# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.23693642
_cell_length_b   6.72353288
_cell_length_c   48.48636788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.10743316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al42 Cu126'
_cell_volume   4557.61677369
_cell_formula_units_Z   42
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  0.880576  0.955055  0.272088  1
  Al  Al2  1  0.199113  0.813620  0.292720  1
  Al  Al3  1  0.513914  0.707898  0.315386  1
  Al  Al4  1  0.982155  0.402527  0.277676  1
  Al  Al5  1  0.301348  0.295687  0.299855  1
  Al  Al6  1  0.616602  0.161420  0.324384  1
  Al  Al7  1  0.827577  0.575304  0.339050  1
  Al  Al8  1  0.142826  0.447700  0.360474  1
  Al  Al9  1  0.457486  0.326234  0.382911  1
  Al  Al10  1  0.931171  0.031967  0.346204  1
  Al  Al11  1  0.245539  0.910570  0.368110  1
  Al  Al12  1  0.559965  0.786184  0.390407  1
  Al  Al13  1  0.772694  0.199812  0.405511  1
  Al  Al14  1  0.087450  0.073446  0.427359  1
  Al  Al15  1  0.401912  0.949315  0.449652  1
  Al  Al16  1  0.875246  0.658092  0.412628  1
  Al  Al17  1  0.189967  0.534314  0.434744  1
  Al  Al18  1  0.504472  0.409348  0.457058  1
  Al  Al19  1  0.716810  0.823400  0.472110  1
  Al  Al20  1  0.031522  0.697833  0.494259  1
  Al  Al21  1  0.346253  0.573307  0.516451  1
  Al  Al22  1  0.819472  0.282685  0.479401  1
  Al  Al23  1  0.134203  0.158159  0.501593  1
  Al  Al24  1  0.448915  0.032592  0.523742  1
  Al  Al25  1  0.661253  0.446644  0.538794  1
  Al  Al26  1  0.975758  0.321678  0.561108  1
  Al  Al27  1  0.290478  0.197900  0.583225  1
  Al  Al28  1  0.763813  0.906676  0.546200  1
  Al  Al29  1  0.078275  0.782546  0.568493  1
  Al  Al30  1  0.393031  0.656180  0.590342  1
  Al  Al31  1  0.605760  0.069808  0.605446  1
  Al  Al32  1  0.920186  0.945422  0.627742  1
  Al  Al33  1  0.234554  0.824024  0.649648  1
  Al  Al34  1  0.708238  0.529758  0.612941  1
  Al  Al35  1  0.022899  0.408292  0.635378  1
  Al  Al36  1  0.338148  0.280688  0.656802  1
  Al  Al37  1  0.549123  0.694572  0.671469  1
  Al  Al38  1  0.864376  0.560305  0.695997  1
  Al  Al39  1  0.183570  0.453465  0.718176  1
  Al  Al40  1  0.651811  0.148094  0.680466  1
  Al  Al41  1  0.966612  0.042372  0.703132  1
  Al  Al42  1  0.285148  0.900937  0.723764  1
  Cu  Cu43  1  0.851913  0.263840  0.305695  1
  Cu  Cu44  1  0.167965  0.134536  0.326624  1
  Cu  Cu45  1  0.540679  0.387677  0.283694  1
  Cu  Cu46  1  0.960822  0.717559  0.312823  1
  Cu  Cu47  1  0.333893  0.970637  0.270369  1
  Cu  Cu48  1  0.649987  0.852365  0.290430  1
  Cu  Cu49  1  0.025916  0.041681  0.300044  1
  Cu  Cu50  1  0.340406  0.924662  0.321951  1
  Cu  Cu51  1  0.711246  0.178723  0.278944  1
  Cu  Cu52  1  0.050045  0.731018  0.268089  1
  Cu  Cu53  1  0.374080  0.611191  0.288747  1
  Cu  Cu54  1  0.684341  0.486860  0.310739  1
  Cu  Cu55  1  0.788136  0.941409  0.318461  1
  Cu  Cu56  1  0.156544  0.187104  0.274692  1
  Cu  Cu57  1  0.474044  0.073548  0.295711  1
  Cu  Cu58  1  0.814396  0.630567  0.285492  1
  Cu  Cu59  1  0.127360  0.499055  0.306994  1
  Cu  Cu60  1  0.445119  0.382746  0.329352  1
  Cu  Cu61  1  0.795720  0.889404  0.371928  1
  Cu  Cu62  1  0.110880  0.762648  0.393582  1
  Cu  Cu63  1  0.480980  0.016027  0.349280  1
  Cu  Cu64  1  0.907698  0.344014  0.379559  1
  Cu  Cu65  1  0.277429  0.598265  0.334840  1
  Cu  Cu66  1  0.591921  0.474540  0.357107  1
  Cu  Cu67  1  0.971718  0.666924  0.366359  1
  Cu  Cu68  1  0.285979  0.544223  0.388356  1
  Cu  Cu69  1  0.656256  0.796173  0.344276  1
  Cu  Cu70  1  0.998927  0.353863  0.332428  1
  Cu  Cu71  1  0.313935  0.233572  0.354442  1
  Cu  Cu72  1  0.628735  0.107817  0.377761  1
  Cu  Cu73  1  0.731452  0.565755  0.384991  1
  Cu  Cu74  1  0.103033  0.813118  0.339723  1
  Cu  Cu75  1  0.417467  0.692842  0.362106  1
  Cu  Cu76  1  0.759563  0.254528  0.351826  1
  Cu  Cu77  1  0.074607  0.127141  0.373453  1
  Cu  Cu78  1  0.388870  0.004945  0.395773  1
  Cu  Cu79  1  0.740326  0.513182  0.438501  1
  Cu  Cu80  1  0.055294  0.387333  0.460559  1
  Cu  Cu81  1  0.425308  0.639405  0.415925  1
  Cu  Cu82  1  0.851657  0.968841  0.446345  1
  Cu  Cu83  1  0.222149  0.220988  0.401598  1
  Cu  Cu84  1  0.536459  0.096001  0.424048  1
  Cu  Cu85  1  0.915893  0.292747  0.433209  1
  Cu  Cu86  1  0.230276  0.168305  0.455273  1
  Cu  Cu87  1  0.600617  0.419722  0.410895  1
  Cu  Cu88  1  0.943787  0.979654  0.399788  1
  Cu  Cu89  1  0.258409  0.855714  0.421798  1
  Cu  Cu90  1  0.573125  0.730649  0.444167  1
  Cu  Cu91  1  0.676103  0.189584  0.451548  1
  Cu  Cu92  1  0.047102  0.439092  0.406930  1
  Cu  Cu93  1  0.361432  0.315614  0.429154  1
  Cu  Cu94  1  0.703882  0.878033  0.418385  1
  Cu  Cu95  1  0.018890  0.751896  0.440442  1
  Cu  Cu96  1  0.333407  0.627779  0.462651  1
  Cu  Cu97  1  0.684714  0.136672  0.505145  1
  Cu  Cu98  1  0.999470  0.011452  0.527371  1
  Cu  Cu99  1  0.369804  0.262784  0.482774  1
  Cu  Cu100  1  0.795921  0.593208  0.513078  1
  Cu  Cu101  1  0.166255  0.844540  0.468481  1
  Cu  Cu102  1  0.481011  0.719320  0.490707  1
  Cu  Cu103  1  0.860001  0.916859  0.499953  1
  Cu  Cu104  1  0.174485  0.792331  0.522131  1
  Cu  Cu105  1  0.545101  0.042946  0.477604  1
  Cu  Cu106  1  0.888023  0.604326  0.466443  1
  Cu  Cu107  1  0.202683  0.479790  0.488589  1
  Cu  Cu108  1  0.517516  0.354231  0.510840  1
  Cu  Cu109  1  0.620624  0.813046  0.518248  1
  Cu  Cu110  1  0.991239  0.063661  0.473722  1
  Cu  Cu111  1  0.305724  0.939133  0.495899  1
  Cu  Cu112  1  0.648209  0.501761  0.485012  1
  Cu  Cu113  1  0.963042  0.376202  0.507263  1
  Cu  Cu114  1  0.277701  0.251666  0.529409  1
  Cu  Cu115  1  0.629265  0.759991  0.571804  1
  Cu  Cu116  1  0.943576  0.635004  0.594254  1
  Cu  Cu117  1  0.314068  0.887151  0.549507  1
  Cu  Cu118  1  0.740417  0.216586  0.579927  1
  Cu  Cu119  1  0.110431  0.468659  0.535293  1
  Cu  Cu120  1  0.425399  0.342810  0.557351  1
  Cu  Cu121  1  0.804292  0.540378  0.566698  1
  Cu  Cu122  1  0.118623  0.416900  0.588922  1
  Cu  Cu123  1  0.489622  0.666408  0.544304  1
  Cu  Cu124  1  0.832318  0.228213  0.533202  1
  Cu  Cu125  1  0.146835  0.104096  0.555410  1
  Cu  Cu126  1  0.461843  0.977959  0.577467  1
  Cu  Cu127  1  0.565107  0.436270  0.584957  1
  Cu  Cu128  1  0.935449  0.687687  0.540579  1
  Cu  Cu129  1  0.249832  0.563245  0.562643  1
  Cu  Cu130  1  0.592599  0.125343  0.551685  1
  Cu  Cu131  1  0.907315  1.000278  0.574054  1
  Cu  Cu132  1  0.221938  0.876337  0.596064  1
  Cu  Cu133  1  0.573804  0.381452  0.638746  1
  Cu  Cu134  1  0.888296  0.257727  0.661013  1
  Cu  Cu135  1  0.258027  0.511978  0.616294  1
  Cu  Cu136  1  0.684744  0.839965  0.646572  1
  Cu  Cu137  1  0.054845  0.093344  0.602270  1
  Cu  Cu138  1  0.370005  0.966588  0.623924  1
  Cu  Cu139  1  0.748258  0.163150  0.633746  1
  Cu  Cu140  1  0.062692  0.042874  0.656129  1
  Cu  Cu141  1  0.434273  0.290237  0.610861  1
  Cu  Cu142  1  0.776855  0.851047  0.600079  1
  Cu  Cu143  1  0.091117  0.728851  0.622399  1
  Cu  Cu144  1  0.406162  0.601464  0.644027  1
  Cu  Cu145  1  0.509469  0.059819  0.651576  1
  Cu  Cu146  1  0.879745  0.311769  0.607497  1
  Cu  Cu147  1  0.194007  0.189068  0.629493  1
  Cu  Cu148  1  0.536990  0.748175  0.618091  1
  Cu  Cu149  1  0.851790  0.622420  0.641410  1
  Cu  Cu150  1  0.166798  0.502129  0.663424  1
  Cu  Cu151  1  0.515738  0.003627  0.705422  1
  Cu  Cu152  1  0.831832  0.885355  0.725483  1
  Cu  Cu153  1  0.204903  0.138433  0.683029  1
  Cu  Cu154  1  0.625045  0.468315  0.712158  1
  Cu  Cu155  1  0.997759  0.721456  0.669228  1
  Cu  Cu156  1  0.313812  0.592152  0.690157  1
  Cu  Cu157  1  0.691681  0.782444  0.700141  1
  Cu  Cu158  1  0.009181  0.668888  0.721160  1
  Cu  Cu159  1  0.377588  0.914583  0.677391  1
  Cu  Cu160  1  0.720606  0.473246  0.666501  1
  Cu  Cu161  1  0.038365  0.356937  0.688858  1
  Cu  Cu162  1  0.351329  0.225424  0.710360  1
  Cu  Cu163  1  0.454478  0.677269  0.716908  1
  Cu  Cu164  1  0.825319  0.931330  0.673901  1
  Cu  Cu165  1  0.139808  0.814311  0.695808  1
  Cu  Cu166  1  0.481384  0.369132  0.685114  1
  Cu  Cu167  1  0.791645  0.244801  0.707106  1
  Cu  Cu168  1  0.115680  0.124973  0.727763  1
