# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29047952
_cell_length_b   8.03164118
_cell_length_c   48.06559867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.99052116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al54 Cu18'
_cell_volume   2398.45153908
_cell_formula_units_Z   18
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  0.212719  0.932473  0.286187  1
  Al  Al2  1  0.622941  0.873721  0.308824  1
  Al  Al3  1  0.871197  0.130066  0.310997  1
  Al  Al4  1  0.454980  0.199613  0.288147  1
  Al  Al5  1  0.970615  0.663572  0.286090  1
  Al  Al6  1  0.377195  0.607059  0.308728  1
  Al  Al7  1  0.038906  0.823565  0.335569  1
  Al  Al8  1  0.446109  0.774348  0.360367  1
  Al  Al9  1  0.695515  0.034408  0.361090  1
  Al  Al10  1  0.286380  0.086919  0.336563  1
  Al  Al11  1  0.787315  0.568423  0.336442  1
  Al  Al12  1  0.201645  0.511207  0.360387  1
  Al  Al13  1  0.858638  0.725530  0.386531  1
  Al  Al14  1  0.268261  0.674181  0.411154  1
  Al  Al15  1  0.514739  0.936978  0.411701  1
  Al  Al16  1  0.105155  0.988630  0.386630  1
  Al  Al17  1  0.611182  0.461298  0.385732  1
  Al  Al18  1  0.021477  0.407996  0.410017  1
  Al  Al19  1  0.678493  0.623212  0.436404  1
  Al  Al20  1  0.088066  0.572297  0.461133  1
  Al  Al21  1  0.335158  0.836394  0.462053  1
  Al  Al22  1  0.925139  0.887942  0.437081  1
  Al  Al23  1  0.430738  0.358561  0.435281  1
  Al  Al24  1  0.840768  0.307579  0.460140  1
  Al  Al25  1  0.498061  0.522037  0.486347  1
  Al  Al26  1  0.907846  0.471766  0.511235  1
  Al  Al27  1  0.155332  0.735660  0.512190  1
  Al  Al28  1  0.745299  0.786522  0.487222  1
  Al  Al29  1  0.250575  0.258143  0.485392  1
  Al  Al30  1  0.660609  0.207282  0.510360  1
  Al  Al31  1  0.317842  0.421506  0.536449  1
  Al  Al32  1  0.727414  0.370591  0.561178  1
  Al  Al33  1  0.975169  0.635242  0.562301  1
  Al  Al34  1  0.565140  0.686224  0.537442  1
  Al  Al35  1  0.070749  0.157409  0.535529  1
  Al  Al36  1  0.480768  0.105862  0.560501  1
  Al  Al37  1  0.137646  0.319622  0.586428  1
  Al  Al38  1  0.547269  0.268274  0.611051  1
  Al  Al39  1  0.794725  0.532505  0.611849  1
  Al  Al40  1  0.384431  0.585807  0.587565  1
  Al  Al41  1  0.891168  0.056826  0.585880  1
  Al  Al42  1  0.300752  0.005174  0.610952  1
  Al  Al43  1  0.959799  0.219455  0.637215  1
  Al  Al44  1  0.367002  0.170238  0.662013  1
  Al  Al45  1  0.618592  0.425380  0.661140  1
  Al  Al46  1  0.204263  0.482596  0.637194  1
  Al  Al47  1  0.710392  0.959396  0.636492  1
  Al  Al48  1  0.119527  0.906884  0.661019  1
  Al  Al49  1  0.782966  0.120083  0.688758  1
  Al  Al50  1  0.193189  0.061331  0.711395  1
  Al  Al51  1  0.435292  0.330231  0.711492  1
  Al  Al52  1  0.028712  0.386745  0.688854  1
  Al  Al53  1  0.534710  0.863737  0.686585  1
  Al  Al54  1  0.950928  0.794190  0.709435  1
  Cu  Cu55  1  0.117548  0.372557  0.312829  1
  Cu  Cu56  1  0.728179  0.422286  0.289888  1
  Cu  Cu57  1  0.945095  0.273477  0.360509  1
  Cu  Cu58  1  0.540601  0.325442  0.336829  1
  Cu  Cu59  1  0.767104  0.172310  0.410654  1
  Cu  Cu60  1  0.359859  0.223307  0.385764  1
  Cu  Cu61  1  0.587318  0.072156  0.461093  1
  Cu  Cu62  1  0.178609  0.122532  0.436043  1
  Cu  Cu63  1  0.407601  0.971655  0.511275  1
  Cu  Cu64  1  0.998306  0.022148  0.486307  1
  Cu  Cu65  1  0.227298  0.871271  0.561539  1
  Cu  Cu66  1  0.818589  0.921647  0.536489  1
  Cu  Cu67  1  0.046049  0.770496  0.611817  1
  Cu  Cu68  1  0.638804  0.821493  0.586928  1
  Cu  Cu69  1  0.865307  0.668361  0.660753  1
  Cu  Cu70  1  0.460813  0.720326  0.637073  1
  Cu  Cu71  1  0.677729  0.571518  0.707693  1
  Cu  Cu72  1  0.288359  0.621246  0.684752  1
