# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12810650
_cell_length_b   9.82466175
_cell_length_c   46.05054666
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.28178457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4573.39780772
_cell_formula_units_Z   168
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  0.156994  0.293020  0.311336  1
  Cu  Cu2  1  0.545199  0.311534  0.301276  1
  Cu  Cu3  1  0.933707  0.331023  0.291909  1
  Cu  Cu4  1  0.156994  0.793020  0.311336  1
  Cu  Cu5  1  0.545199  0.811534  0.301276  1
  Cu  Cu6  1  0.933707  0.831023  0.291909  1
  Cu  Cu7  1  0.367864  0.076414  0.294153  1
  Cu  Cu8  1  0.755832  0.094445  0.284282  1
  Cu  Cu9  1  0.979880  0.059117  0.303170  1
  Cu  Cu10  1  0.367864  0.576414  0.294153  1
  Cu  Cu11  1  0.755832  0.594445  0.284282  1
  Cu  Cu12  1  0.979880  0.559117  0.303170  1
  Cu  Cu13  1  0.994454  0.235482  0.342444  1
  Cu  Cu14  1  0.380438  0.257852  0.331266  1
  Cu  Cu15  1  0.768813  0.276489  0.321160  1
  Cu  Cu16  1  0.994454  0.735482  0.342444  1
  Cu  Cu17  1  0.380438  0.757852  0.331266  1
  Cu  Cu18  1  0.768813  0.776489  0.321160  1
  Cu  Cu19  1  0.203681  0.022116  0.322834  1
  Cu  Cu20  1  0.592243  0.039713  0.313092  1
  Cu  Cu21  1  0.817842  0.002281  0.334081  1
  Cu  Cu22  1  0.203681  0.522116  0.322834  1
  Cu  Cu23  1  0.592243  0.539713  0.313092  1
  Cu  Cu24  1  0.817842  0.502281  0.334081  1
  Cu  Cu25  1  0.831748  0.177892  0.373488  1
  Cu  Cu26  1  0.219815  0.196529  0.362646  1
  Cu  Cu27  1  0.606613  0.216403  0.352267  1
  Cu  Cu28  1  0.831748  0.677892  0.373488  1
  Cu  Cu29  1  0.219815  0.696529  0.362646  1
  Cu  Cu30  1  0.606613  0.716403  0.352267  1
  Cu  Cu31  1  0.043510  0.962488  0.354168  1
  Cu  Cu32  1  0.430309  0.983043  0.344070  1
  Cu  Cu33  1  0.655330  0.943505  0.364818  1
  Cu  Cu34  1  0.043510  0.462488  0.354168  1
  Cu  Cu35  1  0.430309  0.483043  0.344070  1
  Cu  Cu36  1  0.655330  0.443505  0.364818  1
  Cu  Cu37  1  0.668673  0.119727  0.404779  1
  Cu  Cu38  1  0.056744  0.138534  0.394415  1
  Cu  Cu39  1  0.443755  0.158917  0.383726  1
  Cu  Cu40  1  0.668673  0.619727  0.404779  1
  Cu  Cu41  1  0.056744  0.638534  0.394415  1
  Cu  Cu42  1  0.443755  0.658917  0.383726  1
  Cu  Cu43  1  0.880526  0.905188  0.385825  1
  Cu  Cu44  1  0.267619  0.924648  0.374934  1
  Cu  Cu45  1  0.492843  0.885881  0.396029  1
  Cu  Cu46  1  0.880526  0.405188  0.385825  1
  Cu  Cu47  1  0.267619  0.424648  0.374934  1
  Cu  Cu48  1  0.492843  0.385881  0.396029  1
  Cu  Cu49  1  0.506017  0.061301  0.436232  1
  Cu  Cu50  1  0.893806  0.080584  0.425889  1
  Cu  Cu51  1  0.281355  0.099983  0.415212  1
  Cu  Cu52  1  0.506017  0.561301  0.436232  1
  Cu  Cu53  1  0.893806  0.580584  0.425889  1
  Cu  Cu54  1  0.281355  0.599983  0.415212  1
  Cu  Cu55  1  0.717896  0.846942  0.417097  1
  Cu  Cu56  1  0.105739  0.866053  0.406439  1
  Cu  Cu57  1  0.330408  0.827603  0.427397  1
  Cu  Cu58  1  0.717896  0.346942  0.417097  1
  Cu  Cu59  1  0.105739  0.366053  0.406439  1
  Cu  Cu60  1  0.330408  0.327603  0.427397  1
  Cu  Cu61  1  0.343471  0.002808  0.467696  1
  Cu  Cu62  1  0.730973  0.022368  0.457237  1
  Cu  Cu63  1  0.118747  0.041527  0.446763  1
  Cu  Cu64  1  0.343471  0.502808  0.467696  1
  Cu  Cu65  1  0.730973  0.522368  0.457237  1
  Cu  Cu66  1  0.118747  0.541527  0.446763  1
  Cu  Cu67  1  0.555242  0.788715  0.448399  1
  Cu  Cu68  1  0.943023  0.807961  0.437984  1
  Cu  Cu69  1  0.167882  0.769113  0.458846  1
  Cu  Cu70  1  0.555242  0.288715  0.448399  1
  Cu  Cu71  1  0.943023  0.307961  0.437984  1
  Cu  Cu72  1  0.167882  0.269113  0.458846  1
  Cu  Cu73  1  0.180851  0.944401  0.499151  1
  Cu  Cu74  1  0.568261  0.963993  0.488672  1
  Cu  Cu75  1  0.955964  0.983314  0.478219  1
  Cu  Cu76  1  0.180851  0.444401  0.499151  1
  Cu  Cu77  1  0.568261  0.463993  0.488672  1
  Cu  Cu78  1  0.955964  0.483314  0.478219  1
  Cu  Cu79  1  0.392635  0.730365  0.479819  1
  Cu  Cu80  1  0.780158  0.749815  0.469397  1
  Cu  Cu81  1  0.005138  0.710806  0.490310  1
  Cu  Cu82  1  0.392635  0.230365  0.479819  1
  Cu  Cu83  1  0.780158  0.249815  0.469397  1
  Cu  Cu84  1  0.005138  0.210806  0.490310  1
  Cu  Cu85  1  0.018104  0.886124  0.530547  1
  Cu  Cu86  1  0.405627  0.905574  0.520125  1
  Cu  Cu87  1  0.793124  0.925133  0.509634  1
  Cu  Cu88  1  0.018104  0.386124  0.530547  1
  Cu  Cu89  1  0.405627  0.405574  0.520125  1
  Cu  Cu90  1  0.793124  0.425133  0.509634  1
  Cu  Cu91  1  0.230001  0.671946  0.511272  1
  Cu  Cu92  1  0.617411  0.691539  0.500793  1
  Cu  Cu93  1  0.842298  0.652626  0.521725  1
  Cu  Cu94  1  0.230001  0.171946  0.511272  1
  Cu  Cu95  1  0.617411  0.191539  0.500793  1
  Cu  Cu96  1  0.842298  0.152626  0.521725  1
  Cu  Cu97  1  0.855239  0.827978  0.561960  1
  Cu  Cu98  1  0.243020  0.847224  0.551545  1
  Cu  Cu99  1  0.630380  0.866826  0.541098  1
  Cu  Cu100  1  0.855239  0.327978  0.561960  1
  Cu  Cu101  1  0.243020  0.347224  0.551545  1
  Cu  Cu102  1  0.630380  0.366826  0.541098  1
  Cu  Cu103  1  0.067289  0.613572  0.542707  1
  Cu  Cu104  1  0.454792  0.633131  0.532248  1
  Cu  Cu105  1  0.679515  0.594413  0.553181  1
  Cu  Cu106  1  0.067289  0.113572  0.542707  1
  Cu  Cu107  1  0.454792  0.133131  0.532248  1
  Cu  Cu108  1  0.679515  0.094413  0.553181  1
  Cu  Cu109  1  0.692523  0.769886  0.593505  1
  Cu  Cu110  1  0.080366  0.788998  0.582847  1
  Cu  Cu111  1  0.467854  0.808336  0.572547  1
  Cu  Cu112  1  0.692523  0.269886  0.593505  1
  Cu  Cu113  1  0.080366  0.288998  0.582847  1
  Cu  Cu114  1  0.467854  0.308336  0.572547  1
  Cu  Cu115  1  0.904457  0.555355  0.574055  1
  Cu  Cu116  1  0.292245  0.574638  0.563712  1
  Cu  Cu117  1  0.516907  0.535957  0.584731  1
  Cu  Cu118  1  0.904457  0.055355  0.574055  1
  Cu  Cu119  1  0.292245  0.074638  0.563712  1
  Cu  Cu120  1  0.516907  0.035957  0.584731  1
  Cu  Cu121  1  0.530644  0.711291  0.625010  1
  Cu  Cu122  1  0.917737  0.730751  0.614119  1
  Cu  Cu123  1  0.305419  0.750058  0.603915  1
  Cu  Cu124  1  0.530644  0.211291  0.625010  1
  Cu  Cu125  1  0.917737  0.230751  0.614119  1
  Cu  Cu126  1  0.305419  0.250058  0.603915  1
  Cu  Cu127  1  0.741518  0.497405  0.605529  1
  Cu  Cu128  1  0.129589  0.516212  0.595165  1
  Cu  Cu129  1  0.354507  0.477022  0.616218  1
  Cu  Cu130  1  0.741518  0.997405  0.605529  1
  Cu  Cu131  1  0.129589  0.016212  0.595165  1
  Cu  Cu132  1  0.354507  0.977022  0.616218  1
  Cu  Cu133  1  0.367953  0.652896  0.655874  1
  Cu  Cu134  1  0.754752  0.673451  0.645776  1
  Cu  Cu135  1  0.142932  0.692435  0.635126  1
  Cu  Cu136  1  0.367953  0.152896  0.655874  1
  Cu  Cu137  1  0.754752  0.173451  0.645776  1
  Cu  Cu138  1  0.142932  0.192435  0.635126  1
  Cu  Cu139  1  0.578448  0.439410  0.637298  1
  Cu  Cu140  1  0.966514  0.458048  0.626456  1
  Cu  Cu141  1  0.191649  0.419536  0.647677  1
  Cu  Cu142  1  0.578448  0.939410  0.637298  1
  Cu  Cu143  1  0.966514  0.958048  0.626456  1
  Cu  Cu144  1  0.191649  0.919536  0.647677  1
  Cu  Cu145  1  0.206020  0.596227  0.686852  1
  Cu  Cu146  1  0.594582  0.613823  0.677110  1
  Cu  Cu147  1  0.980420  0.633658  0.665863  1
  Cu  Cu148  1  0.206020  0.096227  0.686852  1
  Cu  Cu149  1  0.594582  0.113823  0.677110  1
  Cu  Cu150  1  0.980420  0.133658  0.665863  1
  Cu  Cu151  1  0.417824  0.378088  0.668678  1
  Cu  Cu152  1  0.803808  0.400457  0.657500  1
  Cu  Cu153  1  0.029449  0.359450  0.678784  1
  Cu  Cu154  1  0.417824  0.878088  0.668678  1
  Cu  Cu155  1  0.803808  0.900457  0.657500  1
  Cu  Cu156  1  0.029449  0.859450  0.678784  1
  Cu  Cu157  1  0.042431  0.541495  0.715662  1
  Cu  Cu158  1  0.430398  0.559525  0.705791  1
  Cu  Cu159  1  0.818382  0.576822  0.696774  1
  Cu  Cu160  1  0.042431  0.041495  0.715662  1
  Cu  Cu161  1  0.430398  0.059525  0.705791  1
  Cu  Cu162  1  0.818382  0.076822  0.696774  1
  Cu  Cu163  1  0.253063  0.324405  0.698668  1
  Cu  Cu164  1  0.641268  0.342919  0.688608  1
  Cu  Cu165  1  0.864555  0.304916  0.708035  1
  Cu  Cu166  1  0.253063  0.824405  0.698668  1
  Cu  Cu167  1  0.641268  0.842919  0.688608  1
  Cu  Cu168  1  0.864555  0.804916  0.708035  1
