# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08489134
_cell_length_b   13.13749655
_cell_length_c   50.05345919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al80 Cu40'
_cell_volume   4001.28548999
_cell_formula_units_Z   40
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  0.654373  0.547913  0.309728  1
  Al  Al2  1  0.654441  0.115994  0.356292  1
  Al  Al3  1  0.352328  0.616197  0.354829  1
  Al  Al4  1  0.345760  0.050927  0.310516  1
  Al  Al5  1  0.659000  0.919384  0.324668  1
  Al  Al6  1  0.638215  0.354053  0.283343  1
  Al  Al7  1  0.366149  0.869863  0.284243  1
  Al  Al8  1  0.345034  0.417446  0.324762  1
  Al  Al9  1  0.157612  0.836883  0.331495  1
  Al  Al10  1  0.151372  0.268074  0.289757  1
  Al  Al11  1  0.873728  0.771486  0.291320  1
  Al  Al12  1  0.848794  0.336249  0.331410  1
  Al  Al13  1  0.170173  0.632381  0.303027  1
  Al  Al14  1  0.146516  0.203896  0.347882  1
  Al  Al15  1  0.855988  0.702332  0.346752  1
  Al  Al16  1  0.841197  0.139331  0.303629  1
  Al  Al17  1  0.656525  0.685296  0.400206  1
  Al  Al18  1  0.655611  0.254318  0.446262  1
  Al  Al19  1  0.350798  0.754118  0.445945  1
  Al  Al20  1  0.350289  0.185560  0.400866  1
  Al  Al21  1  0.654473  0.053734  0.414925  1
  Al  Al22  1  0.655980  0.485780  0.369515  1
  Al  Al23  1  0.349083  0.983836  0.369211  1
  Al  Al24  1  0.352012  0.554731  0.414932  1
  Al  Al25  1  0.155870  0.968526  0.423602  1
  Al  Al26  1  0.154617  0.401077  0.377790  1
  Al  Al27  1  0.851066  0.899903  0.377617  1
  Al  Al28  1  0.851456  0.469819  0.423407  1
  Al  Al29  1  0.156287  0.769192  0.391948  1
  Al  Al30  1  0.155053  0.338204  0.437746  1
  Al  Al31  1  0.850075  0.837923  0.437500  1
  Al  Al32  1  0.852364  0.269207  0.392626  1
  Al  Al33  1  0.655693  0.822976  0.491712  1
  Al  Al34  1  0.654640  0.392523  0.537240  1
  Al  Al35  1  0.351045  0.891871  0.537301  1
  Al  Al36  1  0.351176  0.323374  0.491766  1
  Al  Al37  1  0.655170  0.191841  0.505922  1
  Al  Al38  1  0.655302  0.623343  0.460388  1
  Al  Al39  1  0.351707  0.122692  0.460449  1
  Al  Al40  1  0.350654  0.692239  0.505977  1
  Al  Al41  1  0.155188  0.107595  0.514506  1
  Al  Al42  1  0.155224  0.538907  0.468906  1
  Al  Al43  1  0.850911  0.038261  0.469067  1
  Al  Al44  1  0.850601  0.608046  0.514490  1
  Al  Al45  1  0.155746  0.907169  0.483199  1
  Al  Al46  1  0.155436  0.476954  0.528622  1
  Al  Al47  1  0.851122  0.976308  0.528783  1
  Al  Al48  1  0.851159  0.407620  0.483183  1
  Al  Al49  1  0.654334  0.960483  0.582757  1
  Al  Al50  1  0.657264  0.531379  0.628478  1
  Al  Al51  1  0.350367  0.029434  0.628174  1
  Al  Al52  1  0.351874  0.461481  0.582763  1
  Al  Al53  1  0.656057  0.329655  0.596823  1
  Al  Al54  1  0.655549  0.761097  0.551744  1
  Al  Al55  1  0.350736  0.260897  0.551427  1
  Al  Al56  1  0.349822  0.829918  0.597482  1
  Al  Al57  1  0.153982  0.246008  0.605063  1
  Al  Al58  1  0.156272  0.677292  0.560189  1
  Al  Al59  1  0.851293  0.177011  0.559942  1
  Al  Al60  1  0.850060  0.746023  0.605741  1
  Al  Al61  1  0.154890  0.045396  0.574281  1
  Al  Al62  1  0.155280  0.615312  0.620072  1
  Al  Al63  1  0.851729  0.114137  0.619899  1
  Al  Al64  1  0.850476  0.546689  0.574087  1
  Al  Al65  1  0.661313  0.097769  0.672927  1
  Al  Al66  1  0.640197  0.645351  0.713446  1
  Al  Al67  1  0.368131  0.161161  0.714346  1
  Al  Al68  1  0.347347  0.595831  0.673021  1
  Al  Al69  1  0.660586  0.464287  0.687173  1
  Al  Al70  1  0.654019  0.899017  0.642860  1
  Al  Al71  1  0.351905  0.399221  0.641397  1
  Al  Al72  1  0.351974  0.967302  0.687961  1
  Al  Al73  1  0.165150  0.375883  0.694060  1
  Al  Al74  1  0.150359  0.812882  0.650937  1
  Al  Al75  1  0.859831  0.311318  0.649807  1
  Al  Al76  1  0.836173  0.882833  0.694661  1
  Al  Al77  1  0.157553  0.178965  0.666279  1
  Al  Al78  1  0.132618  0.743729  0.706369  1
  Al  Al79  1  0.854975  0.247141  0.707932  1
  Al  Al80  1  0.848735  0.678331  0.666194  1
  Cu  Cu81  1  0.512495  0.731551  0.315156  1
  Cu  Cu82  1  0.500868  0.164504  0.271702  1
  Cu  Cu83  1  0.500234  0.799492  0.361399  1
  Cu  Cu84  1  0.491775  0.230794  0.318129  1
  Cu  Cu85  1  0.004192  0.017095  0.338903  1
  Cu  Cu86  1  0.010478  0.453447  0.290595  1
  Cu  Cu87  1  0.987051  0.960225  0.290274  1
  Cu  Cu88  1  0.997249  0.516404  0.338652  1
  Cu  Cu89  1  0.505239  0.869112  0.407327  1
  Cu  Cu90  1  0.508242  0.301575  0.362709  1
  Cu  Cu91  1  0.502360  0.937999  0.453223  1
  Cu  Cu92  1  0.500993  0.370219  0.407953  1
  Cu  Cu93  1  0.004655  0.152994  0.430687  1
  Cu  Cu94  1  0.006758  0.584653  0.384704  1
  Cu  Cu95  1  1.002737  0.083054  0.385217  1
  Cu  Cu96  1  1.001079  0.653922  0.430313  1
  Cu  Cu97  1  0.504526  0.007142  0.498785  1
  Cu  Cu98  1  0.504697  0.438819  0.453362  1
  Cu  Cu99  1  0.501649  0.076395  0.544327  1
  Cu  Cu100  1  0.501820  0.508072  0.498904  1
  Cu  Cu101  1  0.004324  0.292368  0.521615  1
  Cu  Cu102  1  0.005063  0.723212  0.476029  1
  Cu  Cu103  1  1.002023  0.222847  0.476074  1
  Cu  Cu104  1  1.001284  0.792003  0.521660  1
  Cu  Cu105  1  0.505354  0.144996  0.589736  1
  Cu  Cu106  1  0.503987  0.577216  0.544466  1
  Cu  Cu107  1  0.498104  0.213639  0.634980  1
  Cu  Cu108  1  0.501107  0.646103  0.590362  1
  Cu  Cu109  1  0.003610  0.432160  0.612472  1
  Cu  Cu110  1  0.005268  0.861293  0.567375  1
  Cu  Cu111  1  1.001691  0.362220  0.567001  1
  Cu  Cu112  1  0.999588  0.930561  0.612985  1
  Cu  Cu113  1  0.514571  0.284421  0.679559  1
  Cu  Cu114  1  0.506112  0.715722  0.636289  1
  Cu  Cu115  1  0.505479  0.350711  0.725987  1
  Cu  Cu116  1  0.493852  0.783664  0.682533  1
  Cu  Cu117  1  0.019296  0.554990  0.707415  1
  Cu  Cu118  1  0.009098  0.998811  0.659037  1
  Cu  Cu119  1  1.002154  0.498119  0.658786  1
  Cu  Cu120  1  0.995868  0.061768  0.707093  1
