# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98287940
_cell_length_b   15.18597096
_cell_length_c   47.96050606
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.46492691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al66 Cu22'
_cell_volume   2876.25218136
_cell_formula_units_Z   22
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  0.357265  0.147765  0.273762  1
  Al  Al2  1  0.601375  0.636445  0.293602  1
  Al  Al3  1  0.921695  0.276714  0.279689  1
  Al  Al4  1  0.166557  0.766459  0.299287  1
  Al  Al5  1  0.792137  0.017308  0.270665  1
  Al  Al6  1  0.036001  0.505922  0.289001  1
  Al  Al7  1  0.847252  0.127875  0.315416  1
  Al  Al8  1  0.092831  0.619338  0.335457  1
  Al  Al9  1  0.411231  0.255858  0.321670  1
  Al  Al10  1  0.656288  0.746122  0.341588  1
  Al  Al11  1  0.281017  0.995531  0.309188  1
  Al  Al12  1  0.528848  0.491466  0.331313  1
  Al  Al13  1  0.337357  0.108348  0.357250  1
  Al  Al14  1  0.583711  0.601149  0.378404  1
  Al  Al15  1  0.903224  0.239882  0.363125  1
  Al  Al16  1  0.148398  0.730381  0.383612  1
  Al  Al17  1  0.772806  0.979389  0.351815  1
  Al  Al18  1  0.018842  0.471537  0.372861  1
  Al  Al19  1  0.828845  0.091447  0.399109  1
  Al  Al20  1  0.074649  0.583101  0.420291  1
  Al  Al21  1  0.394519  0.222570  0.404585  1
  Al  Al22  1  0.639881  0.713391  0.425618  1
  Al  Al23  1  0.263125  0.960228  0.393388  1
  Al  Al24  1  0.509330  0.452646  0.414588  1
  Al  Al25  1  0.319815  0.073503  0.440692  1
  Al  Al26  1  0.565701  0.565298  0.462057  1
  Al  Al27  1  0.885395  0.204443  0.446330  1
  Al  Al28  1  0.130990  0.695681  0.467544  1
  Al  Al29  1  0.754231  0.942560  0.435056  1
  Al  Al30  1  1.000279  0.434669  0.456403  1
  Al  Al31  1  0.810775  0.055535  0.482434  1
  Al  Al32  1  0.056845  0.547694  0.503871  1
  Al  Al33  1  0.376141  0.186067  0.488047  1
  Al  Al34  1  0.622227  0.678235  0.509452  1
  Al  Al35  1  0.245516  0.925216  0.476945  1
  Al  Al36  1  0.491265  0.416770  0.498123  1
  Al  Al37  1  0.301784  0.037658  0.524327  1
  Al  Al38  1  0.547958  0.530044  0.545562  1
  Al  Al39  1  0.867010  0.167923  0.529827  1
  Al  Al40  1  0.113596  0.661066  0.551384  1
  Al  Al41  1  0.736667  0.907599  0.518879  1
  Al  Al42  1  0.982114  0.398601  0.539721  1
  Al  Al43  1  0.792740  0.019662  0.566207  1
  Al  Al44  1  0.038821  0.511913  0.586921  1
  Al  Al45  1  0.358080  0.150158  0.571681  1
  Al  Al46  1  0.604805  0.643625  0.593211  1
  Al  Al47  1  0.227714  0.889773  0.560895  1
  Al  Al48  1  0.472802  0.380088  0.581238  1
  Al  Al49  1  0.283751  1.001742  0.608095  1
  Al  Al50  1  0.529184  0.492789  0.628152  1
  Al  Al51  1  0.849024  0.132129  0.613376  1
  Al  Al52  1  0.094960  0.624193  0.634496  1
  Al  Al53  1  0.718971  0.872350  0.603166  1
  Al  Al54  1  0.964071  0.362668  0.622860  1
  Al  Al55  1  0.775643  0.985518  0.650712  1
  Al  Al56  1  0.019465  0.473486  0.670797  1
  Al  Al57  1  0.339355  0.112873  0.654988  1
  Al  Al58  1  0.583359  0.601325  0.675003  1
  Al  Al59  1  0.210997  0.856444  0.645345  1
  Al  Al60  1  0.456335  0.347196  0.664623  1
  Al  Al61  1  0.267581  0.969425  0.693074  1
  Al  Al62  1  0.510658  0.455966  0.712750  1
  Al  Al63  1  0.832193  0.098454  0.697478  1
  Al  Al64  1  0.075225  0.585359  0.717071  1
  Al  Al65  1  0.703667  0.841824  0.686976  1
  Al  Al66  1  0.945995  0.326622  0.706857  1
  Cu  Cu67  1  0.723168  0.879753  0.306919  1
  Cu  Cu68  1  0.478129  0.389882  0.287663  1
  Cu  Cu69  1  0.214462  0.862569  0.346715  1
  Cu  Cu70  1  0.970014  0.373608  0.326697  1
  Cu  Cu71  1  0.705676  0.845139  0.388185  1
  Cu  Cu72  1  0.461255  0.356141  0.367689  1
  Cu  Cu73  1  0.196940  0.827753  0.430309  1
  Cu  Cu74  1  0.952052  0.337855  0.409574  1
  Cu  Cu75  1  0.688245  0.810433  0.472262  1
  Cu  Cu76  1  0.442833  0.319549  0.451380  1
  Cu  Cu77  1  0.179499  0.793016  0.514146  1
  Cu  Cu78  1  0.933643  0.301304  0.493085  1
  Cu  Cu79  1  0.670813  0.775721  0.556175  1
  Cu  Cu80  1  0.424445  0.283036  0.534687  1
  Cu  Cu81  1  0.162125  0.758445  0.598396  1
  Cu  Cu82  1  0.915382  0.265007  0.576435  1
  Cu  Cu83  1  0.653115  0.740619  0.640563  1
  Cu  Cu84  1  0.406499  0.247303  0.618434  1
  Cu  Cu85  1  0.143566  0.721951  0.680842  1
  Cu  Cu86  1  0.897890  0.230132  0.659650  1
  Cu  Cu87  1  0.633040  0.701674  0.717487  1
  Cu  Cu88  1  0.389746  0.213844  0.698829  1
