1
  Al  Al93  1  0.305489  0.241246  0.642330  1
  Al  Al94  1  0.226290  0.904681  0.698017  1
  Al  Al95  1  0.505987  0.482403  0.712700  1
  Al  Al96  1  0.624716  0.861065  0.662755  1
  Al  Al97  1  0.103678  0.305838  0.645331  1
  Al  Al98  1  0.011916  0.946659  0.699880  1
  Al  Al99  1  0.722637  0.522687  0.697476  1
  Al  Al100  1  0.842316  0.807312  0.664897  1
  Cu  Cu101  1  0.309121  0.117628  0.316229  1
  Cu  Cu102  1  0.179988  0.665356  0.325607  1
  Cu  Cu103  1  0.932195  0.188531  0.349801  1
  Cu  Cu104  1  0.037837  0.587779  0.288930  1
  Cu  Cu105  1  0.505932  0.099625  0.307139  1
  Cu  Cu106  1  0.473033  0.748023  0.349547  1
  Cu  Cu107  1  0.664433  0.322176  0.311330  1
  Cu  Cu108  1  0.543580  0.010469  0.350701  1
  Cu  Cu109  1  0.880608  0.374458  0.301706  1
  Cu  Cu110  1  0.694238  0.901731  0.343684  1
  Cu  Cu111  1  0.668384  0.493779  0.343876  1
  Cu  Cu112  1  0.773003  0.892429  0.299614  1
  Cu  Cu113  1  0.473719  0.377278  0.315077  1
  Cu  Cu114  1  0.320123  0.049110  0.362511  1
  Cu  Cu115  1  0.108536  0.385510  0.286396  1
  Cu  Cu116  1  0.941437  0.985750  0.330265  1
  Cu  Cu117  1  0.123838  0.214145  0.324346  1
  Cu  Cu118  1  0.261080  0.623312  0.285688  1
  Cu  Cu119  1  0.302179  0.271977  0.350557  1
  Cu  Cu120  1  0.179619  0.786074  0.365452  1
  Cu  Cu121  1  0.135390  0.325841  0.370417  1
  Cu  Cu122  1  0.997939  0.956622  0.411739  1
  Cu  Cu123  1  0.757334  0.508456  0.424900  1
  Cu  Cu124  1  0.855593  0.961641  0.375746  1
  Cu  Cu125  1  0.302894  0.431855  0.401703  1
  Cu  Cu126  1  0.133908  0.874377  0.448754  1
  Cu  Cu127  1  0.438902  0.666965  0.395936  1
  Cu  Cu128  1  0.369245  0.330852  0.440766  1
  Cu  Cu129  1  0.644368  0.681950  0.372966  1
  Cu  Cu130  1  0.565408  0.286931  0.432426  1
  Cu  Cu131  1  0.560971  0.759226  0.433836  1
  Cu  Cu132  1  0.522611  0.113299  0.394017  1
  Cu  Cu133  1  0.223713  0.670845  0.403940  1
  Cu  Cu134  1  0.168090  0.345937  0.448612  1
  Cu  Cu135  1  0.826729  0.590842  0.377897  1
  Cu  Cu136  1  0.741563  0.227798  0.423888  1
  Cu  Cu137  1  0.885016  0.409911  0.402016  1
  Cu  Cu138  1  0.982736  0.819716  0.370442  1
  Cu  Cu139  1  0.102282  0.434596  0.410814  1
  Cu  Cu140  1  0.986596  0.122758  0.446388  1
  Cu  Cu141  1  0.914990  0.618023  0.456400  1
  Cu  Cu142  1  0.822496  0.253176  0.506660  1
  Cu  Cu143  1  0.471868  0.820425  0.517658  1
  Cu  Cu144  1  0.578928  0.155742  0.472237  1
  Cu  Cu145  1  0.083294  0.726337  0.486907  1
  Cu  Cu146  1  0.009600  0.350488  0.533368  1
  Cu  Cu147  1  0.299781  0.964650  0.479981  1
  Cu  Cu148  1  0.141445  0.604346  0.527025  1
  Cu  Cu149  1  0.490815  0.908933  0.474573  1
  Cu  Cu150  1  0.342863  0.573083  0.520168  1
  Cu  Cu151  1  0.248585  0.091751  0.520160  1
  Cu  Cu152  1  0.337140  0.431471  0.481497  1
  Cu  Cu153  1  0.061746  0.929285  0.500428  1
  Cu  Cu154  1  0.997996  0.718569  0.532744  1
  Cu  Cu155  1  0.691780  0.892505  0.467055  1
  Cu  Cu156  1  0.504581  0.471399  0.516600  1
  Cu  Cu157  1  0.692191  0.792572  0.511967  1
  Cu  Cu158  1  0.787452  0.138586  0.464722  1
  Cu  Cu159  1  0.860638  0.717733  0.497512  1
  Cu  Cu160  1  0.816235  0.418114  0.540820  1
  Cu  Cu161  1  0.889928  0.872548  0.537151  1
  Cu  Cu162  1  0.609424  0.572419  0.586998  1
  Cu  Cu163  1  0.319427  0.091588  0.604226  1
  Cu  Cu164  1  0.403550  0.443714  0.559085  1
  Cu  Cu165  1  0.926396  -0.001188  0.582187  1
  Cu  Cu166  1  0.778034  0.692382  0.618058  1
  Cu  Cu167  1  0.057845  0.242133  0.573867  1
  Cu  Cu168  1  0.970754  0.876458  0.622232  1
  Cu  Cu169  1  0.252787  0.209412  0.567598  1
  Cu  Cu170  1  0.168502  0.875165  0.610712  1
  Cu  Cu171  1  0.043070  0.419173  0.605318  1
  Cu  Cu172  1  0.150009  0.758731  0.570365  1
  Cu  Cu173  1  0.868669  0.286551  0.574034  1
  Cu  Cu174  1  0.787624  0.929762  0.623722  1
  Cu  Cu175  1  0.436539  0.245348  0.541710  1
  Cu  Cu176  1  0.370410  0.871296  0.599022  1
  Cu  Cu177  1  0.518062  0.130126  0.586024  1
  Cu  Cu178  1  0.618364  0.383222  0.562745  1
  Cu  Cu179  1  0.732097  0.052897  0.587899  1
  Cu  Cu180  1  0.597558  0.752694  0.617364  1
  Cu  Cu181  1  0.511126  0.206486  0.635203  1
  Cu  Cu182  1  0.406452  0.851300  0.681904  1
  Cu  Cu183  1  0.124603  0.406654  0.691916  1
  Cu  Cu184  1  0.207415  0.758660  0.650853  1
  Cu  Cu185  1  0.697229  0.323401  0.665945  1
  Cu  Cu186  1  0.592788  0.926302  0.709386  1
  Cu  Cu187  1  0.834436  0.566805  0.653904  1
  Cu  Cu188  1  0.740925  0.193099  0.702411  1
  Cu  Cu189  1  0.065246  0.531196  0.656420  1
  Cu  Cu190  1  0.939575  0.231977  0.680422  1
  Cu  Cu191  1  0.671480  0.736595  0.702672  1
  Cu  Cu192  1  0.962693  0.052386  0.654272  1
  Cu  Cu193  1  0.641611  0.625617  0.658878  1
  Cu  Cu194  1  0.571813  0.275774  0.707557  1
  Cu  Cu195  1  0.264266  0.536797  0.650447  1
  Cu  Cu196  1  0.141412  0.177720  0.683953  1
  Cu  Cu197  1  0.319399  0.391232  0.681531  1
  Cu  Cu198  1  0.410896  0.754084  0.638063  1
  Cu  Cu199  1  0.516497  0.381844  0.668710  1
  Cu  Cu200  1  0.443368  0.029622  0.717662  1
