# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.80471818
_cell_length_b   11.35420434
_cell_length_c   50.89049604
_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   'Al36 Cu12'
_cell_volume   1620.62531693
_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  0.503851  0.618641  0.282074  1
  Al  Al2  1  0.503851  0.430794  0.316809  1
  Al  Al3  1  0.503851  0.247861  0.354270  1
  Al  Al4  1  1.003851  0.824379  0.291788  1
  Al  Al5  1  0.003851  0.642079  0.329110  1
  Al  Al6  1  1.003851  0.457926  0.365347  1
  Al  Al7  1  0.003851  0.036596  0.345431  1
  Al  Al8  1  1.003851  0.852001  0.381524  1
  Al  Al9  1  0.003851  0.217241  0.306452  1
  Al  Al10  1  0.503851  0.064579  0.392797  1
  Al  Al11  1  0.503851  0.880048  0.429618  1
  Al  Al12  1  0.503851  0.696003  0.466845  1
  Al  Al13  1  1.003851  0.275510  0.402736  1
  Al  Al14  1  0.003851  0.091705  0.440524  1
  Al  Al15  1  1.003851  0.906892  0.477609  1
  Al  Al16  1  0.003851  0.485371  0.455263  1
  Al  Al17  1  1.003851  0.301446  0.492262  1
  Al  Al18  1  1.003851  0.669052  0.418563  1
  Al  Al19  1  0.503851  0.512075  0.503789  1
  Al  Al20  1  0.503851  0.328063  0.540665  1
  Al  Al21  1  0.503851  0.143210  0.577242  1
  Al  Al22  1  1.003851  0.722720  0.515149  1
  Al  Al23  1  1.003851  0.538264  0.552325  1
  Al  Al24  1  0.003851  0.354560  0.589174  1
  Al  Al25  1  1.003851  0.931635  0.566472  1
  Al  Al26  1  1.003851  0.747383  0.604553  1
  Al  Al27  1  0.003851  0.117109  0.529373  1
  Al  Al28  1  0.503851  0.958198  0.614182  1
  Al  Al29  1  0.503851  0.775437  0.652873  1
  Al  Al30  1  0.503851  0.593970  0.690225  1
  Al  Al31  1  1.003851  0.170642  0.625056  1
  Al  Al32  1  0.003851  0.987472  0.661551  1
  Al  Al33  1  1.003851  0.808406  0.700528  1
  Al  Al34  1  0.003851  0.383566  0.679470  1
  Al  Al35  1  0.003851  0.202872  0.713823  1
  Al  Al36  1  0.003851  0.564426  0.642228  1
  Cu  Cu37  1  0.503851  0.838318  0.336815  1
  Cu  Cu38  1  0.503851  0.654770  0.373857  1
  Cu  Cu39  1  0.503851  0.016488  0.302117  1
  Cu  Cu40  1  0.503851  0.288775  0.447470  1
  Cu  Cu41  1  0.503851  0.104236  0.484932  1
  Cu  Cu42  1  0.503851  0.472373  0.410317  1
  Cu  Cu43  1  0.503851  0.734697  0.559882  1
  Cu  Cu44  1  0.503851  0.550703  0.597297  1
  Cu  Cu45  1  0.503851  0.919964  0.522049  1
  Cu  Cu46  1  0.503851  0.186492  0.669380  1
  Cu  Cu47  1  0.503851  0.010536  0.704803  1
  Cu  Cu48  1  0.503851  0.367589  0.634275  1
