# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32978691
_cell_length_b   8.32932256
_cell_length_c   47.50799556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al24 Cu72'
_cell_volume   2854.57140913
_cell_formula_units_Z   24
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  0.455042  0.462250  0.328943  1
  Al  Al2  1  0.958855  0.955293  0.330012  1
  Al  Al3  1  0.458782  0.955447  0.330058  1
  Al  Al4  1  0.955524  0.461644  0.328902  1
  Al  Al5  1  0.121802  0.129223  0.402464  1
  Al  Al6  1  0.626172  0.621404  0.403634  1
  Al  Al7  1  0.126376  0.621604  0.403679  1
  Al  Al8  1  0.622591  0.128000  0.402415  1
  Al  Al9  1  0.788466  0.796735  0.473173  1
  Al  Al10  1  0.293408  0.287949  0.475153  1
  Al  Al11  1  0.793934  0.288200  0.475228  1
  Al  Al12  1  0.289595  0.794810  0.473081  1
  Al  Al13  1  0.454970  0.464680  0.544743  1
  Al  Al14  1  0.960752  0.954219  0.546508  1
  Al  Al15  1  0.461591  0.954536  0.546573  1
  Al  Al16  1  0.956469  0.461972  0.544688  1
  Al  Al17  1  0.121327  0.132679  0.616664  1
  Al  Al18  1  0.628503  0.619616  0.618508  1
  Al  Al19  1  0.129629  0.620044  0.618560  1
  Al  Al20  1  0.623310  0.128979  0.616623  1
  Al  Al21  1  0.788009  0.799128  0.687670  1
  Al  Al22  1  0.296864  0.283166  0.690996  1
  Al  Al23  1  0.799084  0.283859  0.691096  1
  Al  Al24  1  0.290820  0.793520  0.687408  1
  Cu  Cu25  1  0.624939  0.622939  0.298372  1
  Cu  Cu26  1  0.122381  0.128248  0.349425  1
  Cu  Cu27  1  0.291788  0.289278  0.314343  1
  Cu  Cu28  1  0.121968  0.128352  0.297725  1
  Cu  Cu29  1  0.625619  0.621872  0.350419  1
  Cu  Cu30  1  0.788976  0.794789  0.312465  1
  Cu  Cu31  1  0.622356  0.127918  0.297698  1
  Cu  Cu32  1  0.125074  0.621970  0.350457  1
  Cu  Cu33  1  0.289004  0.795114  0.312373  1
  Cu  Cu34  1  0.124860  0.623076  0.298396  1
  Cu  Cu35  1  0.622358  0.128720  0.349382  1
  Cu  Cu36  1  0.791360  0.289374  0.314420  1
  Cu  Cu37  1  0.292033  0.289208  0.367604  1
  Cu  Cu38  1  0.789816  0.794432  0.419512  1
  Cu  Cu39  1  0.959321  0.954922  0.384514  1
  Cu  Cu40  1  0.788945  0.794730  0.365975  1
  Cu  Cu41  1  0.292772  0.288423  0.421416  1
  Cu  Cu42  1  0.456004  0.461520  0.383315  1
  Cu  Cu43  1  0.289466  0.793951  0.365897  1
  Cu  Cu44  1  0.791962  0.288483  0.421491  1
  Cu  Cu45  1  0.955850  0.462277  0.383268  1
  Cu  Cu46  1  0.792131  0.289348  0.367669  1
  Cu  Cu47  1  0.289502  0.795503  0.419423  1
  Cu  Cu48  1  0.458608  0.955006  0.384563  1
  Cu  Cu49  1  0.959489  0.955244  0.438647  1
  Cu  Cu50  1  0.456715  0.461929  0.491098  1
  Cu  Cu51  1  0.626813  0.621133  0.457166  1
  Cu  Cu52  1  0.455555  0.462244  0.437520  1
  Cu  Cu53  1  0.960455  0.954349  0.492708  1
  Cu  Cu54  1  0.123125  0.128590  0.455813  1
  Cu  Cu55  1  0.956334  0.460979  0.437478  1
  Cu  Cu56  1  0.459264  0.954389  0.492769  1
  Cu  Cu57  1  0.622676  0.130051  0.455759  1
  Cu  Cu58  1  0.459746  0.955428  0.438692  1
  Cu  Cu59  1  0.956133  0.463653  0.491039  1
  Cu  Cu60  1  0.125732  0.621198  0.457216  1
  Cu  Cu61  1  0.626763  0.621775  0.510727  1
  Cu  Cu62  1  0.123854  0.128924  0.562928  1
  Cu  Cu63  1  0.294019  0.288003  0.528965  1
  Cu  Cu64  1  0.122230  0.129865  0.509470  1
  Cu  Cu65  1  0.627879  0.620819  0.564653  1
  Cu  Cu66  1  0.790435  0.795272  0.526876  1
  Cu  Cu67  1  0.623316  0.127966  0.509424  1
  Cu  Cu68  1  0.126306  0.620808  0.564707  1
  Cu  Cu69  1  0.289630  0.797482  0.526775  1
  Cu  Cu70  1  0.127276  0.622007  0.510770  1
  Cu  Cu71  1  0.622933  0.131414  0.562873  1
  Cu  Cu72  1  0.792616  0.288014  0.529040  1
  Cu  Cu73  1  0.293984  0.288214  0.582682  1
  Cu  Cu74  1  0.791477  0.794887  0.634079  1
  Cu  Cu75  1  0.961685  0.953899  0.600144  1
  Cu  Cu76  1  0.788935  0.797354  0.580659  1
  Cu  Cu77  1  0.295368  0.286830  0.636975  1
  Cu  Cu78  1  0.457502  0.462324  0.598230  1
  Cu  Cu79  1  0.290362  0.794707  0.580540  1
  Cu  Cu80  1  0.793424  0.286706  0.637064  1
  Cu  Cu81  1  0.956301  0.465418  0.598180  1
  Cu  Cu82  1  0.794824  0.288512  0.582746  1
  Cu  Cu83  1  0.290017  0.798555  0.633883  1
  Cu  Cu84  1  0.459830  0.953834  0.600212  1
  Cu  Cu85  1  0.961941  0.952972  0.653369  1
  Cu  Cu86  1  0.459160  0.460594  0.704088  1
  Cu  Cu87  1  0.630565  0.617184  0.672536  1
  Cu  Cu88  1  0.455496  0.464708  0.651676  1
  Cu  Cu89  1  0.964766  0.948958  0.706133  1
  Cu  Cu90  1  0.124875  0.128779  0.670511  1
  Cu  Cu91  1  0.957383  0.461067  0.651673  1
  Cu  Cu92  1  0.461387  0.948534  0.706208  1
  Cu  Cu93  1  0.623191  0.133194  0.670481  1
  Cu  Cu94  1  0.463159  0.953395  0.653431  1
  Cu  Cu95  1  0.957131  0.465571  0.704115  1
  Cu  Cu96  1  0.127869  0.616995  0.672584  1
