# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62565960
_cell_length_b   11.37424878
_cell_length_c   48.93632775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.74995206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al48 Cu144'
_cell_volume   5263.75055835
_cell_formula_units_Z   48
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  0.492888  0.261037  0.290786  1
  Al  Al2  1  0.088046  0.197465  0.331390  1
  Al  Al3  1  0.992888  0.761037  0.290786  1
  Al  Al4  1  0.588046  0.697465  0.331390  1
  Al  Al5  1  0.711819  0.034511  0.279281  1
  Al  Al6  1  0.304499  0.972030  0.318643  1
  Al  Al7  1  0.211819  0.534511  0.279281  1
  Al  Al8  1  0.804499  0.472030  0.318643  1
  Al  Al9  1  0.683646  0.134869  0.369526  1
  Al  Al10  1  0.279680  0.070945  0.408142  1
  Al  Al11  1  0.183646  0.634869  0.369526  1
  Al  Al12  1  0.779680  0.570945  0.408142  1
  Al  Al13  1  0.899530  0.908173  0.356099  1
  Al  Al14  1  0.496004  0.844445  0.394536  1
  Al  Al15  1  0.399530  0.408173  0.356099  1
  Al  Al16  1  0.996004  0.344445  0.394536  1
  Al  Al17  1  0.875478  0.007291  0.446579  1
  Al  Al18  1  0.471453  0.943444  0.485100  1
  Al  Al19  1  0.375478  0.507291  0.446579  1
  Al  Al20  1  0.971453  0.443444  0.485100  1
  Al  Al21  1  0.091993  0.780758  0.433049  1
  Al  Al22  1  0.687860  0.716933  0.471659  1
  Al  Al23  1  0.591993  0.280758  0.433049  1
  Al  Al24  1  0.187860  0.216933  0.471659  1
  Al  Al25  1  0.067330  0.879682  0.523633  1
  Al  Al26  1  0.663197  0.815857  0.562243  1
  Al  Al27  1  0.567330  0.379682  0.523633  1
  Al  Al28  1  0.163197  0.315857  0.562243  1
  Al  Al29  1  0.283738  0.653171  0.510192  1
  Al  Al30  1  0.879712  0.589324  0.548713  1
  Al  Al31  1  0.783738  0.153171  0.510192  1
  Al  Al32  1  0.379712  0.089324  0.548713  1
  Al  Al33  1  0.259186  0.752171  0.600757  1
  Al  Al34  1  0.855660  0.688442  0.639193  1
  Al  Al35  1  0.759186  0.252171  0.600757  1
  Al  Al36  1  0.355660  0.188442  0.639193  1
  Al  Al37  1  0.475510  0.525670  0.587150  1
  Al  Al38  1  0.071544  0.461746  0.625766  1
  Al  Al39  1  0.975510  0.025670  0.587150  1
  Al  Al40  1  0.571544  0.961746  0.625766  1
  Al  Al41  1  0.450691  0.624585  0.676649  1
  Al  Al42  1  0.043371  0.562104  0.716011  1
  Al  Al43  1  0.950691  0.124585  0.676649  1
  Al  Al44  1  0.543371  0.062104  0.716011  1
  Al  Al45  1  0.667144  0.399150  0.663902  1
  Al  Al46  1  0.262303  0.335578  0.704506  1
  Al  Al47  1  0.167144  0.899150  0.663902  1
  Al  Al48  1  0.762303  0.835578  0.704506  1
  Cu  Cu49  1  0.442258  0.039775  0.274090  1
  Cu  Cu50  1  0.034794  0.979841  0.310719  1
  Cu  Cu51  1  0.942258  0.539775  0.274090  1
  Cu  Cu52  1  0.534794  0.479841  0.310719  1
  Cu  Cu53  1  0.761459  0.252450  0.299049  1
  Cu  Cu54  1  0.356693  0.189469  0.337359  1
  Cu  Cu55  1  0.261459  0.752450  0.299049  1
  Cu  Cu56  1  0.856693  0.689469  0.337359  1
  Cu  Cu57  1  0.610594  0.307064  0.339976  1
  Cu  Cu58  1  0.015965  0.370439  0.301749  1
  Cu  Cu59  1  0.110594  0.807064  0.339976  1
  Cu  Cu60  1  0.515965  0.870439  0.301749  1
  Cu  Cu61  1  0.565376  0.089912  0.321136  1
  Cu  Cu62  1  0.969493  0.154055  0.283774  1
  Cu  Cu63  1  0.065376  0.589912  0.321136  1
  Cu  Cu64  1  0.469493  0.654055  0.283774  1
  Cu  Cu65  1  0.689236  0.427725  0.271566  1
  Cu  Cu66  1  0.280031  0.361921  0.307740  1
  Cu  Cu67  1  0.189236  0.927725  0.271566  1
  Cu  Cu68  1  0.780031  0.861921  0.307740  1
  Cu  Cu69  1  0.827521  0.080852  0.327299  1
  Cu  Cu70  1  0.231470  0.144154  0.289003  1
  Cu  Cu71  1  0.327521  0.580852  0.327299  1
  Cu  Cu72  1  0.731470  0.644154  0.289003  1
  Cu  Cu73  1  0.632153  0.918180  0.349000  1
  Cu  Cu74  1  0.228466  0.854605  0.387491  1
  Cu  Cu75  1  0.132153  0.418180  0.349000  1
  Cu  Cu76  1  0.728466  0.354605  0.387491  1
  Cu  Cu77  1  0.950719  0.124377  0.376555  1
  Cu  Cu78  1  0.547090  0.060912  0.414967  1
  Cu  Cu79  1  0.450719  0.624377  0.376555  1
  Cu  Cu80  1  0.047090  0.560912  0.414967  1
  Cu  Cu81  1  0.803502  0.180757  0.417649  1
  Cu  Cu82  1  0.207987  0.244238  0.379141  1
  Cu  Cu83  1  0.303502  0.680757  0.417649  1
  Cu  Cu84  1  0.707987  0.744238  0.379141  1
  Cu  Cu85  1  0.755344  0.961973  0.398381  1
  Cu  Cu86  1  0.159268  0.025664  0.360061  1
  Cu  Cu87  1  0.255344  0.461973  0.398381  1
  Cu  Cu88  1  0.659268  0.525664  0.360061  1
  Cu  Cu89  1  0.876322  0.297896  0.346462  1
  Cu  Cu90  1  0.472157  0.235127  0.384880  1
  Cu  Cu91  1  0.376322  0.797896  0.346462  1
  Cu  Cu92  1  0.972157  0.735127  0.384880  1
  Cu  Cu93  1  0.019809  0.953337  0.404324  1
  Cu  Cu94  1  0.424837  0.018074  0.365955  1
  Cu  Cu95  1  0.519809  0.453337  0.404324  1
  Cu  Cu96  1  0.924837  0.518074  0.365955  1
  Cu  Cu97  1  0.824644  0.790858  0.426262  1
  Cu  Cu98  1  0.420490  0.727088  0.464799  1
  Cu  Cu99  1  0.324644  0.290858  0.426262  1
  Cu  Cu100  1  0.920490  0.227088  0.464799  1
  Cu  Cu101  1  0.142907  0.997057  0.453476  1
  Cu  Cu102  1  0.738812  0.933315  0.491964  1
  Cu  Cu103  1  0.642907  0.497057  0.453476  1
  Cu  Cu104  1  0.238812  0.433315  0.491964  1
  Cu  Cu105  1  0.995331  0.053117  0.494692  1
  Cu  Cu106  1  0.399530  0.116906  0.456195  1
  Cu  Cu107  1  0.495331  0.553117  0.494692  1
  Cu  Cu108  1  0.899530  0.616906  0.456195  1
  Cu  Cu109  1  0.947562  0.834526  0.475431  1
  Cu  Cu110  1  0.351620  0.898231  0.436872  1
  Cu  Cu111  1  0.447562  0.334526  0.475431  1
  Cu  Cu112  1  0.851620  0.398231  0.436872  1
  Cu  Cu113  1  0.068092  0.171165  0.423562  1
  Cu  Cu114  1  0.663955  0.107369  0.462077  1
  Cu  Cu115  1  0.568092  0.671165  0.423562  1
  Cu  Cu116  1  0.163955  0.607369  0.462077  1
  Cu  Cu117  1  0.211757  0.825818  0.481295  1
  Cu  Cu118  1  0.615826  0.889594  0.442782  1
  Cu  Cu119  1  0.711757  0.325818  0.481295  1
  Cu  Cu120  1  0.115826  0.389594  0.442782  1
  Cu  Cu121  1  0.016378  0.663300  0.503329  1
  Cu  Cu122  1  0.612283  0.599558  0.541817  1
  Cu  Cu123  1  0.516378  0.163300  0.503329  1
  Cu  Cu124  1  0.112283  0.099558  0.541817  1
  Cu  Cu125  1  0.334700  0.869527  0.530494  1
  Cu  Cu126  1  0.930546  0.805757  0.569030  1
  Cu  Cu127  1  0.834700  0.369527  0.530494  1
  Cu  Cu128  1  0.430546  0.305757  0.569030  1
  Cu  Cu129  1  0.187099  0.925450  0.571730  1
  Cu  Cu130  1  0.591235  0.989246  0.533215  1
  Cu  Cu131  1  0.687099  0.425450  0.571730  1
  Cu  Cu132  1  0.091235  0.489246  0.533215  1
  Cu  Cu133  1  0.139364  0.707021  0.552510  1
  Cu  Cu134  1  0.543433  0.770797  0.513997  1
  Cu  Cu135  1  0.639364  0.207021  0.552510  1
  Cu  Cu136  1  0.043433  0.270797  0.513997  1
  Cu  Cu137  1  0.259859  0.043499  0.500600  1
  Cu  Cu138  1  0.855660  0.979710  0.539098  1
  Cu  Cu139  1  0.759859  0.543499  0.500600  1
  Cu  Cu140  1  0.355660  0.479710  0.539098  1
  Cu  Cu141  1  0.403571  0.698385  0.558420  1
  Cu  Cu142  1  0.807628  0.762089  0.519862  1
  Cu  Cu143  1  0.903571  0.198385  0.558420  1
  Cu  Cu144  1  0.307628  0.262089  0.519862  1
  Cu  Cu145  1  0.208100  0.535703  0.580325  1
  Cu  Cu146  1  0.804472  0.472239  0.618737  1
  Cu  Cu147  1  0.708100  0.035703  0.580325  1
  Cu  Cu148  1  0.304472  0.972239  0.618737  1
  Cu  Cu149  1  0.526725  0.742010  0.607801  1
  Cu  Cu150  1  0.123037  0.678435  0.646292  1
  Cu  Cu151  1  0.026725  0.242010  0.607801  1
  Cu  Cu152  1  0.623037  0.178435  0.646292  1
  Cu  Cu153  1  0.378869  0.798720  0.648830  1
  Cu  Cu154  1  0.783034  0.861488  0.610412  1
  Cu  Cu155  1  0.878869  0.298720  0.648830  1
  Cu  Cu156  1  0.283034  0.361488  0.610412  1
  Cu  Cu157  1  0.330353  0.578541  0.629337  1
  Cu  Cu158  1  0.735382  0.643279  0.590968  1
  Cu  Cu159  1  0.830353  0.078541  0.629337  1
  Cu  Cu160  1  0.235382  0.143279  0.590968  1
  Cu  Cu161  1  0.451689  0.915858  0.577643  1
  Cu  Cu162  1  0.047203  0.852378  0.616151  1
  Cu  Cu163  1  0.951689  0.415858  0.577643  1
  Cu  Cu164  1  0.547203  0.352378  0.616151  1
  Cu  Cu165  1  0.595922  0.570951  0.635231  1
  Cu  Cu166  1  0.999846  0.634642  0.596911  1
  Cu  Cu167  1  0.095922  0.070951  0.635231  1
  Cu  Cu168  1  0.499846  0.134642  0.596911  1
  Cu  Cu169  1  0.398497  0.407146  0.657933  1
  Cu  Cu170  1  0.993731  0.344166  0.696243  1
  Cu  Cu171  1  0.898497  0.907146  0.657933  1
  Cu  Cu172  1  0.493731  0.844166  0.696243  1
  Cu  Cu173  1  0.720397  0.616774  0.684573  1
  Cu  Cu174  1  0.312932  0.556841  0.721202  1
  Cu  Cu175  1  0.220397  0.116774  0.684573  1
  Cu  Cu176  1  0.812932  0.056841  0.721202  1
  Cu  Cu177  1  0.565954  0.668890  0.723726  1
  Cu  Cu178  1  0.975160  0.734695  0.687553  1
  Cu  Cu179  1  0.065954  0.168890  0.723726  1
  Cu  Cu180  1  0.475160  0.234695  0.687553  1
  Cu  Cu181  1  0.523721  0.452461  0.706289  1
  Cu  Cu182  1  0.927669  0.515763  0.667993  1
  Cu  Cu183  1  0.023721  0.952461  0.706289  1
  Cu  Cu184  1  0.427669  0.015763  0.667993  1
  Cu  Cu185  1  0.644596  0.789551  0.655316  1
  Cu  Cu186  1  0.239225  0.726176  0.693543  1
  Cu  Cu187  1  0.144596  0.289551  0.655316  1
  Cu  Cu188  1  0.739225  0.226176  0.693543  1
  Cu  Cu189  1  0.785698  0.442560  0.711518  1
  Cu  Cu190  1  0.189814  0.506703  0.674156  1
  Cu  Cu191  1  0.285698  0.942560  0.711518  1
  Cu  Cu192  1  0.689814  0.006703  0.674156  1
