# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22648473
_cell_length_b   13.00935793
_cell_length_c   45.64988314
_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   2510.00644873
_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  0.080049  0.818535  0.326826  1
  Al  Al2  1  0.919747  0.425587  0.350097  1
  Al  Al3  1  0.079779  0.030385  0.341103  1
  Al  Al4  1  0.584673  0.955651  0.306707  1
  Al  Al5  1  0.151424  0.605219  0.328105  1
  Al  Al6  1  0.595163  0.185955  0.320430  1
  Al  Al7  1  0.031008  0.794961  0.387741  1
  Al  Al8  1  0.969484  0.559008  0.402539  1
  Al  Al9  1  0.047228  0.014453  0.405322  1
  Al  Al10  1  0.559318  0.888228  0.359845  1
  Al  Al11  1  0.489763  0.681339  0.405647  1
  Al  Al12  1  0.315129  0.282231  0.368359  1
  Al  Al13  1  0.010530  0.867312  0.454859  1
  Al  Al14  1  0.972844  0.587932  0.466460  1
  Al  Al15  1  0.978211  0.199769  0.445734  1
  Al  Al16  1  0.518768  0.022099  0.449486  1
  Al  Al17  1  0.487799  0.728549  0.460659  1
  Al  Al18  1  0.793799  0.358498  0.406117  1
  Al  Al19  1  0.013187  0.921416  0.532647  1
  Al  Al20  1  0.994154  0.532796  0.538762  1
  Al  Al21  1  0.001238  0.282858  0.500174  1
  Al  Al22  1  0.009883  0.049313  0.487619  1
  Al  Al23  1  0.972916  0.728634  0.513429  1
  Al  Al24  1  0.482038  0.347052  0.460128  1
  Al  Al25  1  0.010580  0.924450  0.593078  1
  Al  Al26  1  0.994113  0.705492  0.584027  1
  Al  Al27  1  0.020029  0.329979  0.557262  1
  Al  Al28  1  0.014337  0.121837  0.550389  1
  Al  Al29  1  0.510887  0.833455  0.555868  1
  Al  Al30  1  0.503376  0.413509  0.518233  1
  Al  Al31  1  0.022671  0.127590  0.609664  1
  Al  Al32  1  0.976844  0.662938  0.644565  1
  Al  Al33  1  0.040483  0.343062  0.614416  1
  Al  Al34  1  0.525807  0.209461  0.643444  1
  Al  Al35  1  0.502115  0.803701  0.614831  1
  Al  Al36  1  0.525478  0.443681  0.579126  1
  Al  Al37  1  0.018591  0.083779  0.668146  1
  Al  Al38  1  0.002708  0.879393  0.651810  1
  Al  Al39  1  0.028042  0.299201  0.672127  1
  Al  Al40  1  0.521244  0.174353  0.699910  1
  Al  Al41  1  0.513558  0.962629  0.687311  1
  Al  Al42  1  0.462552  0.568618  0.672094  1
  Cu  Cu43  1  0.581832  0.743244  0.302898  1
  Cu  Cu44  1  0.422131  0.412275  0.320660  1
  Cu  Cu45  1  0.578113  0.084091  0.372453  1
  Cu  Cu46  1  0.654659  0.678857  0.352952  1
  Cu  Cu47  1  0.441197  0.502813  0.373496  1
  Cu  Cu48  1  0.469836  0.186092  0.416189  1
  Cu  Cu49  1  0.531334  0.875253  0.415924  1
  Cu  Cu50  1  0.468090  0.520553  0.437631  1
  Cu  Cu51  1  0.497561  0.173188  0.483417  1
  Cu  Cu52  1  0.510674  0.879864  0.495039  1
  Cu  Cu53  1  0.472652  0.600266  0.502341  1
  Cu  Cu54  1  0.513591  0.226614  0.535089  1
  Cu  Cu55  1  0.513413  0.038871  0.523450  1
  Cu  Cu56  1  0.492965  0.635274  0.556285  1
  Cu  Cu57  1  0.528624  0.237759  0.588181  1
  Cu  Cu58  1  0.514828  0.039105  0.578001  1
  Cu  Cu59  1  0.477253  0.601312  0.613594  1
  Cu  Cu60  1  0.545074  0.416545  0.638693  1
  Cu  Cu61  1  0.513584  0.004272  0.631892  1
  Cu  Cu62  1  0.491979  0.766613  0.670027  1
  Cu  Cu63  1  0.528312  0.380011  0.693041  1
