# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92638404
_cell_length_b   5.14441896
_cell_length_c   46.16923099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.47673660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al20 Cu10'
_cell_volume   1146.27948341
_cell_formula_units_Z   10
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  0.037072  0.870852  0.319487  1
  Al  Al2  1  0.539722  0.781027  0.341643  1
  Al  Al3  1  0.068841  0.155498  0.370681  1
  Al  Al4  1  0.561143  0.293626  0.343207  1
  Al  Al5  1  0.608628  0.577690  0.395288  1
  Al  Al6  1  0.114562  0.453616  0.422213  1
  Al  Al7  1  0.656654  0.870468  0.446938  1
  Al  Al8  1  0.143442  0.971106  0.422399  1
  Al  Al9  1  0.180572  0.759721  0.474072  1
  Al  Al10  1  0.700820  0.656444  0.499690  1
  Al  Al11  1  0.241397  0.067124  0.524880  1
  Al  Al12  1  0.721149  0.170402  0.499263  1
  Al  Al13  1  0.765314  0.956377  0.552014  1
  Al  Al14  1  0.278526  0.855739  0.576553  1
  Al  Al15  1  0.813340  0.249155  0.603664  1
  Al  Al16  1  0.307406  0.373229  0.576739  1
  Al  Al17  1  0.353128  0.671347  0.628271  1
  Al  Al18  1  0.860825  0.533220  0.655745  1
  Al  Al19  1  0.384896  0.955993  0.679465  1
  Al  Al20  1  0.882247  0.045819  0.657309  1
  Cu  Cu21  1  0.017263  0.360666  0.322371  1
  Cu  Cu22  1  0.086514  0.667438  0.370922  1
  Cu  Cu23  1  0.597987  0.073092  0.394910  1
  Cu  Cu24  1  0.648486  0.364666  0.447321  1
  Cu  Cu25  1  0.193637  0.270031  0.473647  1
  Cu  Cu26  1  0.228331  0.556814  0.525305  1
  Cu  Cu27  1  0.773482  0.462179  0.551631  1
  Cu  Cu28  1  0.823982  0.753753  0.604042  1
  Cu  Cu29  1  0.335455  0.159407  0.628030  1
  Cu  Cu30  1  0.404706  0.466179  0.676581  1
