# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22652749
_cell_length_b   15.97068827
_cell_length_c   47.23601608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al36 Cu108'
_cell_volume   3942.84889429
_cell_formula_units_Z   36
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  0.501757  0.610536  0.333651  1
  Al  Al2  1  0.501757  0.369947  0.281989  1
  Al  Al3  1  0.501757  0.988558  0.307371  1
  Al  Al4  1  1.001757  0.599272  0.278042  1
  Al  Al5  1  1.001757  0.223467  0.302088  1
  Al  Al6  1  0.001757  0.840606  0.329665  1
  Al  Al7  1  0.501757  0.468362  0.410323  1
  Al  Al8  1  0.501757  0.228906  0.359057  1
  Al  Al9  1  0.501757  0.848885  0.384690  1
  Al  Al10  1  0.001757  0.461048  0.355111  1
  Al  Al11  1  0.001757  0.080762  0.380610  1
  Al  Al12  1  0.001757  0.700329  0.406390  1
  Al  Al13  1  0.501757  0.327242  0.487285  1
  Al  Al14  1  0.501757  0.088098  0.435933  1
  Al  Al15  1  0.501757  0.707625  0.461621  1
  Al  Al16  1  1.001757  0.319843  0.432052  1
  Al  Al17  1  0.001757  0.939462  0.457679  1
  Al  Al18  1  0.001757  0.559064  0.483349  1
  Al  Al19  1  0.501757  0.186091  0.564242  1
  Al  Al20  1  0.501757  0.946871  0.512945  1
  Al  Al21  1  0.501757  0.566473  0.538615  1
  Al  Al22  1  1.001757  0.178693  0.509009  1
  Al  Al23  1  1.001757  0.798310  0.534673  1
  Al  Al24  1  1.001757  0.417837  0.560361  1
  Al  Al25  1  0.501757  0.044887  0.641183  1
  Al  Al26  1  0.501757  0.805606  0.589904  1
  Al  Al27  1  0.501757  0.425173  0.615684  1
  Al  Al28  1  1.001757  0.037573  0.585971  1
  Al  Al29  1  1.001757  0.657050  0.611604  1
  Al  Al30  1  1.001757  0.277029  0.637237  1
  Al  Al31  1  0.501757  0.906663  0.718252  1
  Al  Al32  1  0.501757  0.665328  0.666628  1
  Al  Al33  1  0.501757  0.282468  0.694206  1
  Al  Al34  1  0.001757  0.895399  0.662642  1
  Al  Al35  1  1.001757  0.517377  0.688923  1
  Al  Al36  1  1.001757  0.135988  0.714305  1
  Cu  Cu37  1  1.001757  0.613373  0.333428  1
  Cu  Cu38  1  1.001757  0.377378  0.283561  1
  Cu  Cu39  1  1.001757  0.991855  0.307981  1
  Cu  Cu40  1  0.501757  0.598434  0.278808  1
  Cu  Cu41  1  0.501757  0.218944  0.303362  1
  Cu  Cu42  1  0.501757  0.837405  0.329127  1
  Cu  Cu43  1  0.253153  0.490247  0.308170  1
  Cu  Cu44  1  0.249959  0.109971  0.333134  1
  Cu  Cu45  1  0.250151  0.868715  0.282930  1
  Cu  Cu46  1  0.750362  0.490247  0.308170  1
  Cu  Cu47  1  0.753556  0.109971  0.333134  1
  Cu  Cu48  1  0.753364  0.868715  0.282930  1
  Cu  Cu49  1  0.253436  0.721265  0.302907  1
  Cu  Cu50  1  0.253290  0.341235  0.329318  1
  Cu  Cu51  1  0.251230  0.100073  0.279016  1
  Cu  Cu52  1  0.750079  0.721265  0.302907  1
  Cu  Cu53  1  0.750225  0.341235  0.329318  1
  Cu  Cu54  1  0.752285  0.100073  0.279016  1
  Cu  Cu55  1  1.001757  0.471692  0.410942  1
  Cu  Cu56  1  0.001757  0.232417  0.358984  1
  Cu  Cu57  1  0.001757  0.852325  0.385307  1
  Cu  Cu58  1  0.501757  0.457702  0.354624  1
  Cu  Cu59  1  0.501757  0.077208  0.380006  1
  Cu  Cu60  1  0.501757  0.696846  0.405720  1
  Cu  Cu61  1  0.250798  0.348723  0.384670  1
  Cu  Cu62  1  0.251105  0.968682  0.410325  1
  Cu  Cu63  1  0.250628  0.729185  0.359013  1
  Cu  Cu64  1  0.752717  0.348723  0.384670  1
  Cu  Cu65  1  0.752410  0.968682  0.410325  1
  Cu  Cu66  1  0.752887  0.729185  0.359013  1
  Cu  Cu67  1  0.251704  0.580472  0.380655  1
  Cu  Cu68  1  0.251866  0.200077  0.406258  1
  Cu  Cu69  1  0.252379  0.961043  0.354855  1
  Cu  Cu70  1  0.751811  0.580472  0.380655  1
  Cu  Cu71  1  0.751649  0.200077  0.406258  1
  Cu  Cu72  1  0.751136  0.961043  0.354855  1
  Cu  Cu73  1  1.001757  0.330602  0.487907  1
  Cu  Cu74  1  1.001757  0.091365  0.436563  1
  Cu  Cu75  1  1.001757  0.710982  0.462247  1
  Cu  Cu76  1  0.501757  0.316415  0.431398  1
  Cu  Cu77  1  0.501757  0.936138  0.457066  1
  Cu  Cu78  1  0.501757  0.555719  0.482739  1
  Cu  Cu79  1  0.251134  0.207781  0.461668  1
  Cu  Cu80  1  0.251146  0.827416  0.487337  1
  Cu  Cu81  1  0.251132  0.588190  0.436010  1
  Cu  Cu82  1  0.752381  0.207781  0.461668  1
  Cu  Cu83  1  0.752369  0.827416  0.487337  1
  Cu  Cu84  1  0.752383  0.588190  0.436010  1
  Cu  Cu85  1  0.252404  0.439291  0.457651  1
  Cu  Cu86  1  0.252383  0.058908  0.483290  1
  Cu  Cu87  1  0.252407  0.819695  0.431997  1
  Cu  Cu88  1  0.751111  0.439291  0.457651  1
  Cu  Cu89  1  0.751132  0.058908  0.483290  1
  Cu  Cu90  1  0.751108  0.819695  0.431997  1
  Cu  Cu91  1  0.001757  0.189519  0.564896  1
  Cu  Cu92  1  1.001757  0.950216  0.513555  1
  Cu  Cu93  1  1.001757  0.569797  0.539228  1
  Cu  Cu94  1  0.501757  0.175333  0.508386  1
  Cu  Cu95  1  0.501757  0.794952  0.534047  1
  Cu  Cu96  1  0.501757  0.414570  0.559730  1
  Cu  Cu97  1  0.251111  0.066644  0.538643  1
  Cu  Cu98  1  0.251108  0.686240  0.564297  1
  Cu  Cu99  1  0.251132  0.447026  0.513004  1
  Cu  Cu100  1  0.752404  0.066644  0.538643  1
  Cu  Cu101  1  0.752407  0.686240  0.564297  1
  Cu  Cu102  1  0.752383  0.447026  0.513004  1
  Cu  Cu103  1  0.252381  0.298153  0.534626  1
  Cu  Cu104  1  0.252383  0.917745  0.560284  1
  Cu  Cu105  1  0.252369  0.678519  0.508957  1
  Cu  Cu106  1  0.751134  0.298153  0.534626  1
  Cu  Cu107  1  0.751132  0.917745  0.560284  1
  Cu  Cu108  1  0.751146  0.678519  0.508957  1
  Cu  Cu109  1  0.001757  0.048233  0.641670  1
  Cu  Cu110  1  1.001757  0.809088  0.590574  1
  Cu  Cu111  1  0.001757  0.428727  0.616288  1
  Cu  Cu112  1  0.501757  0.034243  0.585351  1
  Cu  Cu113  1  0.501757  0.653609  0.610987  1
  Cu  Cu114  1  0.501757  0.273518  0.637310  1
  Cu  Cu115  1  0.251811  0.925462  0.615639  1
  Cu  Cu116  1  0.251136  0.544892  0.641439  1
  Cu  Cu117  1  0.251649  0.305858  0.590036  1
  Cu  Cu118  1  0.751704  0.925462  0.615639  1
  Cu  Cu119  1  0.752379  0.544892  0.641439  1
  Cu  Cu120  1  0.751866  0.305858  0.590036  1
  Cu  Cu121  1  0.252717  0.157212  0.611624  1
  Cu  Cu122  1  0.252887  0.776749  0.637281  1
  Cu  Cu123  1  0.252410  0.537253  0.585969  1
  Cu  Cu124  1  0.750798  0.157212  0.611624  1
  Cu  Cu125  1  0.750628  0.776749  0.637281  1
  Cu  Cu126  1  0.751105  0.537253  0.585969  1
  Cu  Cu127  1  0.001757  0.907500  0.717486  1
  Cu  Cu128  1  1.001757  0.668530  0.667167  1
  Cu  Cu129  1  1.001757  0.286991  0.692931  1
  Cu  Cu130  1  0.501757  0.892562  0.662866  1
  Cu  Cu131  1  0.501757  0.514079  0.688313  1
  Cu  Cu132  1  0.501757  0.128557  0.712733  1
  Cu  Cu133  1  0.250079  0.784669  0.693387  1
  Cu  Cu134  1  0.252285  0.405862  0.717278  1
  Cu  Cu135  1  0.250225  0.164700  0.666976  1
  Cu  Cu136  1  0.753436  0.784669  0.693387  1
  Cu  Cu137  1  0.751230  0.405862  0.717278  1
  Cu  Cu138  1  0.753290  0.164700  0.666976  1
  Cu  Cu139  1  0.250362  0.015688  0.688124  1
  Cu  Cu140  1  0.253364  0.637220  0.713363  1
  Cu  Cu141  1  0.253556  0.395964  0.663160  1
  Cu  Cu142  1  0.753153  0.015688  0.688124  1
  Cu  Cu143  1  0.750151  0.637220  0.713363  1
  Cu  Cu144  1  0.749959  0.395964  0.663160  1
