# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21534533
_cell_length_b   13.54624696
_cell_length_c   47.26955862
_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   3339.51659997
_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  0.502833  0.554858  0.308487  1
  Al  Al2  1  0.502833  0.846979  0.280614  1
  Al  Al3  1  0.502833  0.257295  0.342300  1
  Al  Al4  1  0.002833  0.372872  0.296114  1
  Al  Al5  1  1.002833  0.664836  0.267326  1
  Al  Al6  1  1.002833  0.073852  0.328378  1
  Al  Al7  1  0.502833  0.665077  0.402795  1
  Al  Al8  1  0.502833  0.962493  0.373006  1
  Al  Al9  1  0.502833  0.369335  0.433094  1
  Al  Al10  1  1.002833  0.482138  0.388142  1
  Al  Al11  1  0.002833  0.777591  0.358625  1
  Al  Al12  1  0.002833  0.186145  0.419174  1
  Al  Al13  1  0.502833  0.776788  0.493886  1
  Al  Al14  1  0.502833  0.073656  0.463697  1
  Al  Al15  1  0.502833  0.480931  0.524316  1
  Al  Al16  1  0.002833  0.592912  0.479717  1
  Al  Al17  1  1.002833  0.889260  0.449500  1
  Al  Al18  1  1.002833  0.297171  0.510226  1
  Al  Al19  1  0.502833  0.887749  0.584805  1
  Al  Al20  1  0.502833  0.184926  0.554655  1
  Al  Al21  1  0.502833  0.591440  0.615805  1
  Al  Al22  1  1.002833  0.704332  0.570947  1
  Al  Al23  1  0.002833  1.000442  0.540391  1
  Al  Al24  1  0.002833  0.409198  0.601329  1
  Al  Al25  1  0.502833  1.000982  0.675487  1
  Al  Al26  1  0.502833  0.296501  0.646137  1
  Al  Al27  1  0.502833  0.701328  0.707587  1
  Al  Al28  1  0.002833  0.815835  0.661557  1
  Al  Al29  1  1.002833  0.111771  0.630905  1
  Al  Al30  1  1.002833  0.519405  0.694348  1
  Cu  Cu31  1  1.002833  0.556276  0.314017  1
  Cu  Cu32  1  1.002833  0.854879  0.284302  1
  Cu  Cu33  1  1.002833  0.261577  0.342523  1
  Cu  Cu34  1  0.502833  0.366762  0.297305  1
  Cu  Cu35  1  0.502833  0.776783  0.357614  1
  Cu  Cu36  1  0.502833  0.072415  0.327389  1
  Cu  Cu37  1  0.256881  0.609417  0.356866  1
  Cu  Cu38  1  0.255641  0.906167  0.327383  1
  Cu  Cu39  1  0.253010  0.201062  0.296653  1
  Cu  Cu40  1  0.748785  0.609417  0.356866  1
  Cu  Cu41  1  0.750026  0.906167  0.327383  1
  Cu  Cu42  1  0.752657  0.201062  0.296653  1
  Cu  Cu43  1  0.254948  0.426536  0.342434  1
  Cu  Cu44  1  0.254092  0.723072  0.313397  1
  Cu  Cu45  1  0.255159  0.018037  0.283307  1
  Cu  Cu46  1  0.750718  0.426536  0.342434  1
  Cu  Cu47  1  0.751574  0.723072  0.313397  1
  Cu  Cu48  1  0.750508  0.018037  0.283307  1
  Cu  Cu49  1  0.002833  0.666916  0.403967  1
  Cu  Cu50  1  1.002833  0.963445  0.374038  1
  Cu  Cu51  1  1.002833  0.371645  0.434322  1
  Cu  Cu52  1  0.502833  0.479390  0.387199  1
  Cu  Cu53  1  0.502833  0.887676  0.448195  1
  Cu  Cu54  1  0.502833  0.184109  0.417736  1
  Cu  Cu55  1  0.252329  0.721135  0.448414  1
  Cu  Cu56  1  0.251955  0.018051  0.418353  1
  Cu  Cu57  1  0.251471  0.314181  0.387483  1
  Cu  Cu58  1  0.753338  0.721135  0.448414  1
  Cu  Cu59  1  0.753711  0.018051  0.418353  1
  Cu  Cu60  1  0.754196  0.314181  0.387483  1
  Cu  Cu61  1  0.252930  0.537064  0.433987  1
  Cu  Cu62  1  0.253160  0.833472  0.404012  1
  Cu  Cu63  1  0.251911  0.130357  0.373602  1
  Cu  Cu64  1  0.752736  0.537064  0.433987  1
  Cu  Cu65  1  0.752506  0.833472  0.404012  1
  Cu  Cu66  1  0.753755  0.130357  0.373602  1
  Cu  Cu67  1  1.002833  0.778582  0.495199  1
  Cu  Cu68  1  0.002833  0.075254  0.465000  1
  Cu  Cu69  1  0.002833  0.482760  0.525677  1
  Cu  Cu70  1  0.502833  0.591115  0.478369  1
  Cu  Cu71  1  0.502833  0.998827  0.539079  1
  Cu  Cu72  1  0.502833  0.295353  0.508875  1
  Cu  Cu73  1  0.252332  0.832453  0.539492  1
  Cu  Cu74  1  0.252309  0.129209  0.509269  1
  Cu  Cu75  1  0.252401  0.425210  0.478789  1
  Cu  Cu76  1  0.753334  0.832453  0.539492  1
  Cu  Cu77  1  0.753358  0.129209  0.509269  1
  Cu  Cu78  1  0.753266  0.425210  0.478789  1
  Cu  Cu79  1  0.253212  0.648625  0.525241  1
  Cu  Cu80  1  0.253355  0.944867  0.494850  1
  Cu  Cu81  1  0.253172  0.241474  0.464562  1
  Cu  Cu82  1  0.752454  0.648625  0.525241  1
  Cu  Cu83  1  0.752311  0.944867  0.494850  1
  Cu  Cu84  1  0.752494  0.241474  0.464562  1
  Cu  Cu85  1  0.002833  0.889714  0.586252  1
  Cu  Cu86  1  1.002833  0.186523  0.556019  1
  Cu  Cu87  1  1.002833  0.594309  0.616990  1
  Cu  Cu88  1  0.502833  0.702200  0.569661  1
  Cu  Cu89  1  0.502833  0.110916  0.629991  1
  Cu  Cu90  1  0.502833  0.406706  0.600287  1
  Cu  Cu91  1  0.253881  0.943535  0.630294  1
  Cu  Cu92  1  0.252978  0.240954  0.600254  1
  Cu  Cu93  1  0.252805  0.536733  0.570056  1
  Cu  Cu94  1  0.751785  0.943535  0.630294  1
  Cu  Cu95  1  0.752688  0.240954  0.600254  1
  Cu  Cu96  1  0.752861  0.536733  0.570056  1
  Cu  Cu97  1  0.254478  0.759510  0.616468  1
  Cu  Cu98  1  0.253868  0.056018  0.585689  1
  Cu  Cu99  1  0.253391  0.352896  0.555720  1
  Cu  Cu100  1  0.751188  0.759510  0.616468  1
  Cu  Cu101  1  0.751799  0.056018  0.585689  1
  Cu  Cu102  1  0.752276  0.352896  0.555720  1
  Cu  Cu103  1  1.002833  1.000247  0.676092  1
  Cu  Cu104  1  0.002833  0.298365  0.646547  1
  Cu  Cu105  1  0.002833  0.707638  0.706556  1
  Cu  Cu106  1  0.502833  0.812906  0.661391  1
  Cu  Cu107  1  0.502833  0.217611  0.718177  1
  Cu  Cu108  1  0.502833  0.514852  0.690756  1
  Cu  Cu109  1  0.248533  0.057700  0.719806  1
  Cu  Cu110  1  0.250464  0.349383  0.691581  1
  Cu  Cu111  1  0.252689  0.647014  0.661542  1
  Cu  Cu112  1  0.757133  0.057700  0.719806  1
  Cu  Cu113  1  0.755202  0.349383  0.691581  1
  Cu  Cu114  1  0.752977  0.647014  0.661542  1
  Cu  Cu115  1  0.252729  0.873684  0.707212  1
  Cu  Cu116  1  0.246771  0.167986  0.676500  1
  Cu  Cu117  1  0.250326  0.464041  0.647354  1
  Cu  Cu118  1  0.752938  0.873684  0.707212  1
  Cu  Cu119  1  0.758895  0.167986  0.676500  1
  Cu  Cu120  1  0.755340  0.464041  0.647354  1
