# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81295180
_cell_length_b   17.30112744
_cell_length_c   49.34585130
_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   'Al54 Cu18'
_cell_volume   2401.5262727
_cell_formula_units_Z   18
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  0.502376  0.255728  0.306797  1
  Al  Al2  1  0.502376  0.805160  0.284172  1
  Al  Al3  1  1.002376  0.397210  0.302630  1
  Al  Al4  1  0.002376  0.949147  0.282336  1
  Al  Al5  1  0.002376  0.110349  0.310812  1
  Al  Al6  1  0.002376  0.659039  0.288802  1
  Al  Al7  1  0.502376  0.175721  0.355918  1
  Al  Al8  1  0.502376  0.717877  0.333355  1
  Al  Al9  1  1.002376  0.317324  0.351619  1
  Al  Al10  1  0.002376  0.857383  0.329494  1
  Al  Al11  1  0.002376  0.039775  0.366059  1
  Al  Al12  1  0.002376  0.578527  0.339733  1
  Al  Al13  1  0.502376  0.100440  0.409724  1
  Al  Al14  1  0.502376  0.639041  0.384310  1
  Al  Al15  1  1.002376  0.238077  0.401595  1
  Al  Al16  1  0.002376  0.778988  0.379112  1
  Al  Al17  1  0.002376  0.958283  0.415018  1
  Al  Al18  1  0.002376  0.496941  0.388427  1
  Al  Al19  1  0.502376  0.019410  0.459694  1
  Al  Al20  1  0.502376  0.558047  0.433673  1
  Al  Al21  1  0.002376  0.160723  0.454022  1
  Al  Al22  1  1.002376  0.699725  0.429290  1
  Al  Al23  1  0.002376  0.877953  0.464717  1
  Al  Al24  1  0.002376  0.416705  0.437768  1
  Al  Al25  1  0.502376  0.939405  0.509967  1
  Al  Al26  1  0.502376  0.477300  0.483311  1
  Al  Al27  1  0.002376  0.079526  0.504412  1
  Al  Al28  1  0.002376  0.618728  0.478804  1
  Al  Al29  1  1.002376  0.798001  0.514487  1
  Al  Al30  1  0.002376  0.335977  0.487631  1
  Al  Al31  1  0.502376  0.859167  0.559537  1
  Al  Al32  1  0.502376  0.397779  0.533127  1
  Al  Al33  1  0.002376  0.001130  0.555398  1
  Al  Al34  1  1.002376  0.539038  0.528677  1
  Al  Al35  1  0.002376  0.717134  0.563984  1
  Al  Al36  1  1.002376  0.257681  0.538708  1
  Al  Al37  1  0.502376  0.777378  0.608841  1
  Al  Al38  1  0.502376  0.317546  0.583443  1
  Al  Al39  1  1.002376  0.919620  0.604715  1
  Al  Al40  1  0.002376  0.458937  0.578521  1
  Al  Al41  1  1.002376  0.637281  0.614367  1
  Al  Al42  1  1.002376  0.176256  0.589135  1
  Al  Al43  1  0.502376  0.698777  0.659790  1
  Al  Al44  1  0.502376  0.236645  0.633467  1
  Al  Al45  1  1.002376  0.838354  0.653309  1
  Al  Al46  1  1.002376  0.378812  0.628138  1
  Al  Al47  1  0.002376  0.558261  0.664490  1
  Al  Al48  1  1.002376  0.099287  0.641589  1
  Al  Al49  1  0.502376  0.619033  0.709399  1
  Al  Al50  1  0.502376  0.161452  0.686793  1
  Al  Al51  1  0.002376  0.761782  0.704274  1
  Al  Al52  1  0.002376  0.297844  0.676867  1
  Al  Al53  1  0.002376  0.479022  0.713777  1
  Al  Al54  1  1.002376  0.021086  0.690616  1
  Cu  Cu55  1  0.502376  0.986234  0.325679  1
  Cu  Cu56  1  0.502376  0.527738  0.298697  1
  Cu  Cu57  1  0.502376  0.908431  0.372524  1
  Cu  Cu58  1  0.502376  0.447249  0.345602  1
  Cu  Cu59  1  0.502376  0.828776  0.421897  1
  Cu  Cu60  1  0.502376  0.367285  0.394674  1
  Cu  Cu61  1  0.502376  0.748475  0.471920  1
  Cu  Cu62  1  0.502376  0.287769  0.444435  1
  Cu  Cu63  1  0.502376  0.668340  0.521362  1
  Cu  Cu64  1  0.502376  0.208098  0.496490  1
  Cu  Cu65  1  0.502376  0.588209  0.571534  1
  Cu  Cu66  1  0.502376  0.129091  0.546646  1
  Cu  Cu67  1  0.502376  0.508314  0.621485  1
  Cu  Cu68  1  0.502376  0.049156  0.598672  1
  Cu  Cu69  1  0.502376  0.429157  0.670642  1
  Cu  Cu70  1  0.502376  0.969710  0.647549  1
  Cu  Cu71  1  0.502376  0.350671  0.716758  1
  Cu  Cu72  1  0.502376  0.891432  0.694181  1
