# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99547819
_cell_length_b   11.27627816
_cell_length_c   47.30905950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.76090066
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al48 Cu144'
_cell_volume   5263.11273522
_cell_formula_units_Z   48
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  0.964166  0.223706  0.338315  1
  Al  Al2  1  0.464166  0.723706  0.338315  1
  Al  Al3  1  0.544644  0.287585  0.298110  1
  Al  Al4  1  0.044644  0.787585  0.298110  1
  Al  Al5  1  0.223496  0.037960  0.291590  1
  Al  Al6  1  0.723496  0.537960  0.291590  1
  Al  Al7  1  0.641767  0.983846  0.332228  1
  Al  Al8  1  0.141767  0.483846  0.332228  1
  Al  Al9  1  0.806271  0.103827  0.415219  1
  Al  Al10  1  0.306271  0.603827  0.415219  1
  Al  Al11  1  0.385509  0.163797  0.376537  1
  Al  Al12  1  0.885509  0.663797  0.376537  1
  Al  Al13  1  0.062170  0.924679  0.369989  1
  Al  Al14  1  0.562170  0.424679  0.369989  1
  Al  Al15  1  0.482621  0.864657  0.408437  1
  Al  Al16  1  0.982621  0.364657  0.408437  1
  Al  Al17  1  0.646771  0.984284  0.492171  1
  Al  Al18  1  0.146771  0.484284  0.492171  1
  Al  Al19  1  0.226443  0.044027  0.453621  1
  Al  Al20  1  0.726443  0.544027  0.453621  1
  Al  Al21  1  0.903223  0.804981  0.446941  1
  Al  Al22  1  0.403223  0.304981  0.446941  1
  Al  Al23  1  0.323531  0.744959  0.485482  1
  Al  Al24  1  0.823531  0.244959  0.485482  1
  Al  Al25  1  0.487351  0.864830  0.569176  1
  Al  Al26  1  0.987351  0.364830  0.569176  1
  Al  Al27  1  0.066958  0.924432  0.530694  1
  Al  Al28  1  0.566958  0.424432  0.530694  1
  Al  Al29  1  0.743856  0.685211  0.524022  1
  Al  Al30  1  0.243856  0.185211  0.524022  1
  Al  Al31  1  0.163920  0.625378  0.562489  1
  Al  Al32  1  0.663920  0.125378  0.562489  1
  Al  Al33  1  0.328197  0.745260  0.645703  1
  Al  Al34  1  0.828197  0.245260  0.645703  1
  Al  Al35  1  0.907230  0.804894  0.607753  1
  Al  Al36  1  0.407230  0.304894  0.607753  1
  Al  Al37  1  0.584196  0.565800  0.601142  1
  Al  Al38  1  0.084196  0.065800  0.601142  1
  Al  Al39  1  0.004737  0.506407  0.639475  1
  Al  Al40  1  0.504737  0.006407  0.639475  1
  Al  Al41  1  0.175377  0.626472  0.721885  1
  Al  Al42  1  0.675377  0.126472  0.721885  1
  Al  Al43  1  0.750896  0.682716  0.685368  1
  Al  Al44  1  0.250896  0.182716  0.685368  1
  Al  Al45  1  0.423254  0.447754  0.678896  1
  Al  Al46  1  0.923254  0.947754  0.678896  1
  Al  Al47  1  0.846299  0.389932  0.716737  1
  Al  Al48  1  0.346299  0.889932  0.716737  1
  Cu  Cu49  1  1.000228  0.003373  0.318623  1
  Cu  Cu50  1  0.500228  0.503373  0.318623  1
  Cu  Cu51  1  0.578319  0.063932  0.281418  1
  Cu  Cu52  1  0.078319  0.563932  0.281418  1
  Cu  Cu53  1  0.185810  0.263175  0.312600  1
  Cu  Cu54  1  0.685810  0.763175  0.312600  1
  Cu  Cu55  1  0.775558  0.313534  0.275964  1
  Cu  Cu56  1  0.275558  0.813534  0.275964  1
  Cu  Cu57  1  0.308303  0.425627  0.290262  1
  Cu  Cu58  1  0.808303  0.925627  0.290262  1
  Cu  Cu59  1  0.735363  0.363581  0.328606  1
  Cu  Cu60  1  0.235363  0.863581  0.328606  1
  Cu  Cu61  1  0.349492  0.205447  0.272968  1
  Cu  Cu62  1  0.849492  0.705447  0.272968  1
  Cu  Cu63  1  0.774238  0.141273  0.309296  1
  Cu  Cu64  1  0.274238  0.641273  0.309296  1
  Cu  Cu65  1  0.956360  0.403098  0.302366  1
  Cu  Cu66  1  0.456360  0.903098  0.302366  1
  Cu  Cu67  1  0.373079  0.343491  0.340626  1
  Cu  Cu68  1  0.873079  0.843491  0.340626  1
  Cu  Cu69  1  0.996559  0.181898  0.284731  1
  Cu  Cu70  1  0.496559  0.681898  0.284731  1
  Cu  Cu71  1  0.411497  0.124669  0.322075  1
  Cu  Cu72  1  0.911497  0.624669  0.322075  1
  Cu  Cu73  1  0.839868  0.884581  0.395277  1
  Cu  Cu74  1  0.339868  0.384581  0.395277  1
  Cu  Cu75  1  0.419157  0.944275  0.356899  1
  Cu  Cu76  1  0.919157  0.444275  0.356899  1
  Cu  Cu77  1  0.028559  0.143733  0.389662  1
  Cu  Cu78  1  0.528559  0.643733  0.389662  1
  Cu  Cu79  1  0.606977  0.204869  0.350553  1
  Cu  Cu80  1  0.106977  0.704869  0.350553  1
  Cu  Cu81  1  0.155367  0.303266  0.367017  1
  Cu  Cu82  1  0.655367  0.803266  0.367017  1
  Cu  Cu83  1  0.575391  0.244166  0.405395  1
  Cu  Cu84  1  0.075391  0.744166  0.405395  1
  Cu  Cu85  1  0.195048  0.083144  0.347003  1
  Cu  Cu86  1  0.695048  0.583144  0.347003  1
  Cu  Cu87  1  0.615205  0.024302  0.386390  1
  Cu  Cu88  1  0.115205  0.524302  0.386390  1
  Cu  Cu89  1  0.792114  0.283999  0.379689  1
  Cu  Cu90  1  0.292114  0.783999  0.379689  1
  Cu  Cu91  1  0.213331  0.224407  0.418120  1
  Cu  Cu92  1  0.713331  0.724407  0.418120  1
  Cu  Cu93  1  0.832136  0.064718  0.360511  1
  Cu  Cu94  1  0.332136  0.564718  0.360511  1
  Cu  Cu95  1  0.252700  0.005004  0.398756  1
  Cu  Cu96  1  0.752700  0.505004  0.398756  1
  Cu  Cu97  1  0.681010  0.764900  0.472443  1
  Cu  Cu98  1  0.181010  0.264900  0.472443  1
  Cu  Cu99  1  0.260450  0.824788  0.433905  1
  Cu  Cu100  1  0.760450  0.324788  0.433905  1
  Cu  Cu101  1  0.869134  0.024172  0.466753  1
  Cu  Cu102  1  0.369134  0.524172  0.466753  1
  Cu  Cu103  1  0.448448  0.084085  0.428204  1
  Cu  Cu104  1  0.948448  0.584085  0.428204  1
  Cu  Cu105  1  0.996059  0.184487  0.444026  1
  Cu  Cu106  1  0.496059  0.684487  0.444026  1
  Cu  Cu107  1  0.416244  0.124643  0.482509  1
  Cu  Cu108  1  0.916244  0.624643  0.482509  1
  Cu  Cu109  1  0.036048  0.963796  0.424692  1
  Cu  Cu110  1  0.536048  0.463796  0.424692  1
  Cu  Cu111  1  0.456390  0.904001  0.463215  1
  Cu  Cu112  1  0.956390  0.404001  0.463215  1
  Cu  Cu113  1  0.633574  0.164501  0.456585  1
  Cu  Cu114  1  0.133574  0.664501  0.456585  1
  Cu  Cu115  1  0.054080  0.104651  0.495132  1
  Cu  Cu116  1  0.554080  0.604651  0.495132  1
  Cu  Cu117  1  0.673191  0.944863  0.437433  1
  Cu  Cu118  1  0.173191  0.444863  0.437433  1
  Cu  Cu119  1  0.093638  0.885056  0.475939  1
  Cu  Cu120  1  0.593638  0.385056  0.475939  1
  Cu  Cu121  1  0.521583  0.645266  0.549454  1
  Cu  Cu122  1  0.021583  0.145266  0.549454  1
  Cu  Cu123  1  0.101177  0.705077  0.510928  1
  Cu  Cu124  1  0.601177  0.205077  0.510928  1
  Cu  Cu125  1  0.709708  0.904548  0.543767  1
  Cu  Cu126  1  0.209708  0.404548  0.543767  1
  Cu  Cu127  1  0.289330  0.964378  0.505217  1
  Cu  Cu128  1  0.789330  0.464378  0.505217  1
  Cu  Cu129  1  0.836604  0.064804  0.521077  1
  Cu  Cu130  1  0.336604  0.564804  0.521077  1
  Cu  Cu131  1  0.256630  0.005010  0.559561  1
  Cu  Cu132  1  0.756630  0.505010  0.559561  1
  Cu  Cu133  1  0.876658  0.844158  0.501732  1
  Cu  Cu134  1  0.376658  0.344158  0.501732  1
  Cu  Cu135  1  0.296861  0.784470  0.540220  1
  Cu  Cu136  1  0.796861  0.284470  0.540220  1
  Cu  Cu137  1  0.474192  0.044864  0.533621  1
  Cu  Cu138  1  0.974192  0.544864  0.533621  1
  Cu  Cu139  1  0.894575  0.985073  0.572225  1
  Cu  Cu140  1  0.394575  0.485073  0.572225  1
  Cu  Cu141  1  0.513926  0.825249  0.514440  1
  Cu  Cu142  1  0.013926  0.325249  0.514440  1
  Cu  Cu143  1  0.934170  0.765528  0.552981  1
  Cu  Cu144  1  0.434170  0.265528  0.552981  1
  Cu  Cu145  1  0.362282  0.525265  0.626727  1
  Cu  Cu146  1  0.862282  0.025265  0.626727  1
  Cu  Cu147  1  0.941526  0.585646  0.587962  1
  Cu  Cu148  1  0.441526  0.085646  0.587962  1
  Cu  Cu149  1  0.550735  0.785354  0.620678  1
  Cu  Cu150  1  0.050735  0.285354  0.620678  1
  Cu  Cu151  1  0.129789  0.844930  0.582342  1
  Cu  Cu152  1  0.629789  0.344930  0.582342  1
  Cu  Cu153  1  0.677332  0.945383  0.598164  1
  Cu  Cu154  1  0.177332  0.445383  0.598164  1
  Cu  Cu155  1  0.096477  0.886112  0.636837  1
  Cu  Cu156  1  0.596477  0.386112  0.636837  1
  Cu  Cu157  1  0.717198  0.724489  0.578788  1
  Cu  Cu158  1  0.217198  0.224489  0.578788  1
  Cu  Cu159  1  0.137381  0.665193  0.617160  1
  Cu  Cu160  1  0.637381  0.165193  0.617160  1
  Cu  Cu161  1  0.314580  0.925778  0.610646  1
  Cu  Cu162  1  0.814580  0.425778  0.610646  1
  Cu  Cu163  1  0.735629  0.865031  0.649570  1
  Cu  Cu164  1  0.235629  0.365031  0.649570  1
  Cu  Cu165  1  0.354525  0.705530  0.591311  1
  Cu  Cu166  1  0.854525  0.205530  0.591311  1
  Cu  Cu167  1  0.774633  0.646160  0.630244  1
  Cu  Cu168  1  0.274633  0.146160  0.630244  1
  Cu  Cu169  1  0.202958  0.405815  0.703744  1
  Cu  Cu170  1  0.702958  0.905815  0.703744  1
  Cu  Cu171  1  0.783600  0.465073  0.665081  1
  Cu  Cu172  1  0.283600  0.965073  0.665081  1
  Cu  Cu173  1  0.390584  0.669028  0.697023  1
  Cu  Cu174  1  0.890584  0.169028  0.697023  1
  Cu  Cu175  1  0.970537  0.726212  0.659329  1
  Cu  Cu176  1  0.470537  0.226212  0.659329  1
  Cu  Cu177  1  0.518212  0.826066  0.674670  1
  Cu  Cu178  1  0.018212  0.326066  0.674670  1
  Cu  Cu179  1  0.942690  0.764639  0.712919  1
  Cu  Cu180  1  0.442690  0.264639  0.712919  1
  Cu  Cu181  1  0.558784  0.605017  0.655941  1
  Cu  Cu182  1  0.058784  0.105017  0.655941  1
  Cu  Cu183  1  0.981687  0.544358  0.694397  1
  Cu  Cu184  1  0.481687  0.044358  0.694397  1
  Cu  Cu185  1  0.157505  0.806448  0.687457  1
  Cu  Cu186  1  0.657505  0.306448  0.687457  1
  Cu  Cu187  1  0.575008  0.747360  0.724347  1
  Cu  Cu188  1  0.075008  0.247360  0.724347  1
  Cu  Cu189  1  0.194458  0.586952  0.668227  1
  Cu  Cu190  1  0.694458  0.086952  0.668227  1
  Cu  Cu191  1  0.614089  0.525563  0.706930  1
  Cu  Cu192  1  0.114089  0.025563  0.706930  1
