# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52122585
_cell_length_b   6.70478353
_cell_length_c   49.88973910
_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   'Al14 Cu42'
_cell_volume   1512.34959887
_cell_formula_units_Z   14
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  0.341096  0.857863  0.273506  1
  Al  Al2  1  0.663646  0.357863  0.273506  1
  Al  Al3  1  0.339106  0.459844  0.339570  1
  Al  Al4  1  0.665636  0.959844  0.339570  1
  Al  Al5  1  0.339329  0.061037  0.406312  1
  Al  Al6  1  0.665413  0.561037  0.406312  1
  Al  Al7  1  0.339378  0.662069  0.473011  1
  Al  Al8  1  0.665364  0.162069  0.473011  1
  Al  Al9  1  0.339367  0.263129  0.539685  1
  Al  Al10  1  0.665375  0.763129  0.539685  1
  Al  Al11  1  0.339309  0.864133  0.606431  1
  Al  Al12  1  0.665433  0.364133  0.606431  1
  Al  Al13  1  0.338386  0.466071  0.673038  1
  Al  Al14  1  0.666356  0.966071  0.673038  1
  Cu  Cu15  1  0.326391  0.159271  0.305943  1
  Cu  Cu16  1  0.678351  0.659271  0.305943  1
  Cu  Cu17  1  0.839590  0.009646  0.289658  1
  Cu  Cu18  1  0.837259  0.309798  0.322775  1
  Cu  Cu19  1  0.167483  0.809798  0.322775  1
  Cu  Cu20  1  0.165152  0.509646  0.289658  1
  Cu  Cu21  1  0.325776  0.760500  0.372957  1
  Cu  Cu22  1  0.678966  0.260500  0.372957  1
  Cu  Cu23  1  0.838490  0.610544  0.356270  1
  Cu  Cu24  1  0.838636  0.910567  0.389580  1
  Cu  Cu25  1  0.166106  0.410567  0.389580  1
  Cu  Cu26  1  0.166252  0.110544  0.356270  1
  Cu  Cu27  1  0.325886  0.361539  0.439672  1
  Cu  Cu28  1  0.678856  0.861539  0.439672  1
  Cu  Cu29  1  0.838597  0.211489  0.423066  1
  Cu  Cu30  1  0.838613  0.511602  0.456277  1
  Cu  Cu31  1  0.166129  0.011602  0.456277  1
  Cu  Cu32  1  0.166145  0.711489  0.423066  1
  Cu  Cu33  1  0.325873  0.962599  0.506346  1
  Cu  Cu34  1  0.678869  0.462599  0.506346  1
  Cu  Cu35  1  0.838623  0.812541  0.489742  1
  Cu  Cu36  1  0.838622  0.112656  0.522951  1
  Cu  Cu37  1  0.166120  0.612656  0.522951  1
  Cu  Cu38  1  0.166119  0.312541  0.489742  1
  Cu  Cu39  1  0.325904  0.563670  0.573031  1
  Cu  Cu40  1  0.678838  0.063670  0.573031  1
  Cu  Cu41  1  0.838600  0.413589  0.556424  1
  Cu  Cu42  1  0.838542  0.713691  0.589648  1
  Cu  Cu43  1  0.166200  0.213691  0.589648  1
  Cu  Cu44  1  0.166142  0.913589  0.556424  1
  Cu  Cu45  1  0.325377  0.164596  0.639843  1
  Cu  Cu46  1  0.679365  0.664596  0.639843  1
  Cu  Cu47  1  0.838658  0.014632  0.623125  1
  Cu  Cu48  1  0.838775  0.314674  0.656580  1
  Cu  Cu49  1  0.165967  0.814674  0.656580  1
  Cu  Cu50  1  0.166084  0.514632  0.623125  1
  Cu  Cu51  1  0.330900  0.767675  0.706910  1
  Cu  Cu52  1  0.673842  0.267675  0.706910  1
  Cu  Cu53  1  0.835950  0.614707  0.690409  1
  Cu  Cu54  1  0.837333  0.914947  0.721577  1
  Cu  Cu55  1  0.167409  0.414947  0.721577  1
  Cu  Cu56  1  0.168792  0.114707  0.690409  1
