# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23840223
_cell_length_b   13.05402964
_cell_length_c   46.55484342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu216
_cell_volume   5723.56103766
_cell_formula_units_Z   216
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
  Cu  Cu1  1  0.430645  0.102455  0.312339  1
  Cu  Cu2  1  0.930645  0.102455  0.312339  1
  Cu  Cu3  1  0.069089  0.825561  0.280724  1
  Cu  Cu4  1  0.999313  0.465129  0.296479  1
  Cu  Cu5  1  0.569089  0.825561  0.280724  1
  Cu  Cu6  1  0.499313  0.465129  0.296479  1
  Cu  Cu7  1  0.214821  0.284109  0.304586  1
  Cu  Cu8  1  0.714821  0.284109  0.304586  1
  Cu  Cu9  1  0.146257  0.921220  0.320348  1
  Cu  Cu10  1  0.783993  0.645766  0.288382  1
  Cu  Cu11  1  0.646257  0.921220  0.320348  1
  Cu  Cu12  1  0.283993  0.645766  0.288382  1
  Cu  Cu13  1  0.464821  0.284109  0.304586  1
  Cu  Cu14  1  0.964821  0.284109  0.304586  1
  Cu  Cu15  1  0.396257  0.921220  0.320348  1
  Cu  Cu16  1  0.033993  0.645766  0.288382  1
  Cu  Cu17  1  0.896257  0.921220  0.320348  1
  Cu  Cu18  1  0.533993  0.645766  0.288382  1
  Cu  Cu19  1  0.680645  0.102455  0.312339  1
  Cu  Cu20  1  0.180645  0.102455  0.312339  1
  Cu  Cu21  1  0.319089  0.825561  0.280724  1
  Cu  Cu22  1  0.249313  0.465129  0.296479  1
  Cu  Cu23  1  0.819089  0.825561  0.280724  1
  Cu  Cu24  1  0.749313  0.465129  0.296479  1
  Cu  Cu25  1  0.726272  0.011174  0.361764  1
  Cu  Cu26  1  0.226272  0.011174  0.361764  1
  Cu  Cu27  1  0.362638  0.738457  0.328885  1
  Cu  Cu28  1  0.294849  0.374029  0.345336  1
  Cu  Cu29  1  0.862638  0.738457  0.328885  1
  Cu  Cu30  1  0.794849  0.374029  0.345336  1
  Cu  Cu31  1  0.510676  0.192371  0.353401  1
  Cu  Cu32  1  0.010676  0.192371  0.353401  1
  Cu  Cu33  1  0.442034  0.829648  0.370405  1
  Cu  Cu34  1  0.078926  0.555878  0.337155  1
  Cu  Cu35  1  0.942034  0.829648  0.370405  1
  Cu  Cu36  1  0.578926  0.555878  0.337155  1
  Cu  Cu37  1  0.760676  0.192371  0.353401  1
  Cu  Cu38  1  0.260676  0.192371  0.353401  1
  Cu  Cu39  1  0.692034  0.829648  0.370405  1
  Cu  Cu40  1  0.328926  0.555878  0.337155  1
  Cu  Cu41  1  0.192034  0.829648  0.370405  1
  Cu  Cu42  1  0.828926  0.555878  0.337155  1
  Cu  Cu43  1  0.976272  0.011174  0.361764  1
  Cu  Cu44  1  0.476272  0.011174  0.361764  1
  Cu  Cu45  1  0.612638  0.738457  0.328885  1
  Cu  Cu46  1  0.544849  0.374029  0.345336  1
  Cu  Cu47  1  0.112638  0.738457  0.328885  1
  Cu  Cu48  1  0.044849  0.374029  0.345336  1
  Cu  Cu49  1  0.021895  0.919908  0.412144  1
  Cu  Cu50  1  0.521895  0.919908  0.412144  1
  Cu  Cu51  1  0.658151  0.647409  0.378844  1
  Cu  Cu52  1  0.590316  0.283072  0.395339  1
  Cu  Cu53  1  0.158151  0.647409  0.378844  1
  Cu  Cu54  1  0.090316  0.283072  0.395339  1
  Cu  Cu55  1  0.806152  0.101396  0.403651  1
  Cu  Cu56  1  0.306152  0.101396  0.403651  1
  Cu  Cu57  1  0.737792  0.738108  0.420601  1
  Cu  Cu58  1  0.374270  0.465170  0.387136  1
  Cu  Cu59  1  0.237792  0.738108  0.420601  1
  Cu  Cu60  1  0.874270  0.465170  0.387136  1
  Cu  Cu61  1  0.056152  0.101396  0.403651  1
  Cu  Cu62  1  0.556152  0.101396  0.403651  1
  Cu  Cu63  1  0.987792  0.738108  0.420601  1
  Cu  Cu64  1  0.624270  0.465170  0.387136  1
  Cu  Cu65  1  0.487792  0.738108  0.420601  1
  Cu  Cu66  1  0.124270  0.465170  0.387136  1
  Cu  Cu67  1  0.271895  0.919908  0.412144  1
  Cu  Cu68  1  0.771895  0.919908  0.412144  1
  Cu  Cu69  1  0.908151  0.647409  0.378844  1
  Cu  Cu70  1  0.840316  0.283072  0.395339  1
  Cu  Cu71  1  0.408151  0.647409  0.378844  1
  Cu  Cu72  1  0.340316  0.283072  0.395339  1
  Cu  Cu73  1  0.317511  0.828649  0.462389  1
  Cu  Cu74  1  0.817511  0.828649  0.462389  1
  Cu  Cu75  1  0.953798  0.556094  0.428937  1
  Cu  Cu76  1  0.885790  0.192100  0.445513  1
  Cu  Cu77  1  0.453798  0.556094  0.428937  1
  Cu  Cu78  1  0.385790  0.192100  0.445513  1
  Cu  Cu79  1  0.101645  0.010387  0.453941  1
  Cu  Cu80  1  0.601645  0.010387  0.453941  1
  Cu  Cu81  1  0.033449  0.646770  0.470753  1
  Cu  Cu82  1  0.669834  0.374017  0.437203  1
  Cu  Cu83  1  0.533449  0.646770  0.470753  1
  Cu  Cu84  1  0.169834  0.374017  0.437203  1
  Cu  Cu85  1  0.351645  0.010387  0.453941  1
  Cu  Cu86  1  0.851645  0.010387  0.453941  1
  Cu  Cu87  1  0.283449  0.646770  0.470753  1
  Cu  Cu88  1  0.919834  0.374017  0.437203  1
  Cu  Cu89  1  0.783449  0.646770  0.470753  1
  Cu  Cu90  1  0.419834  0.374017  0.437203  1
  Cu  Cu91  1  0.567511  0.828649  0.462389  1
  Cu  Cu92  1  0.067511  0.828649  0.462389  1
  Cu  Cu93  1  0.203798  0.556094  0.428937  1
  Cu  Cu94  1  0.135790  0.192100  0.445513  1
  Cu  Cu95  1  0.703798  0.556094  0.428937  1
  Cu  Cu96  1  0.635790  0.192100  0.445513  1
  Cu  Cu97  1  0.613101  0.737446  0.512578  1
  Cu  Cu98  1  0.113101  0.737446  0.512578  1
  Cu  Cu99  1  0.249441  0.464783  0.479043  1
  Cu  Cu100  1  0.181322  0.101012  0.495739  1
  Cu  Cu101  1  0.749441  0.464783  0.479043  1
  Cu  Cu102  1  0.681322  0.101012  0.495739  1
  Cu  Cu103  1  0.397195  0.919263  0.504185  1
  Cu  Cu104  1  0.897195  0.919263  0.504185  1
  Cu  Cu105  1  0.329076  0.555492  0.520881  1
  Cu  Cu106  1  0.965416  0.282829  0.487347  1
  Cu  Cu107  1  0.829076  0.555492  0.520881  1
  Cu  Cu108  1  0.465416  0.282829  0.487347  1
  Cu  Cu109  1  0.647195  0.919263  0.504185  1
  Cu  Cu110  1  0.147195  0.919263  0.504185  1
  Cu  Cu111  1  0.579076  0.555492  0.520881  1
  Cu  Cu112  1  0.215416  0.282829  0.487347  1
  Cu  Cu113  1  0.079076  0.555492  0.520881  1
  Cu  Cu114  1  0.715416  0.282829  0.487347  1
  Cu  Cu115  1  0.863101  0.737446  0.512578  1
  Cu  Cu116  1  0.363101  0.737446  0.512578  1
  Cu  Cu117  1  0.499441  0.464783  0.479043  1
  Cu  Cu118  1  0.431322  0.101012  0.495739  1
  Cu  Cu119  1  0.999441  0.464783  0.479043  1
  Cu  Cu120  1  0.931322  0.101012  0.495739  1
  Cu  Cu121  1  0.908683  0.646258  0.562721  1
  Cu  Cu122  1  0.408683  0.646258  0.562721  1
  Cu  Cu123  1  0.545068  0.373505  0.529171  1
  Cu  Cu124  1  0.476872  0.009888  0.545983  1
  Cu  Cu125  1  0.045068  0.373505  0.529171  1
  Cu  Cu126  1  0.976872  0.009888  0.545983  1
  Cu  Cu127  1  0.692727  0.828175  0.554412  1
  Cu  Cu128  1  0.192727  0.828175  0.554412  1
  Cu  Cu129  1  0.624719  0.464181  0.570988  1
  Cu  Cu130  1  0.261006  0.191625  0.537536  1
  Cu  Cu131  1  0.124719  0.464181  0.570988  1
  Cu  Cu132  1  0.761006  0.191625  0.537536  1
  Cu  Cu133  1  0.942727  0.828175  0.554412  1
  Cu  Cu134  1  0.442727  0.828175  0.554412  1
  Cu  Cu135  1  0.874719  0.464181  0.570988  1
  Cu  Cu136  1  0.511006  0.191625  0.537536  1
  Cu  Cu137  1  0.374719  0.464181  0.570988  1
  Cu  Cu138  1  0.011006  0.191625  0.537536  1
  Cu  Cu139  1  0.158683  0.646258  0.562721  1
  Cu  Cu140  1  0.658683  0.646258  0.562721  1
  Cu  Cu141  1  0.795068  0.373505  0.529171  1
  Cu  Cu142  1  0.726872  0.009888  0.545983  1
  Cu  Cu143  1  0.295068  0.373505  0.529171  1
  Cu  Cu144  1  0.226872  0.009888  0.545983  1
  Cu  Cu145  1  0.204247  0.555105  0.612789  1
  Cu  Cu146  1  0.704247  0.555105  0.612789  1
  Cu  Cu147  1  0.840725  0.282167  0.579324  1
  Cu  Cu148  1  0.772365  0.918879  0.596273  1
  Cu  Cu149  1  0.340725  0.282167  0.579324  1
  Cu  Cu150  1  0.272365  0.918879  0.596273  1
  Cu  Cu151  1  0.988201  0.737202  0.604586  1
  Cu  Cu152  1  0.488201  0.737202  0.604586  1
  Cu  Cu153  1  0.920366  0.372866  0.621081  1
  Cu  Cu154  1  0.556622  0.100367  0.587780  1
  Cu  Cu155  1  0.420366  0.372866  0.621081  1
  Cu  Cu156  1  0.056622  0.100367  0.587780  1
  Cu  Cu157  1  0.238201  0.737202  0.604586  1
  Cu  Cu158  1  0.738201  0.737202  0.604586  1
  Cu  Cu159  1  0.170366  0.372866  0.621081  1
  Cu  Cu160  1  0.806622  0.100367  0.587780  1
  Cu  Cu161  1  0.670366  0.372866  0.621081  1
  Cu  Cu162  1  0.306622  0.100367  0.587780  1
  Cu  Cu163  1  0.454247  0.555105  0.612789  1
  Cu  Cu164  1  0.954247  0.555105  0.612789  1
  Cu  Cu165  1  0.090725  0.282167  0.579324  1
  Cu  Cu166  1  0.022365  0.918879  0.596273  1
  Cu  Cu167  1  0.590725  0.282167  0.579324  1
  Cu  Cu168  1  0.522365  0.918879  0.596273  1
  Cu  Cu169  1  0.499591  0.464397  0.662769  1
  Cu  Cu170  1  0.999591  0.464397  0.662769  1
  Cu  Cu171  1  0.136483  0.190627  0.629520  1
  Cu  Cu172  1  0.067841  0.827904  0.646523  1
  Cu  Cu173  1  0.636483  0.190627  0.629520  1
  Cu  Cu174  1  0.567841  0.827904  0.646523  1
  Cu  Cu175  1  0.283668  0.646245  0.654588  1
  Cu  Cu176  1  0.783668  0.646245  0.654588  1
  Cu  Cu177  1  0.215880  0.281818  0.671040  1
  Cu  Cu178  1  0.852245  0.009101  0.638161  1
  Cu  Cu179  1  0.715880  0.281818  0.671040  1
  Cu  Cu180  1  0.352245  0.009101  0.638161  1
  Cu  Cu181  1  0.533668  0.646245  0.654588  1
  Cu  Cu182  1  0.033668  0.646245  0.654588  1
  Cu  Cu183  1  0.465880  0.281818  0.671040  1
  Cu  Cu184  1  0.102245  0.009101  0.638161  1
  Cu  Cu185  1  0.965880  0.281818  0.671040  1
  Cu  Cu186  1  0.602245  0.009101  0.638161  1
  Cu  Cu187  1  0.749591  0.464397  0.662769  1
  Cu  Cu188  1  0.249591  0.464397  0.662769  1
  Cu  Cu189  1  0.386483  0.190627  0.629520  1
  Cu  Cu190  1  0.317841  0.827904  0.646523  1
  Cu  Cu191  1  0.886483  0.190627  0.629520  1
  Cu  Cu192  1  0.817841  0.827904  0.646523  1
  Cu  Cu193  1  0.794524  0.374508  0.711543  1
  Cu  Cu194  1  0.294524  0.374508  0.711543  1
  Cu  Cu195  1  0.432260  0.099055  0.679577  1
  Cu  Cu196  1  0.363696  0.736166  0.695338  1
  Cu  Cu197  1  0.932260  0.099055  0.679577  1
  Cu  Cu198  1  0.863696  0.736166  0.695338  1
  Cu  Cu199  1  0.579204  0.555146  0.703446  1
  Cu  Cu200  1  0.079204  0.555146  0.703446  1
  Cu  Cu201  1  0.509428  0.194714  0.719201  1
  Cu  Cu202  1  0.147872  0.917820  0.687586  1
  Cu  Cu203  1  0.009428  0.194714  0.719201  1
  Cu  Cu204  1  0.647872  0.917820  0.687586  1
  Cu  Cu205  1  0.829204  0.555146  0.703446  1
  Cu  Cu206  1  0.329204  0.555146  0.703446  1
  Cu  Cu207  1  0.759428  0.194714  0.719201  1
  Cu  Cu208  1  0.397872  0.917820  0.687586  1
  Cu  Cu209  1  0.259428  0.194714  0.719201  1
  Cu  Cu210  1  0.897872  0.917820  0.687586  1
  Cu  Cu211  1  0.044524  0.374508  0.711543  1
  Cu  Cu212  1  0.544524  0.374508  0.711543  1
  Cu  Cu213  1  0.682260  0.099055  0.679577  1
  Cu  Cu214  1  0.613696  0.736166  0.695338  1
  Cu  Cu215  1  0.182260  0.099055  0.679577  1
  Cu  Cu216  1  0.113696  0.736166  0.695338  1
