# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62604493
_cell_length_b   7.79973303
_cell_length_c   48.63366462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.54775256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al56 Cu28'
_cell_volume   2727.06348013
_cell_formula_units_Z   28
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  0.317425  0.825879  0.275870  1
  Al  Al2  1  0.357123  0.210068  0.288243  1
  Al  Al3  1  0.214702  0.925471  0.327110  1
  Al  Al4  1  0.012543  0.825873  0.275878  1
  Al  Al5  1  0.946330  0.077187  0.305799  1
  Al  Al6  1  0.992542  0.481016  0.316686  1
  Al  Al7  1  0.584890  0.665801  0.292802  1
  Al  Al8  1  0.634806  0.077085  0.305799  1
  Al  Al9  1  0.578212  0.344717  0.337224  1
  Al  Al10  1  0.632444  0.760892  0.351485  1
  Al  Al11  1  0.500571  0.497258  0.392226  1
  Al  Al12  1  0.270398  0.344542  0.337226  1
  Al  Al13  1  0.218666  0.629183  0.371943  1
  Al  Al14  1  0.272945  0.041917  0.384963  1
  Al  Al15  1  0.862158  0.220427  0.358370  1
  Al  Al16  1  0.914373  0.629018  0.371942  1
  Al  Al17  1  0.860129  0.911065  0.405338  1
  Al  Al18  1  0.913052  0.322133  0.417759  1
  Al  Al19  1  0.781568  0.059265  0.458995  1
  Al  Al20  1  0.554798  0.910909  0.405332  1
  Al  Al21  1  0.499842  0.190258  0.438430  1
  Al  Al22  1  0.553661  0.603349  0.451506  1
  Al  Al23  1  0.140256  0.776645  0.425786  1
  Al  Al24  1  0.194267  0.190100  0.438425  1
  Al  Al25  1  0.139964  0.470930  0.471963  1
  Al  Al26  1  0.193840  0.883705  0.484952  1
  Al  Al27  1  0.061373  0.618849  0.525812  1
  Al  Al28  1  0.834809  0.470762  0.471958  1
  Al  Al29  1  0.780256  0.751509  0.505388  1
  Al  Al30  1  0.833646  0.163327  0.518332  1
  Al  Al31  1  0.421371  0.338866  0.492416  1
  Al  Al32  1  0.475093  0.751337  0.505382  1
  Al  Al33  1  0.420621  0.031955  0.538869  1
  Al  Al34  1  0.474086  0.444212  0.551662  1
  Al  Al35  1  0.342031  0.180138  0.592723  1
  Al  Al36  1  0.115166  0.031772  0.538865  1
  Al  Al37  1  0.060485  0.311396  0.572161  1
  Al  Al38  1  0.114976  0.726008  0.584881  1
  Al  Al39  1  0.701885  0.899851  0.559439  1
  Al  Al40  1  0.754760  0.311216  0.572160  1
  Al  Al41  1  0.699774  0.590521  0.605316  1
  Al  Al42  1  0.751061  0.998177  0.618864  1
  Al  Al43  1  0.624179  0.744503  0.661150  1
  Al  Al44  1  0.394573  0.590333  0.605315  1
  Al  Al45  1  0.341890  0.873569  0.639696  1
  Al  Al46  1  0.398028  0.292121  0.650257  1
  Al  Al47  1  0.982553  0.461194  0.625432  1
  Al  Al48  1  0.035502  0.873388  0.639698  1
  Al  Al49  1  0.981511  0.144594  0.673125  1
  Al  Al50  1  0.031836  0.559751  0.682154  1
  Al  Al51  1  0.890612  0.277580  0.720528  1
  Al  Al52  1  0.666862  0.144475  0.673130  1
  Al  Al53  1  0.617208  0.421405  0.704220  1
  Al  Al54  1  0.677700  0.851551  0.716187  1
  Al  Al55  1  0.268645  0.033521  0.690938  1
  Al  Al56  1  0.307921  0.421258  0.704223  1
  Cu  Cu57  1  0.849984  0.699221  0.321956  1
  Cu  Cu58  1  0.722987  0.431913  0.284494  1
  Cu  Cu59  1  0.212992  0.431888  0.284492  1
  Cu  Cu60  1  0.353218  0.699192  0.321967  1
  Cu  Cu61  1  0.138775  0.270328  0.388007  1
  Cu  Cu62  1  0.992751  0.986345  0.355188  1
  Cu  Cu63  1  0.497534  0.986359  0.355173  1
  Cu  Cu64  1  0.635462  0.270296  0.388019  1
  Cu  Cu65  1  0.418218  0.830571  0.455303  1
  Cu  Cu66  1  0.276032  0.549556  0.421869  1
  Cu  Cu67  1  0.777461  0.549587  0.421858  1
  Cu  Cu68  1  0.916249  0.830502  0.455316  1
  Cu  Cu69  1  0.698719  0.391519  0.522066  1
  Cu  Cu70  1  0.556487  0.111145  0.488659  1
  Cu  Cu71  1  0.058609  0.111192  0.488646  1
  Cu  Cu72  1  0.196712  0.391497  0.522083  1
  Cu  Cu73  1  0.979059  0.951452  0.589143  1
  Cu  Cu74  1  0.837052  0.672146  0.555434  1
  Cu  Cu75  1  0.339004  0.672107  0.555408  1
  Cu  Cu76  1  0.476376  0.951537  0.589169  1
  Cu  Cu77  1  0.263935  0.516441  0.655344  1
  Cu  Cu78  1  0.113300  0.231251  0.622543  1
  Cu  Cu79  1  0.621850  0.231145  0.622516  1
  Cu  Cu80  1  0.756474  0.516494  0.655366  1
  Cu  Cu81  1  0.528808  0.073517  0.725378  1
  Cu  Cu82  1  0.386260  0.788557  0.691541  1
  Cu  Cu83  1  0.906160  0.788538  0.691530  1
  Cu  Cu84  1  0.048449  0.073492  0.725383  1
