# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96184418
_cell_length_b   8.03006941
_cell_length_c   46.59314004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.66428696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al33 Cu11'
_cell_volume   1436.15199882
_cell_formula_units_Z   11
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  0.285196  0.064091  0.282897  1
  Al  Al2  1  0.662677  0.309178  0.293929  1
  Al  Al3  1  0.910125  0.814343  0.274647  1
  Al  Al4  1  0.819655  0.995116  0.324685  1
  Al  Al5  1  0.198509  0.237416  0.336141  1
  Al  Al6  1  0.445093  0.744150  0.313248  1
  Al  Al7  1  0.354322  0.925599  0.366716  1
  Al  Al8  1  0.730391  0.173581  0.378060  1
  Al  Al9  1  0.976688  0.680789  0.356062  1
  Al  Al10  1  0.887006  0.860121  0.408869  1
  Al  Al11  1  0.263148  0.107961  0.419823  1
  Al  Al12  1  0.511119  0.611775  0.397699  1
  Al  Al13  1  0.420313  0.793392  0.450664  1
  Al  Al14  1  0.796383  0.041378  0.461736  1
  Al  Al15  1  0.044394  0.545091  0.439429  1
  Al  Al16  1  0.953417  0.727061  0.492517  1
  Al  Al17  1  0.329560  0.974909  0.503643  1
  Al  Al18  1  0.577423  0.478906  0.481292  1
  Al  Al19  1  0.486451  0.660865  0.534366  1
  Al  Al20  1  0.862466  0.908985  0.545639  1
  Al  Al21  1  0.110668  0.412293  0.523072  1
  Al  Al22  1  0.019932  0.593768  0.575979  1
  Al  Al23  1  0.395296  0.843198  0.587564  1
  Al  Al24  1  0.644193  0.345132  0.564842  1
  Al  Al25  1  0.554134  0.525250  0.617424  1
  Al  Al26  1  0.929071  0.775471  0.628864  1
  Al  Al27  1  0.177444  0.278553  0.606962  1
  Al  Al28  1  0.087012  0.459434  0.659986  1
  Al  Al29  1  0.465582  0.702235  0.669472  1
  Al  Al30  1  0.709007  0.215380  0.649277  1
  Al  Al31  1  0.618710  0.395967  0.702710  1
  Al  Al32  1  0.996436  0.640339  0.711944  1
  Al  Al33  1  0.238980  0.155416  0.691257  1
  Cu  Cu34  1  0.056141  0.522152  0.306320  1
  Cu  Cu35  1  0.587811  0.458691  0.346206  1
  Cu  Cu36  1  0.120538  0.393116  0.387623  1
  Cu  Cu37  1  0.653814  0.326436  0.429643  1
  Cu  Cu38  1  0.186993  0.259959  0.471481  1
  Cu  Cu39  1  0.720202  0.193424  0.513295  1
  Cu  Cu40  1  0.253247  0.127229  0.555246  1
  Cu  Cu41  1  0.785960  0.061708  0.597440  1
  Cu  Cu42  1  0.318861  0.995760  0.639681  1
  Cu  Cu43  1  0.851790  0.929608  0.680066  1
  Cu  Cu44  1  0.384475  0.863730  0.716920  1
