# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81160043
_cell_length_b   8.04156684
_cell_length_c   47.74215828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al24 Cu8'
_cell_volume   1079.43457834
_cell_formula_units_Z   8
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  0.502617  0.783846  0.324171  1
  Al  Al2  1  1.002617  0.072221  0.311083  1
  Al  Al3  1  1.002617  0.606434  0.283870  1
  Al  Al4  1  0.502617  0.664605  0.381180  1
  Al  Al5  1  1.002617  0.955066  0.366890  1
  Al  Al6  1  1.002617  0.494555  0.339334  1
  Al  Al7  1  0.502617  0.537440  0.436378  1
  Al  Al8  1  1.002617  0.833835  0.423562  1
  Al  Al9  1  0.002617  0.366114  0.393609  1
  Al  Al10  1  0.502617  0.413426  0.491936  1
  Al  Al11  1  1.002617  0.708359  0.479101  1
  Al  Al12  1  0.002617  0.241682  0.449092  1
  Al  Al13  1  0.502617  0.290561  0.547724  1
  Al  Al14  1  1.002617  0.585226  0.534741  1
  Al  Al15  1  1.002617  0.119636  0.505133  1
  Al  Al16  1  0.502617  0.166897  0.603444  1
  Al  Al17  1  1.002617  0.461541  0.590355  1
  Al  Al18  1  1.002617  0.995827  0.560816  1
  Al  Al19  1  0.502617  0.045410  0.659607  1
  Al  Al20  1  1.002617  0.337577  0.645965  1
  Al  Al21  1  1.002617  0.873489  0.616680  1
  Al  Al22  1  0.502617  0.916026  0.713638  1
  Al  Al23  1  1.002617  0.215174  0.702076  1
  Al  Al24  1  1.002617  0.750742  0.672037  1
  Cu  Cu25  1  0.502617  0.343045  0.300435  1
  Cu  Cu26  1  0.502617  0.221128  0.352421  1
  Cu  Cu27  1  0.502617  0.098426  0.407952  1
  Cu  Cu28  1  0.502617  0.975804  0.464425  1
  Cu  Cu29  1  0.502617  0.852374  0.519945  1
  Cu  Cu30  1  0.502617  0.729119  0.575726  1
  Cu  Cu31  1  0.502617  0.605677  0.631112  1
  Cu  Cu32  1  0.502617  0.485190  0.685635  1
