# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81113484
_cell_length_b   9.42474348
_cell_length_c   47.59279477
_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   'Al27 Cu9'
_cell_volume   1260.93420114
_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  0.502701  0.334943  0.308093  1
  Al  Al2  1  1.002701  0.592176  0.309788  1
  Al  Al3  1  0.002701  0.072241  0.307004  1
  Al  Al4  1  0.502701  0.157287  0.355606  1
  Al  Al5  1  0.002701  0.416574  0.356999  1
  Al  Al6  1  0.002701  0.898886  0.356193  1
  Al  Al7  1  0.502701  0.979195  0.404658  1
  Al  Al8  1  1.002701  0.237797  0.405008  1
  Al  Al9  1  1.002701  0.717527  0.402688  1
  Al  Al10  1  0.502701  0.798105  0.451982  1
  Al  Al11  1  0.002701  0.058500  0.453447  1
  Al  Al12  1  0.002701  0.537691  0.449899  1
  Al  Al13  1  0.502701  0.618350  0.499397  1
  Al  Al14  1  1.002701  0.878545  0.501285  1
  Al  Al15  1  1.002701  0.358156  0.497510  1
  Al  Al16  1  0.502701  0.438596  0.546813  1
  Al  Al17  1  0.002701  0.699010  0.548896  1
  Al  Al18  1  1.002701  0.178201  0.545348  1
  Al  Al19  1  0.502701  0.257506  0.594137  1
  Al  Al20  1  0.002701  0.519174  0.596107  1
  Al  Al21  1  0.002701  0.998904  0.593787  1
  Al  Al22  1  0.502701  0.079414  0.643189  1
  Al  Al23  1  0.002701  0.337815  0.642602  1
  Al  Al24  1  0.002701  0.820127  0.641796  1
  Al  Al25  1  0.502701  0.901758  0.690702  1
  Al  Al26  1  0.002701  0.164460  0.691791  1
  Al  Al27  1  0.002701  0.644525  0.689007  1
  Cu  Cu28  1  0.502701  0.830253  0.311719  1
  Cu  Cu29  1  0.502701  0.656316  0.356343  1
  Cu  Cu30  1  0.502701  0.477499  0.403473  1
  Cu  Cu31  1  0.502701  0.297875  0.451236  1
  Cu  Cu32  1  0.502701  0.118350  0.499397  1
  Cu  Cu33  1  0.502701  0.938825  0.547559  1
  Cu  Cu34  1  0.502701  0.759202  0.595322  1
  Cu  Cu35  1  0.502701  0.580385  0.642452  1
  Cu  Cu36  1  0.502701  0.406448  0.687076  1
