# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27401369
_cell_length_b   28.42320964
_cell_length_c   50.66701865
_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   6155.0895741
_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  0.990840  0.218323  0.363489  1
  Al  Al2  1  -0.009160  0.869611  0.298513  1
  Al  Al3  1  -0.009160  0.039639  0.304448  1
  Al  Al4  1  0.490840  0.275155  0.434389  1
  Al  Al5  1  0.490840  0.815521  0.348901  1
  Al  Al6  1  0.490840  0.077242  0.378079  1
  Al  Al7  1  0.490840  0.248428  0.332769  1
  Al  Al8  1  0.490840  0.485336  0.394350  1
  Al  Al9  1  0.490840  0.982186  0.298735  1
  Al  Al10  1  0.490840  0.566243  0.307470  1
  Al  Al11  1  0.490840  0.729256  0.371128  1
  Al  Al12  1  0.490840  0.989549  0.401931  1
  Al  Al13  1  0.490840  0.365047  0.323269  1
  Al  Al14  1  0.490840  0.564116  0.363905  1
  Al  Al15  1  0.490840  0.818203  0.400833  1
  Al  Al16  1  0.490840  0.478170  0.329706  1
  Al  Al17  1  0.490840  0.648348  0.339893  1
  Al  Al18  1  0.490840  0.905654  0.425991  1
  Al  Al19  1  0.990840  0.469727  0.361799  1
  Al  Al20  1  -0.009160  0.699074  0.400011  1
  Al  Al21  1  -0.009160  0.208286  0.310210  1
  Al  Al22  1  -0.009160  0.043461  0.410988  1
  Al  Al23  1  -0.009160  0.633056  0.309528  1
  Al  Al24  1  -0.009160  0.870358  0.352554  1
  Al  Al25  1  -0.009160  0.301067  0.393614  1
  Al  Al26  1  -0.009160  0.613450  0.423936  1
  Al  Al27  1  -0.009160  0.121903  0.338965  1
  Al  Al28  1  0.990840  0.133655  0.390818  1
  Al  Al29  1  -0.009160  0.727060  0.286926  1
  Al  Al30  1  -0.009160  0.953892  0.328380  1
  Al  Al31  1  -0.009160  0.985089  0.537790  1
  Al  Al32  1  -0.009160  0.506406  0.436659  1
  Al  Al33  1  -0.009160  0.697127  0.456929  1
  Al  Al34  1  0.490840  0.951345  0.575952  1
  Al  Al35  1  0.490840  0.539413  0.465300  1
  Al  Al36  1  0.490840  0.747006  0.523478  1
  Al  Al37  1  0.490840  0.920466  0.477319  1
  Al  Al38  1  0.490840  0.121390  0.532536  1
  Al  Al39  1  0.490840  0.730602  0.424826  1
  Al  Al40  1  0.490840  0.189447  0.459329  1
  Al  Al41  1  0.490840  0.443449  0.489747  1
  Al  Al42  1  0.490840  0.656143  0.541907  1
  Al  Al43  1  0.490840  1.004915  0.453914  1
  Al  Al44  1  0.490840  0.206965  0.510863  1
  Al  Al45  1  0.490840  0.415045  0.545526  1
  Al  Al46  1  0.490840  0.089694  0.431438  1
  Al  Al47  1  0.490840  0.291729  0.487147  1
  Al  Al48  1  0.490840  0.503434  0.528170  1
  Al  Al49  1  -0.009160  0.157059  0.491809  1
  Al  Al50  1  -0.009160  0.346572  0.542247  1
  Al  Al51  1  -0.009160  0.872433  0.457350  1
  Al  Al52  1  -0.009160  0.805910  0.535132  1
  Al  Al53  1  0.990840  0.333346  0.441411  1
  Al  Al54  1  -0.009160  0.511949  0.494389  1
  Al  Al55  1  -0.009160  0.068670  0.512946  1
  Al  Al56  1  -0.009160  0.265695  0.569674  1
  Al  Al57  1  -0.009160  0.787075  0.483828  1
  Al  Al58  1  -0.009160  0.890196  0.510117  1
  Al  Al59  1  -0.009160  0.417853  0.408955  1
  Al  Al60  1  -0.009160  0.607698  0.479212  1
  Al  Al61  1  -0.009160  0.661105  0.677558  1
  Al  Al62  1  -0.009160  0.181416  0.593168  1
  Al  Al63  1  -0.009160  0.466254  0.619578  1
  Al  Al64  1  0.490840  0.625002  0.706916  1
  Al  Al65  1  0.490840  0.183510  0.626443  1
  Al  Al66  1  0.490840  0.440702  0.658735  1
  Al  Al67  1  0.490840  0.604237  0.608714  1
  Al  Al68  1  0.490840  0.805001  0.675173  1
  Al  Al69  1  0.490840  0.343769  0.577600  1
  Al  Al70  1  0.490840  0.866965  0.597969  1
  Al  Al71  1  0.490840  0.093561  0.645219  1
  Al  Al72  1  0.490840  0.357609  0.682711  1
  Al  Al73  1  0.490840  0.691981  0.590869  1
  Al  Al74  1  0.490840  0.885034  0.648583  1
  Al  Al75  1  0.490840  0.159970  0.682553  1
  Al  Al76  1  0.490840  0.777160  0.572315  1
  Al  Al77  1  0.490840  0.970260  0.628095  1
  Al  Al78  1  0.490840  0.255195  0.664495  1
  Al  Al79  1  -0.009160  0.833520  0.635840  1
  Al  Al80  1  -0.009160  0.082710  0.680974  1
  Al  Al81  1  0.990840  0.634297  0.574369  1
  Al  Al82  1  -0.009160  0.489155  0.672062  1
  Al  Al83  1  -0.009160  1.003101  0.590295  1
  Al  Al84  1  -0.009160  0.248303  0.631033  1
  Al  Al85  1  0.990840  0.749168  0.659406  1
  Al  Al86  1  0.990840  0.991092  0.697291  1
  Al  Al87  1  0.990840  0.545574  0.592420  1
  Al  Al88  1  -0.009160  0.571106  0.643756  1
  Al  Al89  1  -0.009160  0.088576  0.563911  1
  Al  Al90  1  -0.009160  0.335300  0.607882  1
  Cu  Cu91  1  -0.009160  0.302363  0.335831  1
  Cu  Cu92  1  -0.009160  0.553829  0.337885  1
  Cu  Cu93  1  0.990840  0.784452  0.377180  1
  Cu  Cu94  1  0.990840  0.372901  0.363267  1
  Cu  Cu95  1  0.990840  0.544911  0.390468  1
  Cu  Cu96  1  -0.009160  0.124619  0.288346  1
  Cu  Cu97  1  0.990840  0.220007  0.418700  1
  Cu  Cu98  1  -0.009160  0.788780  0.324866  1
  Cu  Cu99  1  -0.009160  0.034506  0.357838  1
  Cu  Cu100  1  0.490840  0.244572  0.387252  1
  Cu  Cu101  1  0.490840  0.814777  0.297982  1
  Cu  Cu102  1  0.490840  0.986065  0.351366  1
  Cu  Cu103  1  0.490840  0.321543  0.365445  1
  Cu  Cu104  1  0.490840  0.563887  0.417421  1
  Cu  Cu105  1  0.490840  0.067863  0.327950  1
  Cu  Cu106  1  0.490840  0.164541  0.359916  1
  Cu  Cu107  1  0.490840  0.362059  0.410164  1
  Cu  Cu108  1  0.490840  0.898763  0.323997  1
  Cu  Cu109  1  0.490840  0.171035  0.410451  1
  Cu  Cu110  1  0.490840  0.734256  0.319310  1
  Cu  Cu111  1  0.490840  0.904655  0.374794  1
  Cu  Cu112  1  0.490840  0.411820  0.367380  1
  Cu  Cu113  1  0.490840  0.643468  0.394420  1
  Cu  Cu114  1  0.490840  0.152933  0.310967  1
  Cu  Cu115  1  -0.009160  0.417169  0.320583  1
  Cu  Cu116  1  -0.009160  0.625640  0.368073  1
  Cu  Cu117  1  0.990840  0.870956  0.403954  1
  Cu  Cu118  1  -0.009160  0.500409  0.301111  1
  Cu  Cu119  1  -0.009160  0.706735  0.344200  1
  Cu  Cu120  1  -0.009160  0.953177  0.381492  1
  Cu  Cu121  1  -0.009160  0.958790  0.434619  1
  Cu  Cu122  1  -0.009160  0.245642  0.467067  1
  Cu  Cu123  1  -0.009160  0.427793  0.516939  1
  Cu  Cu124  1  -0.009160  0.975933  0.485443  1
  Cu  Cu125  1  -0.009160  0.178196  0.541775  1
  Cu  Cu126  1  -0.009160  0.786588  0.429792  1
  Cu  Cu127  1  -0.009160  0.900867  0.561191  1
  Cu  Cu128  1  -0.009160  0.422700  0.462735  1
  Cu  Cu129  1  0.990840  0.693533  0.511005  1
  Cu  Cu130  1  0.490840  0.937385  0.526331  1
  Cu  Cu131  1  0.490840  0.446912  0.438465  1
  Cu  Cu132  1  0.490840  0.664765  0.491275  1
  Cu  Cu133  1  0.490840  1.017027  0.503949  1
  Cu  Cu134  1  0.490840  0.207910  0.563464  1
  Cu  Cu135  1  0.490840  0.743455  0.473623  1
  Cu  Cu136  1  0.490840  0.834410  0.500141  1
  Cu  Cu137  1  0.490840  0.035260  0.552785  1
  Cu  Cu138  1  0.490840  0.641227  0.445901  1
  Cu  Cu139  1  0.490840  0.858218  0.547274  1
  Cu  Cu140  1  0.490840  0.368769  0.461538  1
  Cu  Cu141  1  0.490840  0.584972  0.508919  1
  Cu  Cu142  1  0.490840  0.100356  0.481698  1
  Cu  Cu143  1  0.490840  0.287205  0.538894  1
  Cu  Cu144  1  0.490840  0.821074  0.451399  1
  Cu  Cu145  1  -0.009160  0.058212  0.462761  1
  Cu  Cu146  1  -0.009160  0.260324  0.516328  1
  Cu  Cu147  1  0.990840  0.488727  0.553805  1
  Cu  Cu148  1  -0.009160  0.140812  0.442115  1
  Cu  Cu149  1  0.990840  0.347762  0.491886  1
  Cu  Cu150  1  -0.009160  0.575872  0.534277  1
  Cu  Cu151  1  0.990840  0.722215  0.558386  1
  Cu  Cu152  1  -0.009160  0.916787  0.610161  1
  Cu  Cu153  1  -0.009160  0.156654  0.650245  1
  Cu  Cu154  1  0.990840  0.658840  0.625430  1
  Cu  Cu155  1  -0.009160  0.869712  0.683234  1
  Cu  Cu156  1  -0.009160  0.413127  0.578780  1
  Cu  Cu157  1  -0.009160  0.575558  0.695308  1
  Cu  Cu158  1  -0.009160  0.097683  0.613836  1
  Cu  Cu159  1  -0.009160  0.390134  0.648131  1
  Cu  Cu160  1  0.490840  0.622258  0.657291  1
  Cu  Cu161  1  0.490840  0.127731  0.585076  1
  Cu  Cu162  1  0.490840  0.410013  0.611308  1
  Cu  Cu163  1  0.490840  0.703364  0.640361  1
  Cu  Cu164  1  0.490840  0.934361  0.689069  1
  Cu  Cu165  1  0.490840  0.482715  0.582574  1
  Cu  Cu166  1  0.490840  0.518638  0.628482  1
  Cu  Cu167  1  0.490840  0.713008  0.688566  1
  Cu  Cu168  1  0.490840  0.264456  0.602085  1
  Cu  Cu169  1  0.490840  0.541780  0.676380  1
  Cu  Cu170  1  0.490840  0.047719  0.602248  1
  Cu  Cu171  1  0.490840  0.332076  0.636075  1
  Cu  Cu172  1  0.490840  0.784873  0.623576  1
  Cu  Cu173  1  0.490840  1.017018  0.671745  1
  Cu  Cu174  1  0.490840  0.568705  0.562274  1
  Cu  Cu175  1  0.990840  0.742300  0.607618  1
  Cu  Cu176  1  -0.009160  0.942341  0.656836  1
  Cu  Cu177  1  -0.009160  0.219009  0.684287  1
  Cu  Cu178  1  0.990840  0.822334  0.585235  1
  Cu  Cu179  1  -0.009160  0.025512  0.641097  1
  Cu  Cu180  1  0.990840  0.310763  0.667623  1
