# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22638409
_cell_length_b   7.24387539
_cell_length_c   48.05467699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al24 Cu12'
_cell_volume   1471.21314481
_cell_formula_units_Z   12
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  0.054081  0.534352  0.360728  1
  Al  Al2  1  0.054798  0.023789  0.360993  1
  Al  Al3  1  0.056172  0.778510  0.318817  1
  Al  Al4  1  0.555283  0.083174  0.323807  1
  Al  Al5  1  0.051023  0.053856  0.424054  1
  Al  Al6  1  0.049445  0.553427  0.430897  1
  Al  Al7  1  0.555863  0.278668  0.370415  1
  Al  Al8  1  0.551577  0.596363  0.395898  1
  Al  Al9  1  0.045235  0.835450  0.474516  1
  Al  Al10  1  0.039918  0.097364  0.517888  1
  Al  Al11  1  0.547434  0.807307  0.439892  1
  Al  Al12  1  0.045668  0.284079  0.467891  1
  Al  Al13  1  0.039987  0.532862  0.508136  1
  Al  Al14  1  0.036320  0.783174  0.549181  1
  Al  Al15  1  0.540813  0.835755  0.511746  1
  Al  Al16  1  0.536206  0.131891  0.557543  1
  Al  Al17  1  0.037683  0.032212  0.593386  1
  Al  Al18  1  0.038964  0.321227  0.635994  1
  Al  Al19  1  0.033490  0.370737  0.562209  1
  Al  Al20  1  0.528230  0.451727  0.596669  1
  Al  Al21  1  0.025809  0.657722  0.608006  1
  Al  Al22  1  0.020227  0.960445  0.656250  1
  Al  Al23  1  0.520431  0.811726  0.631724  1
  Al  Al24  1  0.520936  0.164406  0.673314  1
  Cu  Cu25  1  0.555872  0.781945  0.350515  1
  Cu  Cu26  1  0.554371  0.482735  0.326060  1
  Cu  Cu27  1  0.549437  0.290368  0.428250  1
  Cu  Cu28  1  0.553087  0.969143  0.393826  1
  Cu  Cu29  1  0.545864  0.082201  0.471255  1
  Cu  Cu30  1  0.544373  0.526933  0.471182  1
  Cu  Cu31  1  0.535879  0.550220  0.544211  1
  Cu  Cu32  1  0.540558  0.301378  0.509897  1
  Cu  Cu33  1  0.539641  0.142107  0.618946  1
  Cu  Cu34  1  0.534974  0.809992  0.579349  1
  Cu  Cu35  1  0.518611  0.803416  0.683661  1
  Cu  Cu36  1  0.541741  0.497270  0.652893  1
