# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27742877
_cell_length_b   30.89006373
_cell_length_c   46.77315059
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al90 Cu90'
_cell_volume   6180.13860105
_cell_formula_units_Z   90
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  0.990448  0.363361  0.418885  1
  Al  Al2  1  0.990448  0.060082  0.358607  1
  Al  Al3  1  0.990448  0.691848  0.395250  1
  Al  Al4  1  0.490448  0.338671  0.327326  1
  Al  Al5  1  0.490448  0.961322  0.421373  1
  Al  Al6  1  0.490448  0.633164  0.374024  1
  Al  Al7  1  0.490448  0.417272  0.417144  1
  Al  Al8  1  0.490448  0.111889  0.367011  1
  Al  Al9  1  0.490448  0.779226  0.316717  1
  Al  Al10  1  0.490448  0.266763  0.362041  1
  Al  Al11  1  0.490448  0.884168  0.332549  1
  Al  Al12  1  0.490448  0.558528  0.405261  1
  Al  Al13  1  0.490448  0.483092  0.376857  1
  Al  Al14  1  0.490448  0.189155  0.332021  1
  Al  Al15  1  0.490448  0.808855  0.422702  1
  Al  Al16  1  0.490448  0.538507  0.332043  1
  Al  Al17  1  0.490448  0.191322  0.392371  1
  Al  Al18  1  0.490448  0.883274  0.391376  1
  Al  Al19  1  0.990448  0.440357  0.449225  1
  Al  Al20  1  0.990448  0.137842  0.395448  1
  Al  Al21  1  0.990448  0.831970  0.332102  1
  Al  Al22  1  0.990448  0.280462  0.328774  1
  Al  Al23  1  0.990448  0.907282  0.421921  1
  Al  Al24  1  0.990448  0.560011  0.365483  1
  Al  Al25  1  0.990448  0.403161  0.324289  1
  Al  Al26  1  0.990448  0.058930  0.420806  1
  Al  Al27  1  0.990448  0.755372  0.357362  1
  Al  Al28  1  0.990448  0.290981  0.449372  1
  Al  Al29  1  0.990448  0.984476  0.390386  1
  Al  Al30  1  0.990448  0.655020  0.341900  1
  Al  Al31  1  0.990448  0.370113  0.537429  1
  Al  Al32  1  0.990448  0.060708  0.478198  1
  Al  Al33  1  0.990448  0.680265  0.573258  1
  Al  Al34  1  0.490448  0.268955  0.480200  1
  Al  Al35  1  0.490448  0.959720  0.537152  1
  Al  Al36  1  0.490448  0.576345  0.524394  1
  Al  Al37  1  0.490448  0.422793  0.538288  1
  Al  Al38  1  0.490448  0.111939  0.480992  1
  Al  Al39  1  0.490448  0.721310  0.448108  1
  Al  Al40  1  0.490448  0.190503  0.510578  1
  Al  Al41  1  0.490448  0.884093  0.452583  1
  Al  Al42  1  0.490448  0.508612  0.564406  1
  Al  Al43  1  0.490448  0.494913  0.504342  1
  Al  Al44  1  0.490448  0.188138  0.450158  1
  Al  Al45  1  0.490448  0.809271  0.537629  1
  Al  Al46  1  0.490448  0.494808  0.444380  1
  Al  Al47  1  0.490448  0.114365  0.539440  1
  Al  Al48  1  0.490448  0.804960  0.480209  1
  Al  Al49  1  0.990448  0.453763  0.569530  1
  Al  Al50  1  0.990448  0.063134  0.536646  1
  Al  Al51  1  0.990448  0.752280  0.479350  1
  Al  Al52  1  0.990448  0.215353  0.480486  1
  Al  Al53  1  0.990448  0.906118  0.537438  1
  Al  Al54  1  0.990448  0.598728  0.493244  1
  Al  Al55  1  0.990448  0.365802  0.480009  1
  Al  Al56  1  0.990448  0.986936  0.567480  1
  Al  Al57  1  0.990448  0.680160  0.513296  1
  Al  Al58  1  0.990448  0.290981  0.565055  1
  Al  Al59  1  0.990448  0.984570  0.507060  1
  Al  Al60  1  0.990448  0.666461  0.453232  1
  Al  Al61  1  0.990448  0.291799  0.626262  1
  Al  Al62  1  0.990448  0.983751  0.625267  1
  Al  Al63  1  0.990448  0.636566  0.685595  1
  Al  Al64  1  0.490448  0.267792  0.595717  1
  Al  Al65  1  0.490448  0.894611  0.688864  1
  Al  Al66  1  0.490448  0.615062  0.652155  1
  Al  Al67  1  0.490448  0.343104  0.685536  1
  Al  Al68  1  0.490448  0.037231  0.622190  1
  Al  Al69  1  0.490448  0.734716  0.568413  1
  Al  Al70  1  0.490448  0.190597  0.627252  1
  Al  Al71  1  0.490448  0.884093  0.568266  1
  Al  Al72  1  0.490448  0.520053  0.675738  1
  Al  Al73  1  0.490448  0.419701  0.660276  1
  Al  Al74  1  0.490448  0.116143  0.596832  1
  Al  Al75  1  0.490448  0.771912  0.693349  1
  Al  Al76  1  0.490448  0.483225  0.622388  1
  Al  Al77  1  0.490448  0.114991  0.659031  1
  Al  Al78  1  0.490448  0.811713  0.598753  1
  Al  Al79  1  0.990448  0.395848  0.700921  1
  Al  Al80  1  0.990448  0.063185  0.650627  1
  Al  Al81  1  0.990448  0.757801  0.600494  1
  Al  Al82  1  0.990448  0.213751  0.596265  1
  Al  Al83  1  0.990448  0.836402  0.690312  1
  Al  Al84  1  0.990448  0.541909  0.643614  1
  Al  Al85  1  0.990448  0.366218  0.594936  1
  Al  Al86  1  0.990448  0.985918  0.685617  1
  Al  Al87  1  0.990448  0.691981  0.640781  1
  Al  Al88  1  0.990448  0.290905  0.685089  1
  Al  Al89  1  0.990448  0.908310  0.655597  1
  Al  Al90  1  0.990448  0.616545  0.612377  1
  Cu  Cu91  1  0.990448  0.501216  0.408631  1
  Cu  Cu92  1  0.990448  0.211801  0.363573  1
  Cu  Cu93  1  0.990448  0.912070  0.308729  1
  Cu  Cu94  1  0.990448  0.429125  0.382563  1
  Cu  Cu95  1  0.990448  0.139157  0.336494  1
  Cu  Cu96  1  0.990448  0.761723  0.422919  1
  Cu  Cu97  1  0.990448  0.348324  0.363614  1
  Cu  Cu98  1  0.990448  0.980521  0.335317  1
  Cu  Cu99  1  0.990448  0.615364  0.403215  1
  Cu  Cu100  1  0.490448  0.334677  0.393648  1
  Cu  Cu101  1  0.490448  0.027884  0.336677  1
  Cu  Cu102  1  0.490448  0.633710  0.431268  1
  Cu  Cu103  1  0.490448  0.400277  0.362052  1
  Cu  Cu104  1  0.490448  0.103282  0.314638  1
  Cu  Cu105  1  0.490448  0.737967  0.392641  1
  Cu  Cu106  1  0.490448  0.343722  0.450263  1
  Cu  Cu107  1  0.490448  0.035532  0.392038  1
  Cu  Cu108  1  0.490448  0.705639  0.343807  1
  Cu  Cu109  1  0.490448  0.264867  0.421847  1
  Cu  Cu110  1  0.490448  0.957312  0.362540  1
  Cu  Cu111  1  0.490448  0.621968  0.318894  1
  Cu  Cu112  1  0.490448  0.452989  0.321879  1
  Cu  Cu113  1  0.490448  0.109119  0.424634  1
  Cu  Cu114  1  0.490448  0.808689  0.365810  1
  Cu  Cu115  1  0.990448  0.484503  0.342426  1
  Cu  Cu116  1  0.990448  0.214325  0.422233  1
  Cu  Cu117  1  0.990448  0.830670  0.391541  1
  Cu  Cu118  1  0.990448  0.282186  0.393022  1
  Cu  Cu119  1  0.990448  0.907310  0.363489  1
  Cu  Cu120  1  0.990448  0.578740  0.312165  1
  Cu  Cu121  1  0.990448  0.524041  0.532054  1
  Cu  Cu122  1  0.990448  0.139996  0.509333  1
  Cu  Cu123  1  0.990448  0.833262  0.452060  1
  Cu  Cu124  1  0.990448  0.444477  0.507744  1
  Cu  Cu125  1  0.990448  0.137951  0.451637  1
  Cu  Cu126  1  0.990448  0.758310  0.537952  1
  Cu  Cu127  1  0.990448  0.291369  0.509743  1
  Cu  Cu128  1  0.990448  0.983152  0.451016  1
  Cu  Cu129  1  0.990448  0.605022  0.549911  1
  Cu  Cu130  1  0.490448  0.266286  0.537105  1
  Cu  Cu131  1  0.490448  0.959527  0.479003  1
  Cu  Cu132  1  0.490448  0.607880  0.577021  1
  Cu  Cu133  1  0.490448  0.341780  0.509556  1
  Cu  Cu134  1  0.490448  0.033150  0.451001  1
  Cu  Cu135  1  0.490448  0.660656  0.539940  1
  Cu  Cu136  1  0.490448  0.341811  0.565578  1
  Cu  Cu137  1  0.490448  0.035077  0.508305  1
  Cu  Cu138  1  0.490448  0.651032  0.485584  1
  Cu  Cu139  1  0.490448  0.191922  0.566622  1
  Cu  Cu140  1  0.490448  0.883704  0.507895  1
  Cu  Cu141  1  0.490448  0.570051  0.467727  1
  Cu  Cu142  1  0.490448  0.416763  0.479686  1
  Cu  Cu143  1  0.490448  0.037122  0.566001  1
  Cu  Cu144  1  0.490448  0.730596  0.509894  1
  Cu  Cu145  1  0.990448  0.514417  0.477698  1
  Cu  Cu146  1  0.990448  0.141923  0.566637  1
  Cu  Cu147  1  0.990448  0.833293  0.508082  1
  Cu  Cu148  1  0.990448  0.215546  0.538635  1
  Cu  Cu149  1  0.990448  0.908787  0.480533  1
  Cu  Cu150  1  0.990448  0.567193  0.440617  1
  Cu  Cu151  1  0.990448  0.469434  0.673831  1
  Cu  Cu152  1  0.990448  0.139541  0.625600  1
  Cu  Cu153  1  0.990448  0.831351  0.567375  1
  Cu  Cu154  1  0.990448  0.366384  0.651828  1
  Cu  Cu155  1  0.990448  0.065954  0.593004  1
  Cu  Cu156  1  0.990448  0.722084  0.695759  1
  Cu  Cu157  1  0.990448  0.217761  0.655098  1
  Cu  Cu158  1  0.990448  0.910206  0.595791  1
  Cu  Cu159  1  0.990448  0.553105  0.698744  1
  Cu  Cu160  1  0.490448  0.267763  0.654149  1
  Cu  Cu161  1  0.490448  0.892887  0.624616  1
  Cu  Cu162  1  0.490448  0.596333  0.705474  1
  Cu  Cu163  1  0.490448  0.344403  0.626097  1
  Cu  Cu164  1  0.490448  0.960748  0.595406  1
  Cu  Cu165  1  0.490448  0.690570  0.675212  1
  Cu  Cu166  1  0.490448  0.263003  0.708909  1
  Cu  Cu167  1  0.490448  0.963272  0.654065  1
  Cu  Cu168  1  0.490448  0.673857  0.609007  1
  Cu  Cu169  1  0.490448  0.194552  0.682321  1
  Cu  Cu170  1  0.490448  0.826749  0.654025  1
  Cu  Cu171  1  0.490448  0.559709  0.614423  1
  Cu  Cu172  1  0.490448  0.413350  0.594719  1
  Cu  Cu173  1  0.490448  0.035916  0.681145  1
  Cu  Cu174  1  0.490448  0.745948  0.635075  1
  Cu  Cu175  1  0.990448  0.437106  0.624997  1
  Cu  Cu176  1  0.990448  0.071791  0.703000  1
  Cu  Cu177  1  0.990448  0.774796  0.655586  1
  Cu  Cu178  1  0.990448  0.147189  0.680961  1
  Cu  Cu179  1  0.990448  0.840396  0.623990  1
  Cu  Cu180  1  0.990448  0.541363  0.586370  1
