# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51504820
_cell_length_b   9.96239975
_cell_length_c   49.35959911
_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   2220.23006434
_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  0.346744  0.142478  0.292230  1
  Al  Al2  1  0.337358  0.779088  0.338774  1
  Al  Al3  1  0.667290  0.458042  0.315107  1
  Al  Al4  1  0.661433  0.829978  0.271724  1
  Al  Al5  1  0.338843  0.415351  0.383832  1
  Al  Al6  1  0.339130  0.052843  0.429748  1
  Al  Al7  1  0.667339  0.733853  0.406815  1
  Al  Al8  1  0.668593  0.098430  0.361479  1
  Al  Al9  1  0.338938  0.689335  0.475255  1
  Al  Al10  1  0.339325  0.326590  0.520939  1
  Al  Al11  1  0.668044  0.007766  0.498058  1
  Al  Al12  1  0.668146  0.371265  0.452521  1
  Al  Al13  1  0.338710  0.963097  0.566503  1
  Al  Al14  1  0.339060  0.600932  0.612381  1
  Al  Al15  1  0.668394  0.280860  0.589167  1
  Al  Al16  1  0.667975  0.645108  0.543776  1
  Al  Al17  1  0.340904  0.236310  0.657390  1
  Al  Al18  1  0.320255  0.874618  0.705187  1
  Al  Al19  1  0.669650  0.553953  0.679171  1
  Al  Al20  1  0.666500  0.919645  0.635342  1
  Cu  Cu21  1  0.325809  0.277740  0.338048  1
  Cu  Cu22  1  0.326193  0.645061  0.292879  1
  Cu  Cu23  1  0.681072  0.596365  0.361105  1
  Cu  Cu24  1  0.676319  0.962262  0.316224  1
  Cu  Cu25  1  0.841846  0.208759  0.315346  1
  Cu  Cu26  1  0.837997  0.583509  0.272222  1
  Cu  Cu27  1  0.838760  0.347170  0.360863  1
  Cu  Cu28  1  0.835349  0.712074  0.316359  1
  Cu  Cu29  1  0.166967  0.394747  0.292786  1
  Cu  Cu30  1  0.169742  0.030317  0.338477  1
  Cu  Cu31  1  0.168820  0.528671  0.338233  1
  Cu  Cu32  1  0.161586  0.894778  0.293782  1
  Cu  Cu33  1  0.325371  0.552306  0.429591  1
  Cu  Cu34  1  0.325486  0.916274  0.384174  1
  Cu  Cu35  1  0.681269  0.870873  0.452460  1
  Cu  Cu36  1  0.681475  0.234656  0.406930  1
  Cu  Cu37  1  0.838025  0.483843  0.406823  1
  Cu  Cu38  1  0.837676  0.848337  0.361588  1
  Cu  Cu39  1  0.838286  0.620952  0.452360  1
  Cu  Cu40  1  0.838275  0.984387  0.406944  1
  Cu  Cu41  1  0.167793  0.665259  0.383969  1
  Cu  Cu42  1  0.168936  0.302854  0.429619  1
  Cu  Cu43  1  0.168451  0.802507  0.429706  1
  Cu  Cu44  1  0.168726  0.166194  0.384203  1
  Cu  Cu45  1  0.325426  0.826284  0.520902  1
  Cu  Cu46  1  0.325783  0.189664  0.475324  1
  Cu  Cu47  1  0.681481  0.144542  0.543640  1
  Cu  Cu48  1  0.681557  0.508138  0.498134  1
  Cu  Cu49  1  0.838219  0.757839  0.498144  1
  Cu  Cu50  1  0.838510  0.121268  0.452594  1
  Cu  Cu51  1  0.838187  0.894767  0.543636  1
  Cu  Cu52  1  0.838495  0.258003  0.498065  1
  Cu  Cu53  1  0.168633  0.939344  0.475205  1
  Cu  Cu54  1  0.168799  0.576558  0.520900  1
  Cu  Cu55  1  0.168786  0.076324  0.520921  1
  Cu  Cu56  1  0.168757  0.439628  0.475386  1
  Cu  Cu57  1  0.325448  0.099656  0.612071  1
  Cu  Cu58  1  0.326021  0.463599  0.566606  1
  Cu  Cu59  1  0.682486  0.417215  0.634401  1
  Cu  Cu60  1  0.681057  0.782353  0.589438  1
  Cu  Cu61  1  0.837983  0.031291  0.589412  1
  Cu  Cu62  1  0.838706  0.395017  0.543797  1
  Cu  Cu63  1  0.839533  0.167177  0.634916  1
  Cu  Cu64  1  0.838292  0.531962  0.589259  1
  Cu  Cu65  1  0.168802  0.212935  0.566351  1
  Cu  Cu66  1  0.168517  0.850878  0.612318  1
  Cu  Cu67  1  0.169195  0.349764  0.611934  1
  Cu  Cu68  1  0.168580  0.713497  0.566738  1
  Cu  Cu69  1  0.336592  0.372867  0.703103  1
  Cu  Cu70  1  0.320152  0.738715  0.658471  1
  Cu  Cu71  1  0.677453  0.686335  0.723866  1
  Cu  Cu72  1  0.677151  0.055124  0.681902  1
  Cu  Cu73  1  0.838707  0.301938  0.680238  1
  Cu  Cu74  1  0.838235  0.670052  0.634845  1
  Cu  Cu75  1  0.840524  0.438387  0.723092  1
  Cu  Cu76  1  0.827780  0.806450  0.680696  1
  Cu  Cu77  1  0.168809  0.485225  0.657386  1
  Cu  Cu78  1  0.168413  0.127476  0.702572  1
  Cu  Cu79  1  0.172941  0.620015  0.703015  1
  Cu  Cu80  1  0.167795  0.986694  0.658419  1
