# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52729228
_cell_length_b   16.23211031
_cell_length_c   49.55568440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al30 Cu90'
_cell_volume   3641.72373884
_cell_formula_units_Z   30
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  0.334216  0.878593  0.350221  1
  Al  Al2  1  0.342319  0.253919  0.295795  1
  Al  Al3  1  0.342568  0.569916  0.319613  1
  Al  Al4  1  0.661076  0.753919  0.295795  1
  Al  Al5  1  0.660827  0.069916  0.319613  1
  Al  Al6  1  0.669180  0.378593  0.350221  1
  Al  Al7  1  0.338186  0.810865  0.433196  1
  Al  Al8  1  0.337081  0.188830  0.377800  1
  Al  Al9  1  0.341256  0.500070  0.405177  1
  Al  Al10  1  0.666315  0.688830  0.377800  1
  Al  Al11  1  0.662139  1.000070  0.405177  1
  Al  Al12  1  0.665209  0.310865  0.433196  1
  Al  Al13  1  0.338863  0.742662  0.516662  1
  Al  Al14  1  0.337998  0.121211  0.460976  1
  Al  Al15  1  0.339063  0.432014  0.488841  1
  Al  Al16  1  0.665398  0.621211  0.460976  1
  Al  Al17  1  0.664333  0.932014  0.488841  1
  Al  Al18  1  0.664532  0.242662  0.516662  1
  Al  Al19  1  0.341039  0.674383  0.600367  1
  Al  Al20  1  0.338133  0.053444  0.544554  1
  Al  Al21  1  0.338211  0.363967  0.572344  1
  Al  Al22  1  0.665263  0.553444  0.544554  1
  Al  Al23  1  0.665185  0.863967  0.572344  1
  Al  Al24  1  0.662357  0.174383  0.600367  1
  Al  Al25  1  0.339438  0.606772  0.685134  1
  Al  Al26  1  0.337269  0.985802  0.627891  1
  Al  Al27  1  0.335160  0.296182  0.654720  1
  Al  Al28  1  0.666127  0.485802  0.627891  1
  Al  Al29  1  0.668236  0.796182  0.654720  1
  Al  Al30  1  0.663957  0.106772  0.685134  1
  Cu  Cu31  1  0.324687  0.722998  0.336328  1
  Cu  Cu32  1  0.327410  0.034306  0.362975  1
  Cu  Cu33  1  0.334589  0.410143  0.308528  1
  Cu  Cu34  1  0.668806  0.910143  0.308528  1
  Cu  Cu35  1  0.678708  0.222998  0.336328  1
  Cu  Cu36  1  0.675986  0.534306  0.362975  1
  Cu  Cu37  1  0.833743  0.958040  0.356121  1
  Cu  Cu38  1  0.841428  0.333142  0.302147  1
  Cu  Cu39  1  0.841695  0.645486  0.329233  1
  Cu  Cu40  1  0.833800  0.800849  0.343234  1
  Cu  Cu41  1  0.835056  0.110569  0.370052  1
  Cu  Cu42  1  0.840814  0.488384  0.314960  1
  Cu  Cu43  1  0.162582  0.988384  0.314960  1
  Cu  Cu44  1  0.169596  0.300849  0.343234  1
  Cu  Cu45  1  0.168340  0.610569  0.370052  1
  Cu  Cu46  1  0.161967  0.833142  0.302147  1
  Cu  Cu47  1  0.161701  0.145486  0.329233  1
  Cu  Cu48  1  0.169653  0.458040  0.356121  1
  Cu  Cu49  1  0.325272  0.655135  0.419276  1
  Cu  Cu50  1  0.324865  0.966069  0.447066  1
  Cu  Cu51  1  0.325400  0.344854  0.391515  1
  Cu  Cu52  1  0.677996  0.844854  0.391515  1
  Cu  Cu53  1  0.678124  0.155135  0.419276  1
  Cu  Cu54  1  0.678531  0.466069  0.447066  1
  Cu  Cu55  1  0.837397  0.888711  0.440170  1
  Cu  Cu56  1  0.837721  0.266582  0.384772  1
  Cu  Cu57  1  0.839975  0.577646  0.412182  1
  Cu  Cu58  1  0.837578  0.732877  0.426333  1
  Cu  Cu59  1  0.837353  0.043410  0.453971  1
  Cu  Cu60  1  0.840755  0.422662  0.398293  1
  Cu  Cu61  1  0.162641  0.922662  0.398293  1
  Cu  Cu62  1  0.165818  0.232877  0.426333  1
  Cu  Cu63  1  0.166042  0.543410  0.453971  1
  Cu  Cu64  1  0.165675  0.766582  0.384772  1
  Cu  Cu65  1  0.163421  0.077646  0.412182  1
  Cu  Cu66  1  0.165999  0.388711  0.440170  1
  Cu  Cu67  1  0.325889  0.587338  0.502764  1
  Cu  Cu68  1  0.325204  0.898041  0.530584  1
  Cu  Cu69  1  0.325273  0.276652  0.474944  1
  Cu  Cu70  1  0.678123  0.776652  0.474944  1
  Cu  Cu71  1  0.677507  0.087338  0.502764  1
  Cu  Cu72  1  0.678192  0.398041  0.530584  1
  Cu  Cu73  1  0.838013  0.820540  0.523677  1
  Cu  Cu74  1  0.837373  0.199126  0.468005  1
  Cu  Cu75  1  0.838443  0.509860  0.495840  1
  Cu  Cu76  1  0.838381  0.664805  0.509681  1
  Cu  Cu77  1  0.837369  0.975578  0.537520  1
  Cu  Cu78  1  0.838245  0.354173  0.481851  1
  Cu  Cu79  1  0.165151  0.854173  0.481851  1
  Cu  Cu80  1  0.165014  0.164805  0.509681  1
  Cu  Cu81  1  0.166027  0.475578  0.537520  1
  Cu  Cu82  1  0.166023  0.699126  0.468005  1
  Cu  Cu83  1  0.164953  0.009860  0.495840  1
  Cu  Cu84  1  0.165383  0.320540  0.523677  1
  Cu  Cu85  1  0.325786  0.519532  0.586317  1
  Cu  Cu86  1  0.323122  0.830191  0.613899  1
  Cu  Cu87  1  0.325203  0.208563  0.558412  1
  Cu  Cu88  1  0.678193  0.708563  0.558412  1
  Cu  Cu89  1  0.677609  0.019532  0.586317  1
  Cu  Cu90  1  0.680274  0.330191  0.613899  1
  Cu  Cu91  1  0.839837  0.751926  0.606949  1
  Cu  Cu92  1  0.837533  0.131227  0.551566  1
  Cu  Cu93  1  0.837958  0.441928  0.579219  1
  Cu  Cu94  1  0.840239  0.596834  0.593365  1
  Cu  Cu95  1  0.837351  0.908492  0.620899  1
  Cu  Cu96  1  0.837185  0.285947  0.565302  1
  Cu  Cu97  1  0.166211  0.785947  0.565302  1
  Cu  Cu98  1  0.163157  0.096834  0.593365  1
  Cu  Cu99  1  0.166045  0.408492  0.620899  1
  Cu  Cu100  1  0.165863  0.631227  0.551566  1
  Cu  Cu101  1  0.165438  0.941928  0.579219  1
  Cu  Cu102  1  0.163559  0.251926  0.606949  1
  Cu  Cu103  1  0.334195  0.451511  0.669811  1
  Cu  Cu104  1  0.332862  0.766420  0.696340  1
  Cu  Cu105  1  0.326138  0.139850  0.642483  1
  Cu  Cu106  1  0.677257  0.639850  0.642483  1
  Cu  Cu107  1  0.669200  0.951511  0.669811  1
  Cu  Cu108  1  0.670534  0.266420  0.696340  1
  Cu  Cu109  1  0.839138  0.686470  0.690149  1
  Cu  Cu110  1  0.836131  0.063499  0.635707  1
  Cu  Cu111  1  0.835145  0.374855  0.662629  1
  Cu  Cu112  1  0.840130  0.527305  0.676890  1
  Cu  Cu113  1  0.837892  0.839889  0.702041  1
  Cu  Cu114  1  0.834885  0.217422  0.649012  1
  Cu  Cu115  1  0.168511  0.717422  0.649012  1
  Cu  Cu116  1  0.163265  0.027305  0.676890  1
  Cu  Cu117  1  0.165504  0.339889  0.702041  1
  Cu  Cu118  1  0.167265  0.563499  0.635707  1
  Cu  Cu119  1  0.168250  0.874855  0.662629  1
  Cu  Cu120  1  0.164257  0.186470  0.690149  1
