# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.56145560
_cell_length_b   6.90404891
_cell_length_c   49.89198312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.63146821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al42 Cu126'
_cell_volume   4558.27292297
_cell_formula_units_Z   42
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  0.793059  0.761991  0.285704  1
  Al  Al2  1  0.477925  0.635624  0.309338  1
  Al  Al3  1  0.107451  0.907766  0.267311  1
  Al  Al4  1  0.002854  0.004424  0.331893  1
  Al  Al5  1  0.627939  0.276851  0.285417  1
  Al  Al6  1  0.312903  0.137598  0.308664  1
  Al  Al7  1  0.858462  0.365022  0.354116  1
  Al  Al8  1  0.548067  0.233612  0.376064  1
  Al  Al9  1  0.169377  0.500491  0.332209  1
  Al  Al10  1  0.069474  0.604484  0.398396  1
  Al  Al11  1  0.691106  0.871527  0.353918  1
  Al  Al12  1  0.381036  0.738446  0.376118  1
  Al  Al13  1  0.925748  0.966374  0.420939  1
  Al  Al14  1  0.614708  0.833514  0.443097  1
  Al  Al15  1  0.237312  0.100746  0.398729  1
  Al  Al16  1  0.136843  0.205397  0.465070  1
  Al  Al17  1  0.758657  0.471984  0.420454  1
  Al  Al18  1  0.447936  0.339003  0.442751  1
  Al  Al19  1  0.992763  0.567054  0.487655  1
  Al  Al20  1  0.681842  0.433855  0.509881  1
  Al  Al21  1  0.303866  0.700528  0.465433  1
  Al  Al22  1  0.203782  0.805623  0.531776  1
  Al  Al23  1  0.825806  0.072296  0.487328  1
  Al  Al24  1  0.514884  0.939098  0.509555  1
  Al  Al25  1  0.059712  0.167148  0.554458  1
  Al  Al26  1  0.748990  0.034167  0.576755  1
  Al  Al27  1  0.370805  0.300755  0.532139  1
  Al  Al28  1  0.270335  0.405406  0.598480  1
  Al  Al29  1  0.892940  0.672637  0.554113  1
  Al  Al30  1  0.581899  0.539777  0.576271  1
  Al  Al31  1  0.126612  0.767706  0.621091  1
  Al  Al32  1  0.816541  0.634625  0.643292  1
  Al  Al33  1  0.438173  0.901668  0.598814  1
  Al  Al34  1  0.338270  0.005660  0.665000  1
  Al  Al35  1  0.959580  0.272540  0.621145  1
  Al  Al36  1  0.649186  0.141129  0.643093  1
  Al  Al37  1  0.194744  0.368553  0.688546  1
  Al  Al38  1  0.879709  0.229300  0.711792  1
  Al  Al39  1  0.504794  0.501728  0.665316  1
  Al  Al40  1  0.400196  0.598385  0.729899  1
  Al  Al41  1  0.029722  0.870527  0.687871  1
  Al  Al42  1  0.714589  0.744161  0.711505  1
  Cu  Cu43  1  0.824546  0.065604  0.320444  1
  Cu  Cu44  1  0.447471  0.337252  0.276467  1
  Cu  Cu45  1  0.135586  0.206042  0.298441  1
  Cu  Cu46  1  0.971161  0.700021  0.299057  1
  Cu  Cu47  1  0.659216  0.568260  0.320818  1
  Cu  Cu48  1  0.281688  0.825442  0.278210  1
  Cu  Cu49  1  0.780917  0.123360  0.273004  1
  Cu  Cu50  1  0.465618  0.987195  0.292737  1
  Cu  Cu51  1  0.152818  0.850468  0.315992  1
  Cu  Cu52  1  0.810772  0.416998  0.304220  1
  Cu  Cu53  1  0.498825  0.284658  0.325704  1
  Cu  Cu54  1  0.118077  0.552064  0.282661  1
  Cu  Cu55  1  0.954667  0.059615  0.282340  1
  Cu  Cu56  1  0.643245  0.925148  0.303867  1
  Cu  Cu57  1  0.330111  0.788904  0.326575  1
  Cu  Cu58  1  0.984741  0.355419  0.314601  1
  Cu  Cu59  1  0.605132  0.631024  0.271877  1
  Cu  Cu60  1  0.295590  0.487635  0.292721  1
  Cu  Cu61  1  0.890845  0.671636  0.386447  1
  Cu  Cu62  1  0.513402  0.939634  0.341931  1
  Cu  Cu63  1  0.202182  0.805604  0.364789  1
  Cu  Cu64  1  0.037048  0.299132  0.365907  1
  Cu  Cu65  1  0.726016  0.166379  0.387998  1
  Cu  Cu66  1  0.348110  0.432083  0.343414  1
  Cu  Cu67  1  0.841258  0.716584  0.336941  1
  Cu  Cu68  1  0.530724  0.584245  0.359297  1
  Cu  Cu69  1  0.220274  0.451458  0.382064  1
  Cu  Cu70  1  0.875274  0.015507  0.370989  1
  Cu  Cu71  1  0.564331  0.883706  0.393038  1
  Cu  Cu72  1  0.187187  0.150657  0.348766  1
  Cu  Cu73  1  0.018605  0.652876  0.348347  1
  Cu  Cu74  1  0.708369  0.520633  0.370192  1
  Cu  Cu75  1  0.397820  0.387592  0.392624  1
  Cu  Cu76  1  0.053203  0.954554  0.381803  1
  Cu  Cu77  1  0.675175  0.223382  0.336391  1
  Cu  Cu78  1  0.364393  0.089299  0.359132  1
  Cu  Cu79  1  0.958298  0.272419  0.453329  1
  Cu  Cu80  1  0.580217  0.539022  0.408600  1
  Cu  Cu81  1  0.269480  0.406019  0.431122  1
  Cu  Cu82  1  0.104411  0.899724  0.432636  1
  Cu  Cu83  1  0.793216  0.766497  0.454880  1
  Cu  Cu84  1  0.415513  0.033612  0.410260  1
  Cu  Cu85  1  0.908852  0.317439  0.404215  1
  Cu  Cu86  1  0.598017  0.184821  0.426333  1
  Cu  Cu87  1  0.287284  0.051683  0.448737  1
  Cu  Cu88  1  0.942388  0.617029  0.437558  1
  Cu  Cu89  1  0.631573  0.483992  0.459748  1
  Cu  Cu90  1  0.253639  0.750692  0.415404  1
  Cu  Cu91  1  0.086558  0.253858  0.415020  1
  Cu  Cu92  1  0.775422  0.120902  0.437197  1
  Cu  Cu93  1  0.464585  0.987872  0.459448  1
  Cu  Cu94  1  0.120034  0.554978  0.448420  1
  Cu  Cu95  1  0.741846  0.821364  0.403911  1
  Cu  Cu96  1  0.431049  0.688492  0.426148  1
  Cu  Cu97  1  0.025318  0.872737  0.520092  1
  Cu  Cu98  1  0.647305  0.139310  0.475530  1
  Cu  Cu99  1  0.336391  0.006159  0.497842  1
  Cu  Cu100  1  0.171257  0.499993  0.499367  1
  Cu  Cu101  1  0.860342  0.366842  0.521679  1
  Cu  Cu102  1  0.482330  0.633414  0.477118  1
  Cu  Cu103  1  0.976090  0.918176  0.470976  1
  Cu  Cu104  1  0.665096  0.785005  0.493199  1
  Cu  Cu105  1  0.354097  0.651769  0.515471  1
  Cu  Cu106  1  0.009560  0.217461  0.504343  1
  Cu  Cu107  1  0.698648  0.084328  0.526601  1
  Cu  Cu108  1  0.320637  0.350838  0.482065  1
  Cu  Cu109  1  0.153550  0.854382  0.481738  1
  Cu  Cu110  1  0.842551  0.721147  0.504010  1
  Cu  Cu111  1  0.531557  0.587975  0.526233  1
  Cu  Cu112  1  0.187010  0.155313  0.515145  1
  Cu  Cu113  1  0.809000  0.421823  0.470608  1
  Cu  Cu114  1  0.498087  0.288690  0.492866  1
  Cu  Cu115  1  0.092134  0.472539  0.586949  1
  Cu  Cu116  1  0.714431  0.739654  0.542329  1
  Cu  Cu117  1  0.403237  0.606428  0.564573  1
  Cu  Cu118  1  0.238167  0.100132  0.566088  1
  Cu  Cu119  1  0.927430  0.967129  0.588610  1
  Cu  Cu120  1  0.549350  0.233732  0.543880  1
  Cu  Cu121  1  0.043063  0.518280  0.537761  1
  Cu  Cu122  1  0.732226  0.385249  0.560012  1
  Cu  Cu123  1  0.421090  0.252293  0.582189  1
  Cu  Cu124  1  0.076599  0.817659  0.571061  1
  Cu  Cu125  1  0.765801  0.684787  0.593298  1
  Cu  Cu126  1  0.387613  0.951173  0.548790  1
  Cu  Cu127  1  0.220364  0.454469  0.548473  1
  Cu  Cu128  1  0.909630  0.321330  0.570876  1
  Cu  Cu129  1  0.598796  0.188712  0.592994  1
  Cu  Cu130  1  0.254009  0.755459  0.581805  1
  Cu  Cu131  1  0.876074  0.022160  0.537461  1
  Cu  Cu132  1  0.565260  0.889122  0.559652  1
  Cu  Cu133  1  0.159537  0.074069  0.653795  1
  Cu  Cu134  1  0.781632  0.339772  0.609211  1
  Cu  Cu135  1  0.470600  0.207019  0.631302  1
  Cu  Cu136  1  0.305466  0.700547  0.632420  1
  Cu  Cu137  1  0.994245  0.566517  0.655278  1
  Cu  Cu138  1  0.616802  0.834515  0.610763  1
  Cu  Cu139  1  0.109827  0.118559  0.604585  1
  Cu  Cu140  1  0.799279  0.985519  0.627017  1
  Cu  Cu141  1  0.489042  0.853275  0.648862  1
  Cu  Cu142  1  0.143255  0.416852  0.638077  1
  Cu  Cu143  1  0.832472  0.282769  0.660819  1
  Cu  Cu144  1  0.454445  0.551597  0.615406  1
  Cu  Cu145  1  0.287374  0.054693  0.615145  1
  Cu  Cu146  1  0.976923  0.921906  0.637912  1
  Cu  Cu147  1  0.666389  0.789567  0.660268  1
  Cu  Cu148  1  0.320461  0.355494  0.648443  1
  Cu  Cu149  1  0.943316  0.622446  0.604171  1
  Cu  Cu150  1  0.632373  0.490644  0.626220  1
  Cu  Cu151  1  0.225960  0.680710  0.718999  1
  Cu  Cu152  1  0.848432  0.937892  0.676391  1
  Cu  Cu153  1  0.536486  0.806131  0.698152  1
  Cu  Cu154  1  0.372061  0.300110  0.698769  1
  Cu  Cu155  1  0.060177  0.168899  0.720742  1
  Cu  Cu156  1  0.683101  0.440547  0.676765  1
  Cu  Cu157  1  0.177536  0.717247  0.670634  1
  Cu  Cu158  1  0.864402  0.581004  0.693342  1
  Cu  Cu159  1  0.552981  0.446536  0.714869  1
  Cu  Cu160  1  0.212057  0.018516  0.704488  1
  Cu  Cu161  1  0.902515  0.875127  0.725332  1
  Cu  Cu162  1  0.522907  0.150732  0.682609  1
  Cu  Cu163  1  0.354829  0.655684  0.681217  1
  Cu  Cu164  1  0.042029  0.518956  0.704472  1
  Cu  Cu165  1  0.726730  0.382792  0.724206  1
  Cu  Cu166  1  0.389571  0.954087  0.714548  1
  Cu  Cu167  1  0.008822  0.221493  0.671505  1
  Cu  Cu168  1  0.696876  0.089153  0.692989  1
