# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80223646
_cell_length_b   20.60782738
_cell_length_c   50.32842458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.68184853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al100 Cu100'
_cell_volume   7054.50450325
_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  0.170661  0.377613  0.373087  1
  Al  Al2  1  0.204044  0.869972  0.311221  1
  Al  Al3  1  0.973668  0.532227  0.323855  1
  Al  Al4  1  0.798759  0.994973  0.335468  1
  Al  Al5  1  0.224529  0.311205  0.321732  1
  Al  Al6  1  0.228976  0.823651  0.362125  1
  Al  Al7  1  0.327797  0.521737  0.294092  1
  Al  Al8  1  0.093875  0.050472  0.374722  1
  Al  Al9  1  0.946741  0.217443  0.314597  1
  Al  Al10  1  0.936981  0.737889  0.357363  1
  Al  Al11  1  0.331005  0.184135  0.326472  1
  Al  Al12  1  0.327032  0.647930  0.285906  1
  Al  Al13  1  0.274168  0.257176  0.370632  1
  Al  Al14  1  0.275163  0.740552  0.320973  1
  Al  Al15  1  0.678204  0.637935  0.354055  1
  Al  Al16  1  0.677074  0.122676  0.322072  1
  Al  Al17  1  0.534966  0.361445  0.352948  1
  Al  Al18  1  0.584185  0.838779  0.304356  1
  Al  Al19  1  0.548092  0.499676  0.339994  1
  Al  Al20  1  0.510733  0.970101  0.299174  1
  Al  Al21  1  0.840873  0.485471  0.429331  1
  Al  Al22  1  0.838665  0.958798  0.389463  1
  Al  Al23  1  0.818781  0.512099  0.377065  1
  Al  Al24  1  0.769924  0.055514  0.435536  1
  Al  Al25  1  0.254578  0.328791  0.422552  1
  Al  Al26  1  0.202338  0.905970  0.403504  1
  Al  Al27  1  0.045185  0.615681  0.366518  1
  Al  Al28  1  0.303725  0.205826  0.422094  1
  Al  Al29  1  0.946446  0.266191  0.402968  1
  Al  Al30  1  0.996730  0.788080  0.446402  1
  Al  Al31  1  0.674035  0.177829  0.408263  1
  Al  Al32  1  0.341286  0.697895  0.371574  1
  Al  Al33  1  0.311787  0.260144  0.472476  1
  Al  Al34  1  0.311976  0.783445  0.413733  1
  Al  Al35  1  0.751878  0.611354  0.410843  1
  Al  Al36  1  0.715586  0.084157  0.373963  1
  Al  Al37  1  0.553443  0.401783  0.435320  1
  Al  Al38  1  0.573835  0.863073  0.390784  1
  Al  Al39  1  0.467693  0.531785  0.430598  1
  Al  Al40  1  0.446483  0.993938  0.384125  1
  Al  Al41  1  0.180178  0.488213  0.509338  1
  Al  Al42  1  0.996093  0.993571  0.473551  1
  Al  Al43  1  0.787789  0.567180  0.468188  1
  Al  Al44  1  0.848723  0.066911  0.547191  1
  Al  Al45  1  0.222977  0.401602  0.466780  1
  Al  Al46  1  0.284249  0.942998  0.512988  1
  Al  Al47  1  0.072538  0.655645  0.453871  1
  Al  Al48  1  0.065303  0.189160  0.501342  1
  Al  Al49  1  0.966459  0.314280  0.487515  1
  Al  Al50  1  0.029632  0.835276  0.533210  1
  Al  Al51  1  0.673146  0.232391  0.492657  1
  Al  Al52  1  0.701573  0.700690  0.448192  1
  Al  Al53  1  0.315417  0.355404  0.515707  1
  Al  Al54  1  0.277510  0.888453  0.455467  1
  Al  Al55  1  0.757770  0.665124  0.498875  1
  Al  Al56  1  0.803539  0.102474  0.487689  1
  Al  Al57  1  0.619832  0.447535  0.525179  1
  Al  Al58  1  0.635405  0.918436  0.479568  1
  Al  Al59  1  0.498595  0.569497  0.515163  1
  Al  Al60  1  0.401799  0.024780  0.466985  1
  Al  Al61  1  0.226574  0.525453  0.597508  1
  Al  Al62  1  0.192462  0.013011  0.558717  1
  Al  Al63  1  0.840399  0.600023  0.543890  1
  Al  Al64  1  0.812110  0.149379  0.590412  1
  Al  Al65  1  0.014009  0.365384  0.575120  1
  Al  Al66  1  0.250498  0.972221  0.608258  1
  Al  Al67  1  0.100625  0.697214  0.542364  1
  Al  Al68  1  0.100698  0.237351  0.586903  1
  Al  Al69  1  0.727436  0.280974  0.583935  1
  Al  Al70  1  0.985276  0.872990  0.617323  1
  Al  Al71  1  0.376803  0.317807  0.566656  1
  Al  Al72  1  0.350617  0.823322  0.500837  1
  Al  Al73  1  0.326133  0.401828  0.607107  1
  Al  Al74  1  0.314856  0.888270  0.566685  1
  Al  Al75  1  0.740893  0.748451  0.537835  1
  Al  Al76  1  0.750426  0.192165  0.540736  1
  Al  Al77  1  0.562514  0.529264  0.568078  1
  Al  Al78  1  0.596909  0.971044  0.558326  1
  Al  Al79  1  0.481991  0.655306  0.556681  1
  Al  Al80  1  0.465159  0.099455  0.545959  1
  Al  Al81  1  0.823767  0.655554  0.638778  1
  Al  Al82  1  0.835199  0.106023  0.639230  1
  Al  Al83  1  0.800719  0.696122  0.586763  1
  Al  Al84  1  0.763694  0.182949  0.683775  1
  Al  Al85  1  0.255320  0.486416  0.647789  1
  Al  Al86  1  0.189061  0.059104  0.647541  1
  Al  Al87  1  0.110901  0.743343  0.625834  1
  Al  Al88  1  0.052349  0.273566  0.674294  1
  Al  Al89  1  0.964594  0.405573  0.661958  1
  Al  Al90  1  0.908440  0.927410  0.690080  1
  Al  Al91  1  0.682673  0.318648  0.676222  1
  Al  Al92  1  0.372303  0.846790  0.617073  1
  Al  Al93  1  0.338075  0.355958  0.657530  1
  Al  Al94  1  0.247176  0.928354  0.660840  1
  Al  Al95  1  0.714652  0.782195  0.627526  1
  Al  Al96  1  0.754272  0.237704  0.634667  1
  Al  Al97  1  0.536708  0.573713  0.657955  1
  Al  Al98  1  0.551445  0.013165  0.641544  1
  Al  Al99  1  0.450909  0.698286  0.647758  1
  Al  Al100  1  0.468792  0.145669  0.628954  1
  Cu  Cu101  1  0.055217  0.096172  0.327232  1
  Cu  Cu102  1  0.981696  0.656563  0.315696  1
  Cu  Cu103  1  0.890587  0.300135  0.353641  1
  Cu  Cu104  1  0.918999  0.783887  0.310577  1
  Cu  Cu105  1  0.187376  0.499722  0.366824  1
  Cu  Cu106  1  0.135267  0.991136  0.307360  1
  Cu  Cu107  1  0.230613  0.432890  0.326313  1
  Cu  Cu108  1  0.148029  0.944094  0.352933  1
  Cu  Cu109  1  0.870939  0.417272  0.340716  1
  Cu  Cu110  1  0.857784  0.867775  0.348228  1
  Cu  Cu111  1  0.565185  0.404389  0.305961  1
  Cu  Cu112  1  0.500766  0.912780  0.344765  1
  Cu  Cu113  1  0.653115  0.587591  0.304853  1
  Cu  Cu114  1  0.395199  0.043629  0.339138  1
  Cu  Cu115  1  0.609526  0.277759  0.316776  1
  Cu  Cu116  1  0.588471  0.782576  0.350671  1
  Cu  Cu117  1  0.633715  0.215024  0.359281  1
  Cu  Cu118  1  0.631571  0.706628  0.311610  1
  Cu  Cu119  1  0.328584  0.605345  0.333391  1
  Cu  Cu120  1  0.352896  0.086510  0.293723  1
  Cu  Cu121  1  0.985726  0.175823  0.364120  1
  Cu  Cu122  1  0.025655  0.700926  0.406162  1
  Cu  Cu123  1  0.907644  0.358980  0.440251  1
  Cu  Cu124  1  0.922670  0.822555  0.397344  1
  Cu  Cu125  1  0.120187  0.572005  0.412926  1
  Cu  Cu126  1  0.026400  0.130000  0.411527  1
  Cu  Cu127  1  0.177882  0.450680  0.416122  1
  Cu  Cu128  1  0.125569  0.011717  0.425993  1
  Cu  Cu129  1  0.826953  0.390587  0.392265  1
  Cu  Cu130  1  0.894635  0.910089  0.436976  1
  Cu  Cu131  1  0.491660  0.449390  0.388904  1
  Cu  Cu132  1  0.547513  0.951866  0.429457  1
  Cu  Cu133  1  0.434606  0.575247  0.382928  1
  Cu  Cu134  1  0.408667  0.082519  0.419307  1
  Cu  Cu135  1  0.578130  0.302085  0.396609  1
  Cu  Cu136  1  0.620823  0.826386  0.440423  1
  Cu  Cu137  1  0.629972  0.276579  0.443838  1
  Cu  Cu138  1  0.661721  0.733980  0.397749  1
  Cu  Cu139  1  0.384617  0.659017  0.421187  1
  Cu  Cu140  1  0.360324  0.136224  0.375098  1
  Cu  Cu141  1  0.934391  0.210494  0.450971  1
  Cu  Cu142  1  0.054441  0.742884  0.494219  1
  Cu  Cu143  1  0.961348  0.397141  0.526374  1
  Cu  Cu144  1  0.978692  0.869328  0.486026  1
  Cu  Cu145  1  0.118957  0.612105  0.501956  1
  Cu  Cu146  1  0.158188  0.116105  0.459034  1
  Cu  Cu147  1  0.153201  0.527758  0.460441  1
  Cu  Cu148  1  0.145554  0.063430  0.511273  1
  Cu  Cu149  1  0.868866  0.444943  0.480116  1
  Cu  Cu150  1  0.905841  0.957990  0.521921  1
  Cu  Cu151  1  0.504432  0.481937  0.477442  1
  Cu  Cu152  1  0.589656  0.018406  0.510879  1
  Cu  Cu153  1  0.423667  0.617683  0.468971  1
  Cu  Cu154  1  0.419548  0.134426  0.498279  1
  Cu  Cu155  1  0.605723  0.358361  0.483219  1
  Cu  Cu156  1  0.643051  0.870288  0.529124  1
  Cu  Cu157  1  0.679848  0.319822  0.532911  1
  Cu  Cu158  1  0.698779  0.788498  0.487691  1
  Cu  Cu159  1  0.360291  0.743549  0.461764  1
  Cu  Cu160  1  0.553565  0.154203  0.454880  1
  Cu  Cu161  1  0.038822  0.277503  0.538017  1
  Cu  Cu162  1  0.069054  0.789112  0.579649  1
  Cu  Cu163  1  0.939111  0.446505  0.611615  1
  Cu  Cu164  1  0.933525  0.918271  0.569980  1
  Cu  Cu165  1  0.160876  0.650777  0.589275  1
  Cu  Cu166  1  0.128487  0.152500  0.549974  1
  Cu  Cu167  1  0.203712  0.569213  0.549668  1
  Cu  Cu168  1  0.180670  0.105574  0.596715  1
  Cu  Cu169  1  0.935388  0.485483  0.561446  1
  Cu  Cu170  1  0.895044  0.022317  0.597389  1
  Cu  Cu171  1  0.291914  0.442996  0.555654  1
  Cu  Cu172  1  0.533649  0.058151  0.593479  1
  Cu  Cu173  1  0.398897  0.698198  0.508179  1
  Cu  Cu174  1  0.448231  0.190564  0.579840  1
  Cu  Cu175  1  0.651910  0.407886  0.576102  1
  Cu  Cu176  1  0.649385  0.930002  0.606041  1
  Cu  Cu177  1  0.676632  0.364503  0.625006  1
  Cu  Cu178  1  0.680774  0.827469  0.578033  1
  Cu  Cu179  1  0.386349  0.778381  0.549010  1
  Cu  Cu180  1  0.385276  0.230407  0.529466  1
  Cu  Cu181  1  0.038255  0.321719  0.624539  1
  Cu  Cu182  1  0.970657  0.821351  0.664441  1
  Cu  Cu183  1  0.890004  0.530562  0.646350  1
  Cu  Cu184  1  0.904678  0.974447  0.643484  1
  Cu  Cu185  1  0.103336  0.702544  0.672523  1
  Cu  Cu186  1  0.120117  0.193786  0.634430  1
  Cu  Cu187  1  0.180714  0.610926  0.636374  1
  Cu  Cu188  1  0.130788  0.147741  0.681148  1
  Cu  Cu189  1  0.868281  0.571208  0.598113  1
  Cu  Cu190  1  0.854979  0.051754  0.683922  1
  Cu  Cu191  1  0.511128  0.615246  0.607714  1
  Cu  Cu192  1  0.486143  0.099090  0.678419  1
  Cu  Cu193  1  0.429675  0.735879  0.595481  1
  Cu  Cu194  1  0.411625  0.226574  0.666703  1
  Cu  Cu195  1  0.597767  0.492181  0.616614  1
  Cu  Cu196  1  0.556061  0.976295  0.689154  1
  Cu  Cu197  1  0.612146  0.447000  0.662329  1
  Cu  Cu198  1  0.639201  0.888083  0.654659  1
  Cu  Cu199  1  0.340113  0.807368  0.665576  1
  Cu  Cu200  1  0.399740  0.274427  0.618282  1
