# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25669219
_cell_length_b   18.08860976
_cell_length_c   51.30207323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al36 Cu108'
_cell_volume   3950.13876386
_cell_formula_units_Z   36
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  0.501912  0.607911  0.345022  1
  Al  Al2  1  0.501912  0.365652  0.291127  1
  Al  Al3  1  0.501912  0.981553  0.316748  1
  Al  Al4  1  1.001912  0.901615  0.266571  1
  Al  Al5  1  1.001912  0.517634  0.291691  1
  Al  Al6  1  0.001912  0.151235  0.319309  1
  Al  Al7  1  0.501912  0.482008  0.421327  1
  Al  Al8  1  0.501912  0.232296  0.369543  1
  Al  Al9  1  0.501912  0.858123  0.395203  1
  Al  Al10  1  1.001912  0.770848  0.344387  1
  Al  Al11  1  1.001912  0.397776  0.370752  1
  Al  Al12  1  1.001912  0.021414  0.395452  1
  Al  Al13  1  0.501912  0.357002  0.498124  1
  Al  Al14  1  0.501912  0.107132  0.446594  1
  Al  Al15  1  0.501912  0.732603  0.472508  1
  Al  Al16  1  1.001912  0.647786  0.422117  1
  Al  Al17  1  1.001912  0.271585  0.447258  1
  Al  Al18  1  1.001912  0.897152  0.473101  1
  Al  Al19  1  0.501912  0.231433  0.574754  1
  Al  Al20  1  0.501912  0.982068  0.523770  1
  Al  Al21  1  0.501912  0.607635  0.549613  1
  Al  Al22  1  1.001912  0.522218  0.498747  1
  Al  Al23  1  1.001912  0.146617  0.524364  1
  Al  Al24  1  1.001912  0.772087  0.550278  1
  Al  Al25  1  0.501912  0.108372  0.652484  1
  Al  Al26  1  0.501912  0.857806  0.601419  1
  Al  Al27  1  0.501912  0.481444  0.626119  1
  Al  Al28  1  1.001912  0.397212  0.575545  1
  Al  Al29  1  0.001912  0.021097  0.601668  1
  Al  Al30  1  0.001912  0.646924  0.627328  1
  Al  Al31  1  0.501912  0.977605  0.730300  1
  Al  Al32  1  0.501912  0.727985  0.677563  1
  Al  Al33  1  0.501912  0.361586  0.705180  1
  Al  Al34  1  1.001912  0.271309  0.651849  1
  Al  Al35  1  0.001912  0.897667  0.680123  1
  Al  Al36  1  1.001912  0.513568  0.705744  1
  Cu  Cu37  1  0.501912  0.851311  0.294210  1
  Cu  Cu38  1  0.501912  0.483237  0.320018  1
  Cu  Cu39  1  0.501912  0.232346  0.269997  1
  Cu  Cu40  1  1.001912  0.644903  0.319216  1
  Cu  Cu41  1  1.001912  0.275629  0.344097  1
  Cu  Cu42  1  1.001912  0.028008  0.292659  1
  Cu  Cu43  1  0.501912  0.606410  0.293353  1
  Cu  Cu44  1  0.501912  0.236947  0.318432  1
  Cu  Cu45  1  0.501912  0.856095  0.343788  1
  Cu  Cu46  1  0.501912  0.729568  0.317468  1
  Cu  Cu47  1  0.501912  0.359016  0.343750  1
  Cu  Cu48  1  0.501912  0.110033  0.292921  1
  Cu  Cu49  1  1.001912  0.651543  0.271505  1
  Cu  Cu50  1  1.001912  0.278112  0.293604  1
  Cu  Cu51  1  1.001912  0.897318  0.318965  1
  Cu  Cu52  1  1.001912  0.772004  0.293881  1
  Cu  Cu53  1  1.001912  0.398245  0.319628  1
  Cu  Cu54  1  1.001912  0.155056  0.269299  1
  Cu  Cu55  1  0.501912  0.731212  0.370869  1
  Cu  Cu56  1  0.501912  0.355214  0.396527  1
  Cu  Cu57  1  0.501912  0.105586  0.344524  1
  Cu  Cu58  1  1.001912  0.524367  0.395168  1
  Cu  Cu59  1  1.001912  0.148153  0.420361  1
  Cu  Cu60  1  1.001912  0.898491  0.368864  1
  Cu  Cu61  1  0.501912  0.482255  0.370170  1
  Cu  Cu62  1  0.501912  0.106375  0.395060  1
  Cu  Cu63  1  0.501912  0.732688  0.421161  1
  Cu  Cu64  1  0.501912  0.607629  0.396071  1
  Cu  Cu65  1  0.501912  0.231667  0.420949  1
  Cu  Cu66  1  0.501912  0.982088  0.368691  1
  Cu  Cu67  1  1.001912  0.522232  0.344574  1
  Cu  Cu68  1  1.001912  0.147347  0.370206  1
  Cu  Cu69  1  1.001912  0.773034  0.395958  1
  Cu  Cu70  1  1.001912  0.647468  0.371016  1
  Cu  Cu71  1  1.001912  0.271983  0.396025  1
  Cu  Cu72  1  1.001912  0.022715  0.343911  1
  Cu  Cu73  1  0.501912  0.605556  0.448147  1
  Cu  Cu74  1  0.501912  0.230182  0.473439  1
  Cu  Cu75  1  0.501912  0.980873  0.421851  1
  Cu  Cu76  1  1.001912  0.398691  0.471933  1
  Cu  Cu77  1  1.001912  0.023592  0.497557  1
  Cu  Cu78  1  1.001912  0.774361  0.446360  1
  Cu  Cu79  1  0.501912  0.356378  0.446837  1
  Cu  Cu80  1  0.501912  0.981937  0.472334  1
  Cu  Cu81  1  0.501912  0.607053  0.498335  1
  Cu  Cu82  1  0.501912  0.481990  0.472602  1
  Cu  Cu83  1  0.501912  0.106875  0.498032  1
  Cu  Cu84  1  0.501912  0.857664  0.446713  1
  Cu  Cu85  1  1.001912  0.397388  0.421805  1
  Cu  Cu86  1  1.001912  0.022235  0.447076  1
  Cu  Cu87  1  1.001912  0.647809  0.473241  1
  Cu  Cu88  1  1.001912  0.522365  0.447459  1
  Cu  Cu89  1  1.001912  0.146751  0.472915  1
  Cu  Cu90  1  1.001912  0.897320  0.421599  1
  Cu  Cu91  1  0.501912  0.480529  0.524938  1
  Cu  Cu92  1  0.501912  0.104859  0.550511  1
  Cu  Cu93  1  0.501912  0.855628  0.499314  1
  Cu  Cu94  1  1.001912  0.273664  0.548724  1
  Cu  Cu95  1  1.001912  0.898347  0.575020  1
  Cu  Cu96  1  1.001912  0.649038  0.523432  1
  Cu  Cu97  1  0.501912  0.231410  0.523630  1
  Cu  Cu98  1  0.501912  0.856985  0.549795  1
  Cu  Cu99  1  0.501912  0.481832  0.575067  1
  Cu  Cu100  1  0.501912  0.356855  0.549412  1
  Cu  Cu101  1  0.501912  0.981900  0.575272  1
  Cu  Cu102  1  0.501912  0.732469  0.523956  1
  Cu  Cu103  1  1.001912  0.272167  0.498536  1
  Cu  Cu104  1  1.001912  0.897283  0.524538  1
  Cu  Cu105  1  1.001912  0.522842  0.550034  1
  Cu  Cu106  1  1.001912  0.397230  0.524269  1
  Cu  Cu107  1  1.001912  0.021556  0.550158  1
  Cu  Cu108  1  0.001912  0.772345  0.498839  1
  Cu  Cu109  1  0.501912  0.354853  0.601703  1
  Cu  Cu110  1  0.501912  0.980729  0.628007  1
  Cu  Cu111  1  0.501912  0.731067  0.576510  1
  Cu  Cu112  1  1.001912  0.148008  0.626002  1
  Cu  Cu113  1  1.001912  0.773634  0.652348  1
  Cu  Cu114  1  0.001912  0.524006  0.600344  1
  Cu  Cu115  1  0.501912  0.106186  0.600913  1
  Cu  Cu116  1  0.501912  0.731873  0.626665  1
  Cu  Cu117  1  0.501912  0.356988  0.652297  1
  Cu  Cu118  1  0.501912  0.231752  0.625856  1
  Cu  Cu119  1  0.501912  0.856505  0.652961  1
  Cu  Cu120  1  0.501912  0.607237  0.600846  1
  Cu  Cu121  1  1.001912  0.146532  0.575710  1
  Cu  Cu122  1  1.001912  0.772845  0.601811  1
  Cu  Cu123  1  1.001912  0.396965  0.626701  1
  Cu  Cu124  1  1.001912  0.271591  0.600800  1
  Cu  Cu125  1  0.001912  0.897132  0.628180  1
  Cu  Cu126  1  1.001912  0.647553  0.575923  1
  Cu  Cu127  1  0.501912  0.234317  0.677655  1
  Cu  Cu128  1  0.501912  0.851212  0.704212  1
  Cu  Cu129  1  0.501912  0.603591  0.652774  1
  Cu  Cu130  1  1.001912  0.027909  0.702661  1
  Cu  Cu131  1  1.001912  0.646874  0.726874  1
  Cu  Cu132  1  1.001912  0.395983  0.676853  1
  Cu  Cu133  1  0.501912  0.981902  0.677907  1
  Cu  Cu134  1  0.501912  0.601108  0.703267  1
  Cu  Cu135  1  0.501912  0.227677  0.725366  1
  Cu  Cu136  1  0.501912  0.107216  0.702990  1
  Cu  Cu137  1  0.501912  0.724164  0.727572  1
  Cu  Cu138  1  0.501912  0.480975  0.677243  1
  Cu  Cu139  1  1.001912  0.023125  0.653083  1
  Cu  Cu140  1  1.001912  0.642273  0.678439  1
  Cu  Cu141  1  1.001912  0.272810  0.703519  1
  Cu  Cu142  1  1.001912  0.149652  0.679404  1
  Cu  Cu143  1  1.001912  0.769187  0.703950  1
  Cu  Cu144  1  1.001912  0.520204  0.653121  1
