# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63089648
_cell_length_b   6.91359323
_cell_length_c   47.91919255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.89601439
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al28 Cu84'
_cell_volume   3036.27893043
_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  0.892449  0.808336  0.301916  1
  Al  Al2  1  0.323132  0.993383  0.272359  1
  Al  Al3  1  0.084512  0.476674  0.275912  1
  Al  Al4  1  0.646910  0.278809  0.309114  1
  Al  Al5  1  0.028553  0.438396  0.370799  1
  Al  Al6  1  0.460445  0.623215  0.337720  1
  Al  Al7  1  0.220824  0.098949  0.342884  1
  Al  Al8  1  0.790367  0.912747  0.376193  1
  Al  Al9  1  0.168298  0.069961  0.437639  1
  Al  Al10  1  0.599286  0.254754  0.404332  1
  Al  Al11  1  0.359567  0.728188  0.409559  1
  Al  Al12  1  0.929027  0.543790  0.442769  1
  Al  Al13  1  0.307382  0.701154  0.504446  1
  Al  Al14  1  0.737882  0.885601  0.471092  1
  Al  Al15  1  0.498646  0.359247  0.476276  1
  Al  Al16  1  0.068220  0.174799  0.509631  1
  Al  Al17  1  0.446442  0.332426  0.571326  1
  Al  Al18  1  0.876815  0.516750  0.537765  1
  Al  Al19  1  0.637829  0.990451  0.543021  1
  Al  Al20  1  0.207261  0.806264  0.576355  1
  Al  Al21  1  0.587192  0.964087  0.637902  1
  Al  Al22  1  0.016032  0.148247  0.604661  1
  Al  Al23  1  0.775839  0.621533  0.610002  1
  Al  Al24  1  0.346380  0.437965  0.643096  1
  Al  Al25  1  0.721374  0.587674  0.706718  1
  Al  Al26  1  0.152850  0.778542  0.670715  1
  Al  Al27  1  0.917697  0.253004  0.675703  1
  Al  Al28  1  0.485414  0.073056  0.711586  1
  Cu  Cu29  1  0.817286  0.485407  0.271264  1
  Cu  Cu30  1  0.386888  0.312301  0.303269  1
  Cu  Cu31  1  0.153806  0.779496  0.310529  1
  Cu  Cu32  1  0.585073  0.956023  0.278094  1
  Cu  Cu33  1  0.856966  0.155268  0.287745  1
  Cu  Cu34  1  0.424720  0.965461  0.321440  1
  Cu  Cu35  1  0.925097  0.465742  0.320720  1
  Cu  Cu36  1  0.357370  0.652507  0.288046  1
  Cu  Cu37  1  0.118711  0.131164  0.292676  1
  Cu  Cu38  1  0.687939  0.937638  0.326321  1
  Cu  Cu39  1  0.184985  0.441527  0.326106  1
  Cu  Cu40  1  0.616823  0.623405  0.292763  1
  Cu  Cu41  1  0.957754  0.126163  0.336347  1
  Cu  Cu42  1  0.527593  0.944135  0.370181  1
  Cu  Cu43  1  0.292096  0.408174  0.377116  1
  Cu  Cu44  1  0.724464  0.593594  0.342993  1
  Cu  Cu45  1  0.993410  0.782597  0.353591  1
  Cu  Cu46  1  0.564668  0.598001  0.387565  1
  Cu  Cu47  1  0.063981  0.096806  0.387538  1
  Cu  Cu48  1  0.495113  0.282374  0.354326  1
  Cu  Cu49  1  0.254774  0.754060  0.359596  1
  Cu  Cu50  1  0.824747  0.569462  0.392551  1
  Cu  Cu51  1  0.325030  0.070456  0.392876  1
  Cu  Cu52  1  0.754994  0.254696  0.359161  1
  Cu  Cu53  1  0.096063  0.759601  0.403161  1
  Cu  Cu54  1  0.666327  0.575212  0.436734  1
  Cu  Cu55  1  0.431321  0.038732  0.443824  1
  Cu  Cu56  1  0.861650  0.223203  0.410381  1
  Cu  Cu57  1  0.133419  0.413330  0.420935  1
  Cu  Cu58  1  0.703169  0.228895  0.454388  1
  Cu  Cu59  1  0.202996  0.728071  0.454309  1
  Cu  Cu60  1  0.633624  0.912553  0.421031  1
  Cu  Cu61  1  0.394541  0.385042  0.426190  1
  Cu  Cu62  1  0.963905  0.200507  0.459547  1
  Cu  Cu63  1  0.463836  0.701175  0.459626  1
  Cu  Cu64  1  0.894285  0.885644  0.426234  1
  Cu  Cu65  1  0.235741  0.390647  0.470107  1
  Cu  Cu66  1  0.805304  0.206235  0.503516  1
  Cu  Cu67  1  0.570336  0.669659  0.510600  1
  Cu  Cu68  1  1.000747  0.854118  0.477172  1
  Cu  Cu69  1  0.272597  0.044385  0.487738  1
  Cu  Cu70  1  0.842157  0.859997  0.521134  1
  Cu  Cu71  1  0.342222  0.359235  0.521153  1
  Cu  Cu72  1  0.772676  0.543619  0.487691  1
  Cu  Cu73  1  0.533420  0.015990  0.492971  1
  Cu  Cu74  1  0.102908  0.831559  0.526325  1
  Cu  Cu75  1  0.602802  0.332313  0.526390  1
  Cu  Cu76  1  0.033337  0.516706  0.492920  1
  Cu  Cu77  1  0.374860  0.021984  0.536904  1
  Cu  Cu78  1  0.944065  0.837242  0.570286  1
  Cu  Cu79  1  0.709200  0.301275  0.577344  1
  Cu  Cu80  1  0.139823  0.485375  0.543917  1
  Cu  Cu81  1  0.411844  0.675709  0.554548  1
  Cu  Cu82  1  0.980795  0.491295  0.587771  1
  Cu  Cu83  1  0.481670  0.990901  0.587867  1
  Cu  Cu84  1  0.911836  0.174957  0.554482  1
  Cu  Cu85  1  0.672501  0.647126  0.559777  1
  Cu  Cu86  1  0.242016  0.462972  0.593033  1
  Cu  Cu87  1  0.742456  0.963819  0.593077  1
  Cu  Cu88  1  0.172380  0.147918  0.559780  1
  Cu  Cu89  1  0.514100  0.653297  0.603781  1
  Cu  Cu90  1  0.083641  0.469720  0.636797  1
  Cu  Cu91  1  0.848927  0.930960  0.644247  1
  Cu  Cu92  1  0.278984  0.116567  0.610872  1
  Cu  Cu93  1  0.550663  0.306691  0.621567  1
  Cu  Cu94  1  0.120867  0.122108  0.654733  1
  Cu  Cu95  1  0.620010  0.619839  0.655469  1
  Cu  Cu96  1  0.049588  0.805465  0.621037  1
  Cu  Cu97  1  0.811314  0.279296  0.626389  1
  Cu  Cu98  1  0.381991  0.094565  0.660345  1
  Cu  Cu99  1  0.877841  0.593778  0.660440  1
  Cu  Cu100  1  0.311949  0.780547  0.626279  1
  Cu  Cu101  1  0.652340  0.281803  0.670993  1
  Cu  Cu102  1  0.220575  0.096223  0.703734  1
  Cu  Cu103  1  0.986937  0.564725  0.710301  1
  Cu  Cu104  1  0.417420  0.754104  0.676649  1
  Cu  Cu105  1  0.689096  0.932758  0.688155  1
  Cu  Cu106  1  0.255796  0.749087  0.719779  1
  Cu  Cu107  1  0.764888  0.240724  0.720185  1
  Cu  Cu108  1  0.192701  0.437970  0.688013  1
  Cu  Cu109  1  0.948821  0.906517  0.693956  1
  Cu  Cu110  1  0.509957  0.716956  0.724271  1
  Cu  Cu111  1  0.024675  0.225446  0.724307  1
  Cu  Cu112  1  0.446821  0.408662  0.693165  1
