# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70442784
_cell_length_b   8.45287697
_cell_length_c   50.67964636
_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   'Al20 Cu60'
_cell_volume   2443.71308405
_cell_formula_units_Z   20
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  0.016275  0.617724  0.347485  1
  Al  Al2  1  0.516275  0.367724  0.304436  1
  Al  Al3  1  0.516275  0.867724  0.304436  1
  Al  Al4  1  0.016275  0.117724  0.347485  1
  Al  Al5  1  0.016275  0.117724  0.430559  1
  Al  Al6  1  0.516275  0.867724  0.388926  1
  Al  Al7  1  0.516275  0.367724  0.388926  1
  Al  Al8  1  0.016275  0.617724  0.430559  1
  Al  Al9  1  0.016275  0.617724  0.513937  1
  Al  Al10  1  0.516275  0.367724  0.472242  1
  Al  Al11  1  0.516275  0.867724  0.472242  1
  Al  Al12  1  0.016275  0.117724  0.513937  1
  Al  Al13  1  0.016275  0.117724  0.597253  1
  Al  Al14  1  0.516275  0.867724  0.555620  1
  Al  Al15  1  0.516275  0.367724  0.555620  1
  Al  Al16  1  0.016275  0.617724  0.597253  1
  Al  Al17  1  0.016275  0.617724  0.681743  1
  Al  Al18  1  0.516275  0.367724  0.638694  1
  Al  Al19  1  0.516275  0.867724  0.638694  1
  Al  Al20  1  0.016275  0.117724  0.681743  1
  Cu  Cu21  1  0.016275  0.867724  0.306562  1
  Cu  Cu22  1  0.261934  0.117724  0.305711  1
  Cu  Cu23  1  0.269818  0.867724  0.347009  1
  Cu  Cu24  1  0.516275  0.117724  0.346978  1
  Cu  Cu25  1  0.762731  0.367724  0.347009  1
  Cu  Cu26  1  0.770616  0.617724  0.305711  1
  Cu  Cu27  1  0.516275  0.617724  0.346978  1
  Cu  Cu28  1  0.762731  0.867724  0.347009  1
  Cu  Cu29  1  0.770616  0.117724  0.305711  1
  Cu  Cu30  1  0.016275  0.367724  0.306562  1
  Cu  Cu31  1  0.261934  0.617724  0.305711  1
  Cu  Cu32  1  0.269818  0.367724  0.347009  1
  Cu  Cu33  1  0.016275  0.367724  0.388719  1
  Cu  Cu34  1  0.267021  0.617724  0.388922  1
  Cu  Cu35  1  0.266053  0.367724  0.430556  1
  Cu  Cu36  1  0.516275  0.617724  0.430609  1
  Cu  Cu37  1  0.766497  0.867724  0.430556  1
  Cu  Cu38  1  0.765529  0.117724  0.388922  1
  Cu  Cu39  1  0.516275  0.117724  0.430609  1
  Cu  Cu40  1  0.766497  0.367724  0.430556  1
  Cu  Cu41  1  0.765529  0.617724  0.388922  1
  Cu  Cu42  1  0.016275  0.867724  0.388719  1
  Cu  Cu43  1  0.267021  0.117724  0.388922  1
  Cu  Cu44  1  0.266053  0.867724  0.430556  1
  Cu  Cu45  1  0.016275  0.867724  0.472251  1
  Cu  Cu46  1  0.266254  0.117724  0.472255  1
  Cu  Cu47  1  0.266296  0.867724  0.513924  1
  Cu  Cu48  1  0.516275  0.117724  0.513928  1
  Cu  Cu49  1  0.766254  0.367724  0.513924  1
  Cu  Cu50  1  0.766296  0.617724  0.472255  1
  Cu  Cu51  1  0.516275  0.617724  0.513928  1
  Cu  Cu52  1  0.766254  0.867724  0.513924  1
  Cu  Cu53  1  0.766296  0.117724  0.472255  1
  Cu  Cu54  1  0.016275  0.367724  0.472251  1
  Cu  Cu55  1  0.266254  0.617724  0.472255  1
  Cu  Cu56  1  0.266296  0.367724  0.513924  1
  Cu  Cu57  1  0.016275  0.367724  0.555570  1
  Cu  Cu58  1  0.266497  0.617724  0.555623  1
  Cu  Cu59  1  0.265529  0.367724  0.597257  1
  Cu  Cu60  1  0.516275  0.617724  0.597460  1
  Cu  Cu61  1  0.767021  0.867724  0.597257  1
  Cu  Cu62  1  0.766053  0.117724  0.555623  1
  Cu  Cu63  1  0.516275  0.117724  0.597460  1
  Cu  Cu64  1  0.767021  0.367724  0.597257  1
  Cu  Cu65  1  0.766053  0.617724  0.555623  1
  Cu  Cu66  1  0.016275  0.867724  0.555570  1
  Cu  Cu67  1  0.266497  0.117724  0.555623  1
  Cu  Cu68  1  0.265529  0.867724  0.597257  1
  Cu  Cu69  1  0.016275  0.867724  0.639201  1
  Cu  Cu70  1  0.262731  0.117724  0.639170  1
  Cu  Cu71  1  0.270616  0.867724  0.680468  1
  Cu  Cu72  1  0.516275  0.117724  0.679617  1
  Cu  Cu73  1  0.761934  0.367724  0.680468  1
  Cu  Cu74  1  0.769818  0.617724  0.639170  1
  Cu  Cu75  1  0.516275  0.617724  0.679617  1
  Cu  Cu76  1  0.761934  0.867724  0.680468  1
  Cu  Cu77  1  0.769818  0.117724  0.639170  1
  Cu  Cu78  1  0.016275  0.367724  0.639201  1
  Cu  Cu79  1  0.262731  0.617724  0.639170  1
  Cu  Cu80  1  0.270616  0.367724  0.680468  1
