# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52574468
_cell_length_b   13.79504199
_cell_length_c   53.52677701
_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   'Al30 Cu90'
_cell_volume   3341.82859232
_cell_formula_units_Z   30
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  0.341664  0.933650  0.276499  1
  Al  Al2  1  0.329492  0.655993  0.303646  1
  Al  Al3  1  0.333100  0.367460  0.335781  1
  Al  Al4  1  0.674247  0.155993  0.303646  1
  Al  Al5  1  0.670639  0.867460  0.335781  1
  Al  Al6  1  0.662075  0.433650  0.276499  1
  Al  Al7  1  0.338729  0.082068  0.366153  1
  Al  Al8  1  0.339376  0.796213  0.396213  1
  Al  Al9  1  0.337217  0.510731  0.426702  1
  Al  Al10  1  0.664363  0.296213  0.396213  1
  Al  Al11  1  0.666522  0.010731  0.426702  1
  Al  Al12  1  0.665010  0.582068  0.366153  1
  Al  Al13  1  0.337481  0.225159  0.457072  1
  Al  Al14  1  0.338132  0.939487  0.487413  1
  Al  Al15  1  0.338371  0.653930  0.517770  1
  Al  Al16  1  0.665607  0.439487  0.487413  1
  Al  Al17  1  0.665367  0.153930  0.517770  1
  Al  Al18  1  0.666258  0.725159  0.457072  1
  Al  Al19  1  0.337918  0.368316  0.548115  1
  Al  Al20  1  0.336352  0.082652  0.578481  1
  Al  Al21  1  0.338915  0.797225  0.608940  1
  Al  Al22  1  0.667387  0.582652  0.578481  1
  Al  Al23  1  0.664824  0.297225  0.608940  1
  Al  Al24  1  0.665820  0.868316  0.548115  1
  Al  Al25  1  0.341041  0.511717  0.639200  1
  Al  Al26  1  0.330193  0.226048  0.669166  1
  Al  Al27  1  0.326629  0.937989  0.700967  1
  Al  Al28  1  0.673546  0.726048  0.669166  1
  Al  Al29  1  0.677110  0.437989  0.700967  1
  Al  Al30  1  0.662698  0.011717  0.639200  1
  Cu  Cu31  1  0.330552  0.011025  0.320708  1
  Cu  Cu32  1  0.323604  0.723993  0.350489  1
  Cu  Cu33  1  0.301065  0.295129  0.290048  1
  Cu  Cu34  1  0.680135  0.223993  0.350489  1
  Cu  Cu35  1  0.702674  0.795129  0.290048  1
  Cu  Cu36  1  0.673187  0.511025  0.320708  1
  Cu  Cu37  1  0.838281  0.974867  0.298179  1
  Cu  Cu38  1  0.831669  0.688394  0.328088  1
  Cu  Cu39  1  0.834492  0.403877  0.358574  1
  Cu  Cu40  1  0.838327  0.047450  0.342829  1
  Cu  Cu41  1  0.829651  0.613518  0.283233  1
  Cu  Cu42  1  0.828784  0.332260  0.313509  1
  Cu  Cu43  1  0.174088  0.113518  0.283233  1
  Cu  Cu44  1  0.174955  0.832260  0.313509  1
  Cu  Cu45  1  0.165412  0.547450  0.342829  1
  Cu  Cu46  1  0.172070  0.188394  0.328088  1
  Cu  Cu47  1  0.169247  0.903877  0.358574  1
  Cu  Cu48  1  0.165458  0.474867  0.298179  1
  Cu  Cu49  1  0.324259  0.153569  0.411593  1
  Cu  Cu50  1  0.325003  0.867831  0.441854  1
  Cu  Cu51  1  0.322038  0.439532  0.381124  1
  Cu  Cu52  1  0.678736  0.367831  0.441854  1
  Cu  Cu53  1  0.681701  0.939532  0.381124  1
  Cu  Cu54  1  0.679480  0.653569  0.411593  1
  Cu  Cu55  1  0.837783  0.117825  0.388793  1
  Cu  Cu56  1  0.838139  0.832144  0.419119  1
  Cu  Cu57  1  0.836891  0.546526  0.449539  1
  Cu  Cu58  1  0.836846  0.189383  0.434220  1
  Cu  Cu59  1  0.838466  0.760467  0.373510  1
  Cu  Cu60  1  0.835990  0.474832  0.403965  1
  Cu  Cu61  1  0.165273  0.260467  0.373510  1
  Cu  Cu62  1  0.167749  0.974832  0.403965  1
  Cu  Cu63  1  0.166893  0.689383  0.434220  1
  Cu  Cu64  1  0.165600  0.332144  0.419119  1
  Cu  Cu65  1  0.166848  0.046526  0.449539  1
  Cu  Cu66  1  0.165956  0.617825  0.388793  1
  Cu  Cu67  1  0.323967  0.296722  0.502589  1
  Cu  Cu68  1  0.323863  0.011085  0.532957  1
  Cu  Cu69  1  0.324329  0.582338  0.472227  1
  Cu  Cu70  1  0.679875  0.511085  0.532957  1
  Cu  Cu71  1  0.679410  0.082338  0.472227  1
  Cu  Cu72  1  0.679772  0.796722  0.502589  1
  Cu  Cu73  1  0.836838  0.260926  0.479875  1
  Cu  Cu74  1  0.837136  0.975347  0.510220  1
  Cu  Cu75  1  0.837767  0.689743  0.540585  1
  Cu  Cu76  1  0.837056  0.332488  0.525319  1
  Cu  Cu77  1  0.837639  0.903681  0.464582  1
  Cu  Cu78  1  0.837451  0.618075  0.494960  1
  Cu  Cu79  1  0.166100  0.403681  0.464582  1
  Cu  Cu80  1  0.166288  0.118075  0.494960  1
  Cu  Cu81  1  0.166683  0.832488  0.525319  1
  Cu  Cu82  1  0.166603  0.475347  0.510220  1
  Cu  Cu83  1  0.165972  0.189743  0.540585  1
  Cu  Cu84  1  0.166901  0.760926  0.479875  1
  Cu  Cu85  1  0.325137  0.440074  0.593618  1
  Cu  Cu86  1  0.320813  0.154057  0.623965  1
  Cu  Cu87  1  0.325077  0.725528  0.563330  1
  Cu  Cu88  1  0.682926  0.654057  0.623965  1
  Cu  Cu89  1  0.678662  0.225528  0.563330  1
  Cu  Cu90  1  0.678602  0.940074  0.593618  1
  Cu  Cu91  1  0.837430  0.404067  0.570979  1
  Cu  Cu92  1  0.835081  0.118569  0.601278  1
  Cu  Cu93  1  0.837850  0.833211  0.631483  1
  Cu  Cu94  1  0.838838  0.475614  0.616469  1
  Cu  Cu95  1  0.836309  0.046927  0.555651  1
  Cu  Cu96  1  0.837998  0.761304  0.585997  1
  Cu  Cu97  1  0.167430  0.546927  0.555651  1
  Cu  Cu98  1  0.165741  0.261304  0.585997  1
  Cu  Cu99  1  0.164901  0.975614  0.616469  1
  Cu  Cu100  1  0.168658  0.618569  0.601278  1
  Cu  Cu101  1  0.165889  0.333211  0.631483  1
  Cu  Cu102  1  0.166309  0.904067  0.570979  1
  Cu  Cu103  1  0.330349  0.583895  0.684848  1
  Cu  Cu104  1  0.312197  0.299471  0.714031  1
  Cu  Cu105  1  0.322385  0.868382  0.654791  1
  Cu  Cu106  1  0.691541  0.799471  0.714031  1
  Cu  Cu107  1  0.681353  0.368382  0.654791  1
  Cu  Cu108  1  0.673390  0.083895  0.684848  1
  Cu  Cu109  1  0.840110  0.546306  0.662288  1
  Cu  Cu110  1  0.826124  0.258955  0.692725  1
  Cu  Cu111  1  0.828699  0.980217  0.720824  1
  Cu  Cu112  1  0.833823  0.619544  0.706866  1
  Cu  Cu113  1  0.832804  0.189829  0.646729  1
  Cu  Cu114  1  0.831793  0.904809  0.676717  1
  Cu  Cu115  1  0.170934  0.689829  0.646729  1
  Cu  Cu116  1  0.171945  0.404809  0.676717  1
  Cu  Cu117  1  0.169916  0.119544  0.706866  1
  Cu  Cu118  1  0.177615  0.758955  0.692725  1
  Cu  Cu119  1  0.175039  0.480217  0.720824  1
  Cu  Cu120  1  0.163629  0.046306  0.662288  1
