# generated using pymatgen
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20969016
_cell_length_b   12.27814038
_cell_length_c   51.39414346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.12901084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu2
_chemical_formula_sum   'Al45 Cu30'
_cell_volume   2617.09272891
_cell_formula_units_Z   15
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  0.359476  0.281048  0.306061  1
  Al  Al2  1  0.995728  0.008544  0.336364  1
  Al  Al3  1  0.723224  0.553551  0.275758  1
  Al  Al4  1  0.937162  0.125676  0.284011  1
  Al  Al5  1  0.573414  0.853172  0.314315  1
  Al  Al6  1  0.209666  0.580669  0.344618  1
  Al  Al7  1  0.418042  0.163917  0.358413  1
  Al  Al8  1  0.145538  0.708924  0.297807  1
  Al  Al9  1  0.781790  0.436420  0.328110  1
  Al  Al10  1  0.268231  0.463537  0.396970  1
  Al  Al11  1  0.904483  0.191034  0.427273  1
  Al  Al12  1  0.631980  0.736041  0.366667  1
  Al  Al13  1  0.845917  0.308165  0.374921  1
  Al  Al14  1  0.482169  0.035662  0.405224  1
  Al  Al15  1  0.118421  0.763158  0.435527  1
  Al  Al16  1  0.326797  0.346406  0.449322  1
  Al  Al17  1  0.054293  0.891413  0.388716  1
  Al  Al18  1  0.690545  0.618910  0.419019  1
  Al  Al19  1  0.176987  0.646027  0.487879  1
  Al  Al20  1  0.813238  0.373523  0.518182  1
  Al  Al21  1  0.540735  0.918530  0.457576  1
  Al  Al22  1  0.754673  0.490655  0.465830  1
  Al  Al23  1  0.390924  0.218151  0.496133  1
  Al  Al24  1  0.027176  0.945648  0.526436  1
  Al  Al25  1  0.235552  0.528896  0.540231  1
  Al  Al26  1  0.963049  0.073903  0.479625  1
  Al  Al27  1  0.599300  0.801399  0.509928  1
  Al  Al28  1  0.085742  0.828516  0.578788  1
  Al  Al29  1  0.721994  0.556013  0.609091  1
  Al  Al30  1  0.449490  0.101020  0.548485  1
  Al  Al31  1  0.663428  0.673144  0.556739  1
  Al  Al32  1  0.299680  0.400641  0.587042  1
  Al  Al33  1  0.935931  0.128137  0.617345  1
  Al  Al34  1  0.144307  0.711385  0.631140  1
  Al  Al35  1  0.871804  0.256392  0.570534  1
  Al  Al36  1  0.508056  0.983889  0.600837  1
  Al  Al37  1  0.994497  0.011006  0.669697  1
  Al  Al38  1  0.630749  0.738502  0.700000  1
  Al  Al39  1  0.358245  0.283509  0.639394  1
  Al  Al40  1  0.572183  0.855634  0.647648  1
  Al  Al41  1  0.208435  0.583130  0.677951  1
  Al  Al42  1  0.844687  0.310627  0.708254  1
  Al  Al43  1  0.053063  0.893875  0.722049  1
  Al  Al44  1  0.780559  0.438882  0.661443  1
  Al  Al45  1  0.416811  0.166378  0.691746  1
  Cu  Cu46  1  0.891296  0.217408  0.329709  1
  Cu  Cu47  1  0.527548  0.944905  0.360012  1
  Cu  Cu48  1  0.255044  0.489912  0.299406  1
  Cu  Cu49  1  0.463908  0.072184  0.312715  1
  Cu  Cu50  1  0.100160  0.799681  0.343018  1
  Cu  Cu51  1  0.827656  0.344688  0.282412  1
  Cu  Cu52  1  0.800051  0.399898  0.420618  1
  Cu  Cu53  1  0.436303  0.127394  0.450921  1
  Cu  Cu54  1  0.163799  0.672401  0.390315  1
  Cu  Cu55  1  0.372663  0.254674  0.403624  1
  Cu  Cu56  1  0.008915  0.982170  0.433927  1
  Cu  Cu57  1  0.736411  0.527177  0.373321  1
  Cu  Cu58  1  0.708806  0.582387  0.511527  1
  Cu  Cu59  1  0.345058  0.309884  0.541830  1
  Cu  Cu60  1  0.072555  0.854891  0.481224  1
  Cu  Cu61  1  0.281418  0.437163  0.494533  1
  Cu  Cu62  1  0.917670  0.164660  0.524836  1
  Cu  Cu63  1  0.645167  0.709667  0.464230  1
  Cu  Cu64  1  0.617562  0.764877  0.602436  1
  Cu  Cu65  1  0.253813  0.492373  0.632739  1
  Cu  Cu66  1  0.981310  0.037380  0.572133  1
  Cu  Cu67  1  0.190174  0.619653  0.585443  1
  Cu  Cu68  1  0.826425  0.347149  0.615746  1
  Cu  Cu69  1  0.553922  0.892156  0.555140  1
  Cu  Cu70  1  0.526317  0.947366  0.693345  1
  Cu  Cu71  1  0.162569  0.674863  0.723648  1
  Cu  Cu72  1  0.890065  0.219870  0.663042  1
  Cu  Cu73  1  0.098929  0.802142  0.676352  1
  Cu  Cu74  1  0.735181  0.529639  0.706655  1
  Cu  Cu75  1  0.462677  0.074646  0.646049  1
