# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22638409
_cell_length_b   12.21985919
_cell_length_c   48.83415061
_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   'Al42 Cu21'
_cell_volume   2522.07967706
_cell_formula_units_Z   21
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  0.060415  0.381856  0.360856  1
  Al  Al2  1  0.060249  0.843582  0.383042  1
  Al  Al3  1  0.060491  0.220178  0.322655  1
  Al  Al4  1  0.060503  0.642472  0.350414  1
  Al  Al5  1  0.060526  0.886808  0.327326  1
  Al  Al6  1  0.560448  0.062827  0.322220  1
  Al  Al7  1  0.059960  0.216698  0.400705  1
  Al  Al8  1  0.059944  0.534815  0.401640  1
  Al  Al9  1  0.060185  0.060040  0.362094  1
  Al  Al10  1  0.560262  0.222183  0.362355  1
  Al  Al11  1  0.560375  0.704289  0.384412  1
  Al  Al12  1  0.559798  0.868995  0.420531  1
  Al  Al13  1  0.059357  0.896702  0.477801  1
  Al  Al14  1  0.059867  0.324743  0.446717  1
  Al  Al15  1  0.059717  0.745956  0.433141  1
  Al  Al16  1  0.059676  0.014319  0.426505  1
  Al  Al17  1  0.559984  0.375590  0.404905  1
  Al  Al18  1  0.059768  0.559653  0.459171  1
  Al  Al19  1  0.060180  0.695667  0.501200  1
  Al  Al20  1  0.060181  0.129329  0.474987  1
  Al  Al21  1  0.061535  0.416571  0.499062  1
  Al  Al22  1  0.559505  0.858670  0.514168  1
  Al  Al23  1  0.562354  0.269179  0.489608  1
  Al  Al24  1  0.564564  0.387121  0.537763  1
  Al  Al25  1  0.070164  0.367529  0.577140  1
  Al  Al26  1  0.059988  0.792858  0.550893  1
  Al  Al27  1  0.066688  0.227608  0.526823  1
  Al  Al28  1  0.063051  0.546458  0.544129  1
  Al  Al29  1  0.060506  0.001238  0.532115  1
  Al  Al30  1  0.074268  0.118446  0.580360  1
  Al  Al31  1  0.109246  0.160282  0.634356  1
  Al  Al32  1  0.056996  0.619888  0.600275  1
  Al  Al33  1  0.065643  0.908816  0.598531  1
  Al  Al34  1  0.582784  0.259346  0.598597  1
  Al  Al35  1  0.559521  0.751128  0.584452  1
  Al  Al36  1  0.561008  0.852255  0.631046  1
  Al  Al37  1  0.063115  0.945686  0.656373  1
  Al  Al38  1  0.926569  0.492658  0.657263  1
  Al  Al39  1  0.045254  0.721663  0.656381  1
  Al  Al40  1  0.568003  0.065095  0.667721  1
  Al  Al41  1  0.391900  0.433992  0.625812  1
  Al  Al42  1  0.500308  0.614859  0.684510  1
  Cu  Cu43  1  0.560588  0.754635  0.332903  1
  Cu  Cu44  1  0.560301  0.923125  0.361720  1
  Cu  Cu45  1  0.560553  0.368490  0.325786  1
  Cu  Cu46  1  0.560388  0.512947  0.363361  1
  Cu  Cu47  1  0.559763  0.603652  0.429423  1
  Cu  Cu48  1  0.559814  0.066431  0.397967  1
  Cu  Cu49  1  0.559782  0.191828  0.438418  1
  Cu  Cu50  1  0.559786  0.431243  0.456462  1
  Cu  Cu51  1  0.559700  0.742696  0.468306  1
  Cu  Cu52  1  0.559544  0.002493  0.460363  1
  Cu  Cu53  1  0.560068  0.071470  0.507326  1
  Cu  Cu54  1  0.560467  0.553656  0.496257  1
  Cu  Cu55  1  0.561583  0.665015  0.537266  1
  Cu  Cu56  1  0.562557  0.957860  0.564507  1
  Cu  Cu57  1  0.569538  0.163354  0.551981  1
  Cu  Cu58  1  0.566011  0.523174  0.579234  1
  Cu  Cu59  1  0.550367  0.636428  0.631604  1
  Cu  Cu60  1  0.585969  0.050897  0.612143  1
  Cu  Cu61  1  0.639633  0.267870  0.651661  1
  Cu  Cu62  1  0.414454  0.407301  0.681414  1
  Cu  Cu63  1  0.554281  0.829949  0.681844  1
