# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21103239
_cell_length_b   9.63037345
_cell_length_c   48.44812322
_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   2431.32972132
_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  0.503249  0.086072  0.310663  1
  Al  Al2  1  0.503249  0.696194  0.354266  1
  Al  Al3  1  1.003249  0.824453  0.305064  1
  Al  Al4  1  1.003249  0.431052  0.348277  1
  Al  Al5  1  0.503249  0.306839  0.395692  1
  Al  Al6  1  0.503249  0.916929  0.437211  1
  Al  Al7  1  1.003249  0.041590  0.389330  1
  Al  Al8  1  1.003249  0.651708  0.431322  1
  Al  Al9  1  0.503249  0.527226  0.478930  1
  Al  Al10  1  0.503249  0.137354  0.520615  1
  Al  Al11  1  1.003249  0.261287  0.472907  1
  Al  Al12  1  1.003249  0.871416  0.514592  1
  Al  Al13  1  0.503249  0.746934  0.562199  1
  Al  Al14  1  0.503249  0.357052  0.604192  1
  Al  Al15  1  1.003249  0.481712  0.556310  1
  Al  Al16  1  0.003249  0.091803  0.597829  1
  Al  Al17  1  0.503249  0.967590  0.645244  1
  Al  Al18  1  0.503249  0.574189  0.688458  1
  Al  Al19  1  1.003249  0.702448  0.639256  1
  Al  Al20  1  1.003249  0.312570  0.682858  1
  Cu  Cu21  1  1.003249  0.094013  0.314045  1
  Cu  Cu22  1  1.003249  0.701884  0.354340  1
  Cu  Cu23  1  0.503249  0.816422  0.306427  1
  Cu  Cu24  1  0.503249  0.428126  0.347269  1
  Cu  Cu25  1  0.255707  0.196554  0.353795  1
  Cu  Cu26  1  0.253277  0.586008  0.312458  1
  Cu  Cu27  1  0.750792  0.196554  0.353795  1
  Cu  Cu28  1  0.753222  0.586008  0.312458  1
  Cu  Cu29  1  0.253786  0.931624  0.347508  1
  Cu  Cu30  1  0.253979  0.323171  0.306771  1
  Cu  Cu31  1  0.752713  0.931624  0.347508  1
  Cu  Cu32  1  0.752520  0.323171  0.306771  1
  Cu  Cu33  1  1.003249  0.310084  0.396770  1
  Cu  Cu34  1  1.003249  0.920812  0.438349  1
  Cu  Cu35  1  0.503249  0.037246  0.388343  1
  Cu  Cu36  1  0.503249  0.648071  0.430054  1
  Cu  Cu37  1  0.252667  0.417278  0.437363  1
  Cu  Cu38  1  0.251874  0.807371  0.395536  1
  Cu  Cu39  1  0.753832  0.417278  0.437363  1
  Cu  Cu40  1  0.754624  0.807371  0.395536  1
  Cu  Cu41  1  0.253569  0.150937  0.431134  1
  Cu  Cu42  1  0.252734  0.541551  0.389632  1
  Cu  Cu43  1  0.752930  0.150937  0.431134  1
  Cu  Cu44  1  0.753765  0.541551  0.389632  1
  Cu  Cu45  1  1.003249  0.530646  0.480115  1
  Cu  Cu46  1  1.003249  0.140795  0.521801  1
  Cu  Cu47  1  0.503249  0.257847  0.471720  1
  Cu  Cu48  1  0.503249  0.867996  0.513407  1
  Cu  Cu49  1  0.252783  0.637263  0.520677  1
  Cu  Cu50  1  0.252834  0.027267  0.479002  1
  Cu  Cu51  1  0.753716  0.637263  0.520677  1
  Cu  Cu52  1  0.753665  0.027267  0.479002  1
  Cu  Cu53  1  0.253665  0.371374  0.514519  1
  Cu  Cu54  1  0.253716  0.761379  0.472845  1
  Cu  Cu55  1  0.752834  0.371374  0.514519  1
  Cu  Cu56  1  0.752783  0.761379  0.472845  1
  Cu  Cu57  1  1.003249  0.750571  0.563467  1
  Cu  Cu58  1  0.003249  0.361396  0.605179  1
  Cu  Cu59  1  0.503249  0.477830  0.555173  1
  Cu  Cu60  1  0.503249  0.088558  0.596752  1
  Cu  Cu61  1  0.253765  0.857091  0.603889  1
  Cu  Cu62  1  0.252930  0.247705  0.562388  1
  Cu  Cu63  1  0.752734  0.857091  0.603889  1
  Cu  Cu64  1  0.753569  0.247705  0.562388  1
  Cu  Cu65  1  0.254624  0.591271  0.597985  1
  Cu  Cu66  1  0.253832  0.981364  0.556158  1
  Cu  Cu67  1  0.751874  0.591271  0.597985  1
  Cu  Cu68  1  0.752667  0.981364  0.556158  1
  Cu  Cu69  1  1.003249  0.970516  0.646253  1
  Cu  Cu70  1  1.003249  0.582219  0.687095  1
  Cu  Cu71  1  0.503249  0.696758  0.639181  1
  Cu  Cu72  1  0.503249  0.304629  0.679477  1
  Cu  Cu73  1  0.252520  0.075470  0.686751  1
  Cu  Cu74  1  0.252713  0.467018  0.646014  1
  Cu  Cu75  1  0.753979  0.075470  0.686751  1
  Cu  Cu76  1  0.753786  0.467018  0.646014  1
  Cu  Cu77  1  0.253222  0.812634  0.681064  1
  Cu  Cu78  1  0.250792  0.202087  0.639726  1
  Cu  Cu79  1  0.753277  0.812634  0.681064  1
  Cu  Cu80  1  0.755707  0.202087  0.639726  1
