# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22821641
_cell_length_b   5.13689432
_cell_length_c   47.96594976
_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   'Al18 Cu9'
_cell_volume   1041.81567446
_cell_formula_units_Z   9
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  -0.000216  0.536365  0.317158  1
  Al  Al2  1  0.499788  0.721713  0.279125  1
  Al  Al3  1  0.999779  0.060745  0.348172  1
  Al  Al4  1  0.499783  0.222378  0.312001  1
  Al  Al5  1  -0.000213  0.076385  0.406369  1
  Al  Al6  1  0.499759  0.377220  0.368722  1
  Al  Al7  1  -0.000211  0.438387  0.453521  1
  Al  Al8  1  0.499785  0.807311  0.432551  1
  Al  Al9  1  -0.000208  0.776636  0.504114  1
  Al  Al10  1  0.499784  0.118548  0.477148  1
  Al  Al11  1  -0.000209  0.116561  0.553359  1
  Al  Al12  1  0.499787  0.447293  0.530623  1
  Al  Al13  1  -0.000199  0.221119  0.613217  1
  Al  Al14  1  0.499654  0.765406  0.578304  1
  Al  Al15  1  -0.000206  0.676342  0.654361  1
  Al  Al16  1  0.499797  0.991141  0.635163  1
  Al  Al17  1  -0.000213  0.114146  0.691071  1
  Al  Al18  1  0.499787  0.361939  0.673699  1
  Cu  Cu19  1  0.499783  0.761358  0.333006  1
  Cu  Cu20  1  0.499787  0.886759  0.381039  1
  Cu  Cu21  1  0.499788  0.316386  0.423655  1
  Cu  Cu22  1  0.499791  0.609111  0.480365  1
  Cu  Cu23  1  0.499794  0.949747  0.528086  1
  Cu  Cu24  1  0.499803  0.255788  0.580587  1
  Cu  Cu25  1  0.499803  0.512265  0.624054  1
  Cu  Cu26  1  0.499788  0.829209  0.688079  1
  Cu  Cu27  1  0.499786  0.192994  0.722845  1
