# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28469367
_cell_length_b   28.25238643
_cell_length_c   53.44234092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al100 Cu100'
_cell_volume   6469.34614846
_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  -0.010384  0.851390  0.290125  1
  Al  Al2  1  -0.010384  0.456514  0.376755  1
  Al  Al3  1  0.489616  0.859456  0.338623  1
  Al  Al4  1  0.489616  0.275270  0.303585  1
  Al  Al5  1  0.489616  0.040334  0.351828  1
  Al  Al6  1  0.489616  0.497624  0.307001  1
  Al  Al7  1  0.489616  0.758084  0.344601  1
  Al  Al8  1  0.489616  0.178872  0.305105  1
  Al  Al9  1  0.489616  0.134428  0.354161  1
  Al  Al10  1  0.489616  0.604802  0.304627  1
  Al  Al11  1  0.489616  0.085209  0.305468  1
  Al  Al12  1  0.489616  0.661124  0.346938  1
  Al  Al13  1  0.989616  0.032627  0.322272  1
  Al  Al14  1  0.989616  0.663295  0.378467  1
  Al  Al15  1  -0.010384  0.655574  0.291293  1
  Al  Al16  1  -0.010384  0.229139  0.326215  1
  Al  Al17  1  0.989616  0.927281  0.322312  1
  Al  Al18  1  -0.010384  0.557806  0.380332  1
  Al  Al19  1  0.989616  0.753465  0.289453  1
  Al  Al20  1  -0.010384  0.330487  0.323761  1
  Al  Al21  1  0.989616  0.032467  0.414877  1
  Al  Al22  1  -0.010384  0.580474  0.466860  1
  Al  Al23  1  0.489616  0.959172  0.438096  1
  Al  Al24  1  0.489616  0.397442  0.395064  1
  Al  Al25  1  0.489616  0.154465  0.440368  1
  Al  Al26  1  0.489616  0.611482  0.393368  1
  Al  Al27  1  0.489616  0.865534  0.428792  1
  Al  Al28  1  0.489616  0.294604  0.395945  1
  Al  Al29  1  0.489616  0.254592  0.441029  1
  Al  Al30  1  0.489616  0.715630  0.390710  1
  Al  Al31  1  0.489616  0.228396  0.353911  1
  Al  Al32  1  0.489616  0.816559  0.384220  1
  Al  Al33  1  -0.010384  0.233358  0.413428  1
  Al  Al34  1  -0.010384  0.789668  0.457824  1
  Al  Al35  1  -0.010384  0.875670  0.368947  1
  Al  Al36  1  -0.010384  0.423756  0.422681  1
  Al  Al37  1  0.989616  0.132686  0.413285  1
  Al  Al38  1  -0.010384  0.681098  0.463632  1
  Al  Al39  1  -0.010384  0.980867  0.368611  1
  Al  Al40  1  -0.010384  0.522187  0.426935  1
  Al  Al41  1  0.989616  0.160239  0.506954  1
  Al  Al42  1  0.989616  0.731236  0.508283  1
  Al  Al43  1  0.489616  0.114345  0.529511  1
  Al  Al44  1  0.489616  0.524635  0.478599  1
  Al  Al45  1  0.489616  0.381495  0.527259  1
  Al  Al46  1  0.489616  0.736495  0.475190  1
  Al  Al47  1  0.489616  0.018323  0.527994  1
  Al  Al48  1  0.489616  0.419045  0.482201  1
  Al  Al49  1  0.489616  0.480762  0.524953  1
  Al  Al50  1  0.489616  0.843749  0.476229  1
  Al  Al51  1  0.489616  0.354370  0.441303  1
  Al  Al52  1  0.489616  0.945080  0.487145  1
  Al  Al53  1  -0.010384  0.343985  0.507199  1
  Al  Al54  1  -0.010384  0.902497  0.548579  1
  Al  Al55  1  -0.010384  0.994188  0.463248  1
  Al  Al56  1  -0.010384  0.532579  0.510857  1
  Al  Al57  1  -0.010384  0.252320  0.505541  1
  Al  Al58  1  0.989616  0.800510  0.550206  1
  Al  Al59  1  -0.010384  0.094512  0.460703  1
  Al  Al60  1  0.989616  0.632956  0.509356  1
  Al  Al61  1  -0.010384  0.299815  0.551820  1
  Al  Al62  1  0.989616  0.905721  0.635680  1
  Al  Al63  1  0.489616  0.301440  0.613261  1
  Al  Al64  1  0.489616  0.739738  0.559407  1
  Al  Al65  1  0.489616  0.496881  0.611589  1
  Al  Al66  1  0.489616  0.951315  0.562904  1
  Al  Al67  1  0.489616  0.204594  0.613011  1
  Al  Al68  1  0.489616  0.636807  0.562357  1
  Al  Al69  1  0.489616  0.594662  0.609064  1
  Al  Al70  1  0.489616  0.054195  0.572988  1
  Al  Al71  1  0.489616  0.538539  0.565690  1
  Al  Al72  1  0.489616  0.104587  0.613726  1
  Al  Al73  1  -0.010384  0.446794  0.597941  1
  Al  Al74  1  0.989616  0.103832  0.644864  1
  Al  Al75  1  -0.010384  0.104910  0.558107  1
  Al  Al76  1  0.989616  0.741618  0.590728  1
  Al  Al77  1  0.989616  0.349943  0.597508  1
  Al  Al78  1  0.989616  1.001453  0.642412  1
  Al  Al79  1  0.989616  0.202618  0.555687  1
  Al  Al80  1  0.989616  0.853195  0.594037  1
  Al  Al81  1  0.989616  0.501162  0.642414  1
  Al  Al82  1  -0.010384  0.050757  0.687328  1
  Al  Al83  1  0.489616  0.500779  0.695920  1
  Al  Al84  1  0.489616  0.846265  0.642224  1
  Al  Al85  1  0.489616  0.704595  0.694751  1
  Al  Al86  1  0.489616  0.105300  0.698857  1
  Al  Al87  1  0.489616  0.399378  0.698887  1
  Al  Al88  1  0.489616  0.745411  0.646642  1
  Al  Al89  1  0.489616  0.800201  0.693278  1
  Al  Al90  1  0.489616  0.156267  0.657600  1
  Al  Al91  1  0.489616  0.691305  0.605080  1
  Al  Al92  1  0.489616  0.252715  0.657320  1
  Al  Al93  1  0.989616  0.652409  0.679804  1
  Al  Al94  1  -0.010384  0.303006  0.725594  1
  Al  Al95  1  -0.010384  0.302568  0.643123  1
  Al  Al96  1  0.989616  0.840822  0.671974  1
  Al  Al97  1  0.989616  0.553760  0.683974  1
  Al  Al98  1  0.989616  0.211970  0.727606  1
  Al  Al99  1  0.989616  0.400616  0.642683  1
  Al  Al100  1  0.989616  0.944041  0.684180  1
  Cu  Cu101  1  0.989616  0.130975  0.328878  1
  Cu  Cu102  1  0.989616  0.557360  0.295446  1
  Cu  Cu103  1  -0.010384  0.081618  0.370303  1
  Cu  Cu104  1  0.989616  0.518344  0.336925  1
  Cu  Cu105  1  0.989616  0.805432  0.332476  1
  Cu  Cu106  1  0.989616  0.219728  0.280355  1
  Cu  Cu107  1  0.489616  0.801214  0.301208  1
  Cu  Cu108  1  0.489616  0.402945  0.346957  1
  Cu  Cu109  1  0.489616  0.901715  0.296163  1
  Cu  Cu110  1  0.489616  0.485543  0.356332  1
  Cu  Cu111  1  0.489616  0.948710  0.347232  1
  Cu  Cu112  1  0.489616  0.368224  0.305269  1
  Cu  Cu113  1  0.489616  0.705624  0.303726  1
  Cu  Cu114  1  0.489616  0.318049  0.349897  1
  Cu  Cu115  1  0.489616  0.988360  0.306201  1
  Cu  Cu116  1  0.489616  0.568742  0.349367  1
  Cu  Cu117  1  0.989616  0.179642  0.370568  1
  Cu  Cu118  1  0.989616  0.610555  0.335836  1
  Cu  Cu119  1  -0.010384  0.708913  0.333195  1
  Cu  Cu120  1  0.989616  0.130775  0.284090  1
  Cu  Cu121  1  -0.010384  0.330470  0.415762  1
  Cu  Cu122  1  -0.010384  0.762758  0.375173  1
  Cu  Cu123  1  0.989616  0.195532  0.459947  1
  Cu  Cu124  1  0.989616  0.623894  0.423213  1
  Cu  Cu125  1  0.989616  0.932776  0.411459  1
  Cu  Cu126  1  0.989616  0.363382  0.370574  1
  Cu  Cu127  1  0.489616  0.999229  0.395112  1
  Cu  Cu128  1  0.489616  0.575756  0.437234  1
  Cu  Cu129  1  0.489616  0.090706  0.396512  1
  Cu  Cu130  1  0.489616  0.672293  0.434150  1
  Cu  Cu131  1  0.489616  0.056681  0.438899  1
  Cu  Cu132  1  0.489616  0.510409  0.399609  1
  Cu  Cu133  1  0.489616  0.912471  0.388516  1
  Cu  Cu134  1  0.489616  0.464922  0.439818  1
  Cu  Cu135  1  0.489616  0.188524  0.396743  1
  Cu  Cu136  1  0.489616  0.771525  0.429339  1
  Cu  Cu137  1  0.989616  0.291159  0.460134  1
  Cu  Cu138  1  0.989616  0.723437  0.419952  1
  Cu  Cu139  1  0.989616  0.822165  0.412485  1
  Cu  Cu140  1  0.989616  0.275523  0.369119  1
  Cu  Cu141  1  -0.010384  0.436063  0.511472  1
  Cu  Cu142  1  -0.010384  0.892808  0.453155  1
  Cu  Cu143  1  -0.010384  0.396809  0.554708  1
  Cu  Cu144  1  -0.010384  0.819777  0.503478  1
  Cu  Cu145  1  -0.010384  0.067425  0.508392  1
  Cu  Cu146  1  0.989616  0.472958  0.468410  1
  Cu  Cu147  1  0.489616  0.124745  0.483859  1
  Cu  Cu148  1  0.489616  0.683003  0.519070  1
  Cu  Cu149  1  0.489616  0.213972  0.483276  1
  Cu  Cu150  1  0.489616  0.785802  0.518641  1
  Cu  Cu151  1  0.489616  0.211565  0.528891  1
  Cu  Cu152  1  0.489616  0.631251  0.478162  1
  Cu  Cu153  1  0.489616  0.037633  0.483010  1
  Cu  Cu154  1  0.489616  0.583724  0.520789  1
  Cu  Cu155  1  0.489616  0.308171  0.485833  1
  Cu  Cu156  1  0.489616  0.876754  0.521883  1
  Cu  Cu157  1  0.989616  0.488590  0.554806  1
  Cu  Cu158  1  0.989616  0.900787  0.498089  1
  Cu  Cu159  1  0.989616  0.979527  0.513054  1
  Cu  Cu160  1  0.989616  0.380659  0.464458  1
  Cu  Cu161  1  0.989616  0.639878  0.593022  1
  Cu  Cu162  1  0.989616  1.009239  0.557334  1
  Cu  Cu163  1  -0.010384  0.545770  0.595872  1
  Cu  Cu164  1  -0.010384  0.957034  0.594945  1
  Cu  Cu165  1  0.989616  0.251351  0.598293  1
  Cu  Cu166  1  -0.010384  0.685241  0.550709  1
  Cu  Cu167  1  0.489616  0.254978  0.570221  1
  Cu  Cu168  1  0.489616  0.906714  0.604889  1
  Cu  Cu169  1  0.489616  0.347498  0.570539  1
  Cu  Cu170  1  0.489616  0.999147  0.611549  1
  Cu  Cu171  1  0.489616  0.398287  0.613324  1
  Cu  Cu172  1  0.489616  0.848515  0.565197  1
  Cu  Cu173  1  0.489616  0.158355  0.571872  1
  Cu  Cu174  1  0.489616  0.793567  0.601931  1
  Cu  Cu175  1  0.489616  0.439518  0.569230  1
  Cu  Cu176  1  0.489616  0.050742  0.654347  1
  Cu  Cu177  1  -0.010384  0.598680  0.638216  1
  Cu  Cu178  1  0.989616  0.051963  0.601722  1
  Cu  Cu179  1  -0.010384  0.154364  0.600550  1
  Cu  Cu180  1  -0.010384  0.586360  0.552178  1
  Cu  Cu181  1  0.989616  0.746067  0.673078  1
  Cu  Cu182  1  0.989616  0.204000  0.642338  1
  Cu  Cu183  1  -0.010384  0.772392  0.716292  1
  Cu  Cu184  1  -0.010384  0.160089  0.686630  1
  Cu  Cu185  1  -0.010384  0.448549  0.684497  1
  Cu  Cu186  1  -0.010384  0.791133  0.630844  1
  Cu  Cu187  1  0.489616  0.449237  0.655363  1
  Cu  Cu188  1  0.489616  0.995878  0.691014  1
  Cu  Cu189  1  0.489616  0.553187  0.653372  1
  Cu  Cu190  1  0.489616  0.207624  0.700335  1
  Cu  Cu191  1  0.489616  0.604550  0.692824  1
  Cu  Cu192  1  0.489616  0.948591  0.650949  1
  Cu  Cu193  1  0.489616  0.352967  0.656742  1
  Cu  Cu194  1  0.489616  0.892575  0.688496  1
  Cu  Cu195  1  0.489616  0.647980  0.650457  1
  Cu  Cu196  1  0.489616  0.302328  0.697830  1
  Cu  Cu197  1  0.989616  0.864579  0.715756  1
  Cu  Cu198  1  0.989616  0.253110  0.685027  1
  Cu  Cu199  1  0.989616  0.351039  0.684927  1
  Cu  Cu200  1  -0.010384  0.691320  0.634286  1
