# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89697884
_cell_length_b   8.02651579
_cell_length_c   45.55801712
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.64252009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al72 Cu24'
_cell_volume   3233.37025439
_cell_formula_units_Z   24
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  0.711708  0.941173  0.284135  1
  Al  Al2  1  0.011998  0.903536  0.300575  1
  Al  Al3  1  0.315289  0.857832  0.317853  1
  Al  Al4  1  0.488773  0.123369  0.315988  1
  Al  Al5  1  0.879314  0.220394  0.283175  1
  Al  Al6  1  0.180310  0.184686  0.298549  1
  Al  Al7  1  0.542860  0.662557  0.288090  1
  Al  Al8  1  0.843399  0.613563  0.303716  1
  Al  Al9  1  0.144220  0.582183  0.322102  1
  Al  Al10  1  0.624518  0.818532  0.338387  1
  Al  Al11  1  0.928202  0.779883  0.355858  1
  Al  Al12  1  0.228973  0.747873  0.375292  1
  Al  Al13  1  0.403575  0.016025  0.371403  1
  Al  Al14  1  0.795124  0.091287  0.335685  1
  Al  Al15  1  0.101346  0.054648  0.352812  1
  Al  Al16  1  0.447253  0.556681  0.344254  1
  Al  Al17  1  0.752172  0.514715  0.362248  1
  Al  Al18  1  0.060689  0.477314  0.380466  1
  Al  Al19  1  0.534333  0.711687  0.395383  1
  Al  Al20  1  0.839653  0.673007  0.413341  1
  Al  Al21  1  0.143679  0.635813  0.432134  1
  Al  Al22  1  0.314590  0.907769  0.427861  1
  Al  Al23  1  0.708338  0.981207  0.390574  1
  Al  Al24  1  0.011509  0.943836  0.408779  1
  Al  Al25  1  0.362704  0.437479  0.399026  1
  Al  Al26  1  0.666250  0.397911  0.417106  1
  Al  Al27  1  0.971012  0.361296  0.435562  1
  Al  Al28  1  0.447117  0.597126  0.450865  1
  Al  Al29  1  0.750881  0.558961  0.469156  1
  Al  Al30  1  0.054763  0.521355  0.487783  1
  Al  Al31  1  0.227215  0.795100  0.484091  1
  Al  Al32  1  0.619658  0.870553  0.446802  1
  Al  Al33  1  0.923410  0.831983  0.465272  1
  Al  Al34  1  0.274062  0.321900  0.453972  1
  Al  Al35  1  0.577998  0.284078  0.472486  1
  Al  Al36  1  0.881594  0.247367  0.491155  1
  Al  Al37  1  0.358316  0.482987  0.506211  1
  Al  Al38  1  0.661933  0.445426  0.524835  1
  Al  Al39  1  0.965474  0.407410  0.543327  1
  Al  Al40  1  0.138891  0.682284  0.540051  1
  Al  Al41  1  0.531237  0.757049  0.502708  1
  Al  Al42  1  0.835001  0.719130  0.521424  1
  Al  Al43  1  0.185145  0.208814  0.509638  1
  Al  Al44  1  0.489573  0.171379  0.528346  1
  Al  Al45  1  0.793050  0.133277  0.547014  1
  Al  Al46  1  0.269256  0.368338  0.561523  1
  Al  Al47  1  0.573339  0.330947  0.580375  1
  Al  Al48  1  0.876191  0.292354  0.598715  1
  Al  Al49  1  0.050229  0.567558  0.595309  1
  Al  Al50  1  0.442037  0.643971  0.558415  1
  Al  Al51  1  0.745701  0.606501  0.577242  1
  Al  Al52  1  0.096829  0.095134  0.565629  1
  Al  Al53  1  0.401514  0.058741  0.584578  1
  Al  Al54  1  0.704968  0.020257  0.603244  1
  Al  Al55  1  0.181050  0.252926  0.617153  1
  Al  Al56  1  0.488198  0.218603  0.636845  1
  Al  Al57  1  0.789294  0.182358  0.655485  1
  Al  Al58  1  0.962583  0.449552  0.649722  1
  Al  Al59  1  0.353166  0.527317  0.613210  1
  Al  Al60  1  0.657180  0.491753  0.632397  1
  Al  Al61  1  0.008793  0.985407  0.622553  1
  Al  Al62  1  0.311573  0.951464  0.641364  1
  Al  Al63  1  0.615405  0.910004  0.658998  1
  Al  Al64  1  0.093273  0.148268  0.675707  1
  Al  Al65  1  0.401836  0.109866  0.693920  1
  Al  Al66  1  0.703895  0.063538  0.710030  1
  Al  Al67  1  0.873951  0.344523  0.705998  1
  Al  Al68  1  0.267317  0.407568  0.667663  1
  Al  Al69  1  0.574631  0.384812  0.689389  1
  Al  Al70  1  0.923564  0.876282  0.678298  1
  Al  Al71  1  0.225629  0.841716  0.696165  1
  Al  Al72  1  0.530880  0.785959  0.712212  1
  Cu  Cu73  1  0.660455  0.375256  0.314193  1
  Cu  Cu74  1  0.967640  0.340991  0.332668  1
  Cu  Cu75  1  0.375689  0.413046  0.296289  1
  Cu  Cu76  1  0.576191  0.264858  0.366717  1
  Cu  Cu77  1  0.884100  0.228368  0.385484  1
  Cu  Cu78  1  0.276811  0.304138  0.348912  1
  Cu  Cu79  1  0.490562  0.151308  0.421957  1
  Cu  Cu80  1  0.795868  0.114489  0.440797  1
  Cu  Cu81  1  0.187164  0.189701  0.403324  1
  Cu  Cu82  1  0.402354  0.039212  0.478144  1
  Cu  Cu83  1  0.706829  1.001653  0.496876  1
  Cu  Cu84  1  0.097886  0.076769  0.459279  1
  Cu  Cu85  1  0.314387  0.927072  0.534290  1
  Cu  Cu86  1  0.617732  0.889005  0.552954  1
  Cu  Cu87  1  0.009823  0.964120  0.515446  1
  Cu  Cu88  1  0.225529  0.815077  0.590755  1
  Cu  Cu89  1  0.527174  0.776436  0.608970  1
  Cu  Cu90  1  0.921990  0.851733  0.571884  1
  Cu  Cu91  1  0.138899  0.700650  0.645687  1
  Cu  Cu92  1  0.437269  0.662022  0.662883  1
  Cu  Cu93  1  0.835159  0.739208  0.627592  1
  Cu  Cu94  1  0.053407  0.586393  0.697434  1
  Cu  Cu95  1  0.340528  0.551665  0.714377  1
  Cu  Cu96  1  0.752374  0.628681  0.680841  1
