# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.02928401
_cell_length_b   14.56712159
_cell_length_c   47.01223141
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.69639546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al120 Cu120'
_cell_volume   7930.84234367
_cell_formula_units_Z   120
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  0.634829  0.549322  0.366273  1
  Al  Al2  1  0.698811  0.844478  0.325549  1
  Al  Al3  1  0.597138  0.194522  0.350463  1
  Al  Al4  1  0.422610  0.741968  0.390362  1
  Al  Al5  1  0.435016  0.104587  0.397521  1
  Al  Al6  1  0.492642  0.327813  0.317157  1
  Al  Al7  1  0.866735  0.720650  0.366687  1
  Al  Al8  1  0.855518  0.019526  0.316051  1
  Al  Al9  1  0.909452  0.293776  0.296898  1
  Al  Al10  1  0.352449  0.616952  0.294991  1
  Al  Al11  1  0.245082  0.040929  0.358844  1
  Al  Al12  1  0.273171  0.341024  0.326200  1
  Al  Al13  1  0.078624  0.684234  0.352230  1
  Al  Al14  1  0.068555  0.985904  0.318471  1
  Al  Al15  1  0.986759  0.435091  0.392978  1
  Al  Al16  1  0.136712  0.621450  0.302381  1
  Al  Al17  1  0.283630  0.967226  0.307400  1
  Al  Al18  1  0.053504  0.319008  0.343666  1
  Al  Al19  1  0.904604  0.472280  0.303533  1
  Al  Al20  1  0.873747  0.907714  0.364100  1
  Al  Al21  1  0.017187  0.111602  0.354992  1
  Al  Al22  1  0.193410  0.577814  0.386292  1
  Al  Al23  1  0.283914  0.860539  0.354819  1
  Al  Al24  1  0.440662  0.137429  0.308938  1
  Al  Al25  1  0.692909  0.492313  0.314817  1
  Al  Al26  1  0.664322  0.900521  0.383299  1
  Al  Al27  1  0.820980  0.184208  0.341613  1
  Al  Al28  1  0.415528  0.563708  0.374983  1
  Al  Al29  1  0.493785  0.847441  0.344201  1
  Al  Al30  1  0.668057  0.131104  0.298984  1
  Al  Al31  1  0.461082  0.715214  0.473370  1
  Al  Al32  1  0.459986  0.927741  0.401341  1
  Al  Al33  1  0.372692  0.439448  0.509663  1
  Al  Al34  1  0.037295  0.911151  0.493692  1
  Al  Al35  1  0.196221  0.195842  0.458667  1
  Al  Al36  1  0.340482  0.482479  0.426639  1
  Al  Al37  1  0.518490  0.909837  0.472187  1
  Al  Al38  1  0.597961  0.138960  0.440772  1
  Al  Al39  1  0.764653  0.440740  0.402541  1
  Al  Al40  1  0.194537  0.755324  0.400134  1
  Al  Al41  1  0.990088  0.225869  0.469299  1
  Al  Al42  1  0.121439  0.502739  0.436956  1
  Al  Al43  1  0.768693  0.878367  0.462827  1
  Al  Al44  1  0.819571  0.148039  0.431362  1
  Al  Al45  1  0.816192  0.594417  0.492458  1
  Al  Al46  1  0.999651  0.818734  0.410651  1
  Al  Al47  1  0.029837  0.136427  0.416605  1
  Al  Al48  1  0.904146  0.529860  0.445146  1
  Al  Al49  1  0.769718  0.621951  0.412730  1
  Al  Al50  1  0.721312  0.048570  0.482449  1
  Al  Al51  1  0.650577  0.329429  0.444615  1
  Al  Al52  1  0.021272  0.725248  0.503786  1
  Al  Al53  1  0.114068  0.003792  0.446574  1
  Al  Al54  1  0.106681  0.322837  0.422501  1
  Al  Al55  1  0.543160  0.628967  0.420919  1
  Al  Al56  1  0.500584  0.074000  0.491566  1
  Al  Al57  1  0.452348  0.374012  0.459846  1
  Al  Al58  1  0.241463  0.716912  0.488103  1
  Al  Al59  1  0.361675  0.008360  0.445869  1
  Al  Al60  1  0.331120  0.302585  0.413486  1
  Al  Al61  1  0.192569  0.817450  0.535874  1
  Al  Al62  1  0.280361  0.077700  0.493064  1
  Al  Al63  1  0.160474  0.610746  0.601925  1
  Al  Al64  1  0.056566  0.240059  0.562494  1
  Al  Al65  1  0.037169  0.428578  0.566627  1
  Al  Al66  1  0.128242  0.618444  0.541122  1
  Al  Al67  1  0.335720  0.054443  0.582056  1
  Al  Al68  1  0.491641  0.336748  0.541378  1
  Al  Al69  1  0.623837  0.624921  0.514144  1
  Al  Al70  1  0.844225  0.955869  0.515132  1
  Al  Al71  1  0.808181  0.393091  0.579173  1
  Al  Al72  1  0.831441  0.681287  0.545353  1
  Al  Al73  1  0.556474  0.050831  0.571364  1
  Al  Al74  1  0.718244  0.330664  0.528892  1
  Al  Al75  1  0.411034  0.757286  0.613216  1
  Al  Al76  1  0.777541  0.033540  0.561189  1
  Al  Al77  1  0.772536  0.236292  0.481572  1
  Al  Al78  1  0.640165  0.763173  0.603751  1
  Al  Al79  1  0.632361  0.807795  0.508001  1
  Al  Al80  1  0.381830  0.243527  0.587096  1
  Al  Al81  1  0.498824  0.514207  0.553983  1
  Al  Al82  1  0.909797  0.953273  0.596479  1
  Al  Al83  1  0.831872  0.224926  0.563508  1
  Al  Al84  1  0.916431  0.494149  0.527045  1
  Al  Al85  1  0.417324  0.811789  0.522203  1
  Al  Al86  1  0.172515  0.250580  0.613853  1
  Al  Al87  1  0.282774  0.526038  0.568122  1
  Al  Al88  1  0.114341  0.910989  0.585759  1
  Al  Al89  1  0.236452  0.169688  0.543177  1
  Al  Al90  1  0.157672  0.454966  0.518668  1
  Al  Al91  1  0.067544  0.059607  0.639306  1
  Al  Al92  1  0.050963  0.305925  0.657089  1
  Al  Al93  1  0.902540  0.750086  0.679670  1
  Al  Al94  1  0.804593  0.282627  0.704149  1
  Al  Al95  1  0.782486  0.462910  0.714076  1
  Al  Al96  1  0.799717  0.845889  0.641736  1
  Al  Al97  1  0.213279  0.390635  0.698388  1
  Al  Al98  1  0.128354  0.499827  0.658050  1
  Al  Al99  1  0.189579  0.782482  0.622610  1
  Al  Al100  1  0.727631  0.133026  0.607703  1
  Al  Al101  1  0.628400  0.560115  0.689815  1
  Al  Al102  1  0.575629  0.852396  0.651614  1
  Al  Al103  1  0.398580  0.204041  0.686349  1
  Al  Al104  1  0.528021  0.496418  0.638273  1
  Al  Al105  1  0.317947  0.948475  0.708053  1
  Al  Al106  1  0.512133  0.148034  0.619731  1
  Al  Al107  1  0.588089  0.406599  0.592580  1
  Al  Al108  1  0.535325  0.944654  0.698326  1
  Al  Al109  1  0.464347  0.953471  0.617929  1
  Al  Al110  1  0.385205  0.546749  0.684569  1
  Al  Al111  1  0.294760  0.677189  0.658892  1
  Al  Al112  1  0.615940  0.204738  0.670180  1
  Al  Al113  1  0.660158  0.401923  0.665119  1
  Al  Al114  1  0.728705  0.652833  0.640789  1
  Al  Al115  1  0.242514  0.968367  0.632261  1
  Al  Al116  1  1.002830  0.432454  0.705146  1
  Al  Al117  1  0.081505  0.674074  0.668431  1
  Al  Al118  1  0.753387  0.095263  0.697715  1
  Al  Al119  1  0.873362  0.387350  0.657766  1
  Al  Al120  1  0.950587  0.664618  0.624194  1
  Cu  Cu121  1  0.115138  0.429778  0.299211  1
  Cu  Cu122  1  0.072390  0.860728  0.358587  1
  Cu  Cu123  1  0.226146  0.159034  0.320966  1
  Cu  Cu124  1  0.854394  0.538428  0.356776  1
  Cu  Cu125  1  0.911334  0.819493  0.318317  1
  Cu  Cu126  1  0.035079  0.178956  0.305027  1
  Cu  Cu127  1  0.469888  0.502700  0.324120  1
  Cu  Cu128  1  0.232025  0.933967  0.404816  1
  Cu  Cu129  1  0.384397  0.215422  0.358978  1
  Cu  Cu130  1  0.507263  0.678107  0.332618  1
  Cu  Cu131  1  0.503888  0.965819  0.302532  1
  Cu  Cu132  1  0.430196  0.390806  0.367174  1
  Cu  Cu133  1  0.718094  0.671712  0.325660  1
  Cu  Cu134  1  0.635666  0.081475  0.389244  1
  Cu  Cu135  1  0.641052  0.375943  0.358942  1
  Cu  Cu136  1  0.638407  0.724737  0.374034  1
  Cu  Cu137  1  0.662150  0.015723  0.341332  1
  Cu  Cu138  1  0.707605  0.314133  0.311155  1
  Cu  Cu139  1  0.298732  0.685692  0.344551  1
  Cu  Cu140  1  0.456072  0.019477  0.350651  1
  Cu  Cu141  1  0.221688  0.408768  0.379023  1
  Cu  Cu142  1  0.918794  0.649652  0.314465  1
  Cu  Cu143  1  0.829061  0.065007  0.382292  1
  Cu  Cu144  1  0.847464  0.363468  0.351777  1
  Cu  Cu145  1  0.049334  0.501351  0.344216  1
  Cu  Cu146  1  0.119543  0.803162  0.310426  1
  Cu  Cu147  1  0.936369  0.248046  0.387778  1
  Cu  Cu148  1  0.258898  0.511447  0.335689  1
  Cu  Cu149  1  0.332815  0.796592  0.303548  1
  Cu  Cu150  1  0.189124  0.231515  0.373364  1
  Cu  Cu151  1  0.983454  0.618942  0.399169  1
  Cu  Cu152  1  0.926957  0.043416  0.466140  1
  Cu  Cu153  1  0.876911  0.335734  0.435239  1
  Cu  Cu154  1  0.684678  0.693333  0.462096  1
  Cu  Cu155  1  0.672224  0.983408  0.430919  1
  Cu  Cu156  1  0.734299  0.257475  0.394477  1
  Cu  Cu157  1  0.308260  0.651303  0.433066  1
  Cu  Cu158  1  0.076234  0.097500  0.502946  1
  Cu  Cu159  1  0.221530  0.375606  0.468842  1
  Cu  Cu160  1  0.341593  0.822317  0.441933  1
  Cu  Cu161  1  0.532361  0.280523  0.399327  1
  Cu  Cu162  1  0.275835  0.551915  0.476918  1
  Cu  Cu163  1  0.572607  0.807975  0.430632  1
  Cu  Cu164  1  0.345081  0.260439  0.499917  1
  Cu  Cu165  1  0.490788  0.551245  0.471261  1
  Cu  Cu166  1  0.292936  0.903737  0.490314  1
  Cu  Cu167  1  0.413566  0.193851  0.449864  1
  Cu  Cu168  1  0.545037  0.451064  0.411144  1
  Cu  Cu169  1  0.143729  0.839336  0.453863  1
  Cu  Cu170  1  0.241325  0.119710  0.410151  1
  Cu  Cu171  1  0.061344  0.568045  0.487435  1
  Cu  Cu172  1  0.770828  0.794293  0.414337  1
  Cu  Cu173  1  0.554771  0.257704  0.492648  1
  Cu  Cu174  1  0.671131  0.512646  0.453030  1
  Cu  Cu175  1  0.907070  0.730264  0.454334  1
  Cu  Cu176  1  0.882296  0.963249  0.419279  1
  Cu  Cu177  1  0.798632  0.414917  0.482456  1
  Cu  Cu178  1  0.093922  0.671541  0.444807  1
  Cu  Cu179  1  0.063743  -0.006074  0.390501  1
  Cu  Cu180  1  0.007256  0.399287  0.476136  1
  Cu  Cu181  1  0.832113  0.779696  0.501497  1
  Cu  Cu182  1  0.610361  0.238787  0.573582  1
  Cu  Cu183  1  0.711486  0.499547  0.545898  1
  Cu  Cu184  1  0.318846  0.871952  0.579557  1
  Cu  Cu185  1  0.451550  0.156426  0.537036  1
  Cu  Cu186  1  0.604563  0.443031  0.500228  1
  Cu  Cu187  1  0.963551  0.859347  0.546047  1
  Cu  Cu188  1  0.936897  0.306539  0.609958  1
  Cu  Cu189  1  0.909709  0.571691  0.576905  1
  Cu  Cu190  1  0.172554  0.988092  0.537142  1
  Cu  Cu191  1  0.136944  0.275221  0.510932  1
  Cu  Cu192  1  0.049250  0.732303  0.574746  1
  Cu  Cu193  1  0.386523  0.975979  0.535358  1
  Cu  Cu194  1  0.155532  0.416800  0.609839  1
  Cu  Cu195  1  0.325078  0.708881  0.564685  1
  Cu  Cu196  1  0.142747  0.092023  0.589575  1
  Cu  Cu197  1  0.264991  0.349657  0.555130  1
  Cu  Cu198  1  0.378944  0.620099  0.521366  1
  Cu  Cu199  1  0.999398  0.050719  0.551432  1
  Cu  Cu200  1  0.941876  0.321099  0.521134  1
  Cu  Cu201  1  0.861307  0.768708  0.593353  1
  Cu  Cu202  1  0.601568  0.964733  0.526034  1
  Cu  Cu203  1  0.373444  0.414144  0.599497  1
  Cu  Cu204  1  0.541287  0.707250  0.554541  1
  Cu  Cu205  1  0.530757  0.867033  0.570585  1
  Cu  Cu206  1  0.667234  0.146225  0.527667  1
  Cu  Cu207  1  0.481860  0.606152  0.597713  1
  Cu  Cu208  1  0.742754  0.841368  0.557305  1
  Cu  Cu209  1  0.894182  0.143676  0.517321  1
  Cu  Cu210  1  0.691539  0.604180  0.586838  1
  Cu  Cu211  1  0.685380  0.947135  0.607081  1
  Cu  Cu212  1  0.450171  0.389681  0.686545  1
  Cu  Cu213  1  0.515819  0.667239  0.649660  1
  Cu  Cu214  1  0.205478  0.047049  0.680483  1
  Cu  Cu215  1  0.297674  0.378237  0.648954  1
  Cu  Cu216  1  0.322474  0.543262  0.628745  1
  Cu  Cu217  1  0.838480  0.030446  0.644707  1
  Cu  Cu218  1  0.592265  0.315711  0.712429  1
  Cu  Cu219  1  0.671709  0.746279  0.685334  1
  Cu  Cu220  1  0.947303  0.137433  0.604543  1
  Cu  Cu221  1  0.976583  0.487488  0.617563  1
  Cu  Cu222  1  0.967962  0.944649  0.677876  1
  Cu  Cu223  1  0.195976  0.217111  0.672039  1
  Cu  Cu224  1  0.980628  0.604596  0.713335  1
  Cu  Cu225  1  0.140504  0.861903  0.675731  1
  Cu  Cu226  1  0.975363  0.131996  0.680622  1
  Cu  Cu227  1  0.861638  0.558986  0.668655  1
  Cu  Cu228  1  0.012630  0.854486  0.633554  1
  Cu  Cu229  1  0.832400  0.201674  0.652619  1
  Cu  Cu230  1  0.769856  0.497558  0.621032  1
  Cu  Cu231  1  0.750321  0.925176  0.687188  1
  Cu  Cu232  1  0.303093  0.149886  0.635068  1
  Cu  Cu233  1  0.192264  0.582435  0.706371  1
  Cu  Cu234  1  0.356321  0.861373  0.662264  1
  Cu  Cu235  1  0.423903  0.046255  0.665019  1
  Cu  Cu236  1  0.469060  0.305797  0.638200  1
  Cu  Cu237  1  0.249767  0.763698  0.704403  1
  Cu  Cu238  1  0.633694  0.038701  0.652273  1
  Cu  Cu239  1  0.703729  0.299839  0.622742  1
  Cu  Cu240  1  0.458435  0.751509  0.694049  1
