# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80189176
_cell_length_b   5.80189176
_cell_length_c   54.17143807
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al16 Cu48'
_cell_volume   1823.51612877
_cell_formula_units_Z   16
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  0.007602  0.007602  0.336511  1
  Al  Al2  1  0.507602  0.507602  0.336511  1
  Al  Al3  1  0.007602  0.507602  0.280938  1
  Al  Al4  1  0.507602  0.007602  0.280938  1
  Al  Al5  1  0.007602  0.007602  0.447622  1
  Al  Al6  1  0.507602  0.507602  0.447622  1
  Al  Al7  1  0.007602  0.507602  0.392067  1
  Al  Al8  1  0.507602  0.007602  0.392067  1
  Al  Al9  1  0.007602  0.007602  0.558733  1
  Al  Al10  1  0.507602  0.507602  0.558733  1
  Al  Al11  1  0.007602  0.507602  0.503178  1
  Al  Al12  1  0.507602  0.007602  0.503178  1
  Al  Al13  1  0.007602  0.007602  0.669848  1
  Al  Al14  1  0.507602  0.507602  0.669848  1
  Al  Al15  1  0.007602  0.507602  0.614289  1
  Al  Al16  1  0.507602  0.007602  0.614289  1
  Cu  Cu17  1  0.007602  0.007602  0.280967  1
  Cu  Cu18  1  0.757602  0.757602  0.308733  1
  Cu  Cu19  1  0.757602  0.757602  0.364289  1
  Cu  Cu20  1  0.507602  0.507602  0.280967  1
  Cu  Cu21  1  0.257602  0.257602  0.308733  1
  Cu  Cu22  1  0.257602  0.257602  0.364289  1
  Cu  Cu23  1  0.007602  0.507602  0.336508  1
  Cu  Cu24  1  0.757602  0.257602  0.364289  1
  Cu  Cu25  1  0.757602  0.257602  0.308733  1
  Cu  Cu26  1  0.507602  0.007602  0.336508  1
  Cu  Cu27  1  0.257602  0.757602  0.364289  1
  Cu  Cu28  1  0.257602  0.757602  0.308733  1
  Cu  Cu29  1  0.007602  0.007602  0.392067  1
  Cu  Cu30  1  0.757602  0.757602  0.419844  1
  Cu  Cu31  1  0.757602  0.757602  0.475400  1
  Cu  Cu32  1  0.507602  0.507602  0.392067  1
  Cu  Cu33  1  0.257602  0.257602  0.419844  1
  Cu  Cu34  1  0.257602  0.257602  0.475400  1
  Cu  Cu35  1  0.007602  0.507602  0.447622  1
  Cu  Cu36  1  0.757602  0.257602  0.475400  1
  Cu  Cu37  1  0.757602  0.257602  0.419844  1
  Cu  Cu38  1  0.507602  0.007602  0.447622  1
  Cu  Cu39  1  0.257602  0.757602  0.475400  1
  Cu  Cu40  1  0.257602  0.757602  0.419844  1
  Cu  Cu41  1  0.007602  0.007602  0.503178  1
  Cu  Cu42  1  0.757602  0.757602  0.530955  1
  Cu  Cu43  1  0.757602  0.757602  0.586511  1
  Cu  Cu44  1  0.507602  0.507602  0.503178  1
  Cu  Cu45  1  0.257602  0.257602  0.530955  1
  Cu  Cu46  1  0.257602  0.257602  0.586511  1
  Cu  Cu47  1  0.007602  0.507602  0.558733  1
  Cu  Cu48  1  0.757602  0.257602  0.586511  1
  Cu  Cu49  1  0.757602  0.257602  0.530955  1
  Cu  Cu50  1  0.507602  0.007602  0.558733  1
  Cu  Cu51  1  0.257602  0.757602  0.586511  1
  Cu  Cu52  1  0.257602  0.757602  0.530955  1
  Cu  Cu53  1  0.007602  0.007602  0.614289  1
  Cu  Cu54  1  0.757602  0.757602  0.642067  1
  Cu  Cu55  1  0.757602  0.757602  0.697626  1
  Cu  Cu56  1  0.507602  0.507602  0.614289  1
  Cu  Cu57  1  0.257602  0.257602  0.642067  1
  Cu  Cu58  1  0.257602  0.257602  0.697626  1
  Cu  Cu59  1  0.007602  0.507602  0.669842  1
  Cu  Cu60  1  0.757602  0.257602  0.697626  1
  Cu  Cu61  1  0.757602  0.257602  0.642067  1
  Cu  Cu62  1  0.507602  0.007602  0.669842  1
  Cu  Cu63  1  0.257602  0.757602  0.697626  1
  Cu  Cu64  1  0.257602  0.757602  0.642067  1
