# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11349776
_cell_length_b   9.81408645
_cell_length_c   46.15769263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.28505044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4573.21311318
_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  0.156633  0.293656  0.310322  1
  Cu  Cu2  1  0.544498  0.312076  0.300331  1
  Cu  Cu3  1  0.933577  0.331506  0.291194  1
  Cu  Cu4  1  0.156633  0.793656  0.310322  1
  Cu  Cu5  1  0.544498  0.812076  0.300331  1
  Cu  Cu6  1  0.933577  0.831506  0.291194  1
  Cu  Cu7  1  0.367715  0.077352  0.293428  1
  Cu  Cu8  1  0.755633  0.094880  0.283709  1
  Cu  Cu9  1  0.979873  0.059919  0.302277  1
  Cu  Cu10  1  0.367715  0.577352  0.293428  1
  Cu  Cu11  1  0.755633  0.594880  0.283709  1
  Cu  Cu12  1  0.979873  0.559919  0.302277  1
  Cu  Cu13  1  0.994476  0.235882  0.341477  1
  Cu  Cu14  1  0.380086  0.258993  0.330164  1
  Cu  Cu15  1  0.768431  0.277661  0.320091  1
  Cu  Cu16  1  0.994476  0.735882  0.341477  1
  Cu  Cu17  1  0.380086  0.758993  0.330164  1
  Cu  Cu18  1  0.768431  0.777661  0.320091  1
  Cu  Cu19  1  0.203672  0.022729  0.321640  1
  Cu  Cu20  1  0.592369  0.039888  0.312079  1
  Cu  Cu21  1  0.818179  0.002894  0.333210  1
  Cu  Cu22  1  0.203672  0.522729  0.321640  1
  Cu  Cu23  1  0.592369  0.539888  0.312079  1
  Cu  Cu24  1  0.818179  0.502894  0.333210  1
  Cu  Cu25  1  0.831767  0.178524  0.372373  1
  Cu  Cu26  1  0.219891  0.196853  0.361485  1
  Cu  Cu27  1  0.606607  0.216864  0.351120  1
  Cu  Cu28  1  0.831767  0.678524  0.372373  1
  Cu  Cu29  1  0.219891  0.696853  0.361485  1
  Cu  Cu30  1  0.606607  0.716864  0.351120  1
  Cu  Cu31  1  0.043889  0.962815  0.353067  1
  Cu  Cu32  1  0.430552  0.983663  0.343093  1
  Cu  Cu33  1  0.655583  0.943979  0.363749  1
  Cu  Cu34  1  0.043889  0.462815  0.353067  1
  Cu  Cu35  1  0.430552  0.483663  0.343093  1
  Cu  Cu36  1  0.655583  0.443979  0.363749  1
  Cu  Cu37  1  0.668678  0.120374  0.403615  1
  Cu  Cu38  1  0.056821  0.138948  0.393316  1
  Cu  Cu39  1  0.443684  0.159663  0.382576  1
  Cu  Cu40  1  0.668678  0.620374  0.403615  1
  Cu  Cu41  1  0.056821  0.638948  0.393316  1
  Cu  Cu42  1  0.443684  0.659663  0.382576  1
  Cu  Cu43  1  0.880927  0.905739  0.384764  1
  Cu  Cu44  1  0.267788  0.925255  0.373778  1
  Cu  Cu45  1  0.493224  0.886438  0.394889  1
  Cu  Cu46  1  0.880927  0.405739  0.384764  1
  Cu  Cu47  1  0.267788  0.425255  0.373778  1
  Cu  Cu48  1  0.493224  0.386438  0.394889  1
  Cu  Cu49  1  0.506024  0.061992  0.435040  1
  Cu  Cu50  1  0.893857  0.081208  0.424743  1
  Cu  Cu51  1  0.281428  0.100525  0.414038  1
  Cu  Cu52  1  0.506024  0.561992  0.435040  1
  Cu  Cu53  1  0.893857  0.581208  0.424743  1
  Cu  Cu54  1  0.281428  0.600525  0.414038  1
  Cu  Cu55  1  0.718323  0.847561  0.415957  1
  Cu  Cu56  1  0.106236  0.866494  0.405272  1
  Cu  Cu57  1  0.330828  0.828272  0.426207  1
  Cu  Cu58  1  0.718323  0.347561  0.415957  1
  Cu  Cu59  1  0.106236  0.366494  0.405272  1
  Cu  Cu60  1  0.330828  0.328272  0.426207  1
  Cu  Cu61  1  0.343538  0.003495  0.466485  1
  Cu  Cu62  1  0.731002  0.023095  0.456031  1
  Cu  Cu63  1  0.118841  0.042097  0.445587  1
  Cu  Cu64  1  0.343538  0.503495  0.466485  1
  Cu  Cu65  1  0.731002  0.523095  0.456031  1
  Cu  Cu66  1  0.118841  0.542097  0.445587  1
  Cu  Cu67  1  0.555676  0.789425  0.447190  1
  Cu  Cu68  1  0.943518  0.808587  0.436818  1
  Cu  Cu69  1  0.168382  0.769763  0.457627  1
  Cu  Cu70  1  0.555676  0.289425  0.447190  1
  Cu  Cu71  1  0.943518  0.308587  0.436818  1
  Cu  Cu72  1  0.168382  0.269763  0.457627  1
  Cu  Cu73  1  0.180949  0.945116  0.497912  1
  Cu  Cu74  1  0.568300  0.964765  0.487433  1
  Cu  Cu75  1  0.956041  0.984012  0.477005  1
  Cu  Cu76  1  0.180949  0.445116  0.497912  1
  Cu  Cu77  1  0.568300  0.464765  0.487433  1
  Cu  Cu78  1  0.956041  0.484012  0.477005  1
  Cu  Cu79  1  0.393099  0.731130  0.478573  1
  Cu  Cu80  1  0.780613  0.750564  0.468178  1
  Cu  Cu81  1  0.005638  0.711538  0.489066  1
  Cu  Cu82  1  0.393099  0.231130  0.478573  1
  Cu  Cu83  1  0.780613  0.250564  0.468178  1
  Cu  Cu84  1  0.005638  0.211538  0.489066  1
  Cu  Cu85  1  0.018187  0.886933  0.529257  1
  Cu  Cu86  1  0.405701  0.906367  0.518861  1
  Cu  Cu87  1  0.793162  0.925958  0.508369  1
  Cu  Cu88  1  0.018187  0.386933  0.529257  1
  Cu  Cu89  1  0.405701  0.406367  0.518861  1
  Cu  Cu90  1  0.793162  0.425958  0.508369  1
  Cu  Cu91  1  0.230500  0.672731  0.510002  1
  Cu  Cu92  1  0.617851  0.692381  0.499523  1
  Cu  Cu93  1  0.842759  0.653485  0.520430  1
  Cu  Cu94  1  0.230500  0.172731  0.510002  1
  Cu  Cu95  1  0.617851  0.192381  0.499523  1
  Cu  Cu96  1  0.842759  0.153485  0.520430  1
  Cu  Cu97  1  0.855282  0.828910  0.560617  1
  Cu  Cu98  1  0.243124  0.848072  0.550245  1
  Cu  Cu99  1  0.630418  0.867733  0.539807  1
  Cu  Cu100  1  0.855282  0.328910  0.560617  1
  Cu  Cu101  1  0.243124  0.348072  0.550245  1
  Cu  Cu102  1  0.630418  0.367733  0.539807  1
  Cu  Cu103  1  0.067798  0.614402  0.541404  1
  Cu  Cu104  1  0.455262  0.634002  0.530949  1
  Cu  Cu105  1  0.679959  0.595400  0.551848  1
  Cu  Cu106  1  0.067798  0.114402  0.541404  1
  Cu  Cu107  1  0.455262  0.134002  0.530949  1
  Cu  Cu108  1  0.679959  0.095400  0.551848  1
  Cu  Cu109  1  0.692564  0.771003  0.592163  1
  Cu  Cu110  1  0.080477  0.789935  0.581477  1
  Cu  Cu111  1  0.467972  0.809224  0.571228  1
  Cu  Cu112  1  0.692564  0.271003  0.592163  1
  Cu  Cu113  1  0.080477  0.289935  0.581477  1
  Cu  Cu114  1  0.467972  0.309224  0.571228  1
  Cu  Cu115  1  0.904943  0.556289  0.572692  1
  Cu  Cu116  1  0.292776  0.575505  0.562394  1
  Cu  Cu117  1  0.517371  0.536971  0.583396  1
  Cu  Cu118  1  0.904943  0.056289  0.572692  1
  Cu  Cu119  1  0.292776  0.075505  0.562394  1
  Cu  Cu120  1  0.517371  0.036971  0.583396  1
  Cu  Cu121  1  0.531012  0.712242  0.623657  1
  Cu  Cu122  1  0.917873  0.731758  0.612670  1
  Cu  Cu123  1  0.305576  0.751058  0.602545  1
  Cu  Cu124  1  0.531012  0.212242  0.623657  1
  Cu  Cu125  1  0.917873  0.231758  0.612670  1
  Cu  Cu126  1  0.305576  0.251058  0.602545  1
  Cu  Cu127  1  0.741979  0.498549  0.604119  1
  Cu  Cu128  1  0.130122  0.517123  0.593820  1
  Cu  Cu129  1  0.355116  0.477834  0.614858  1
  Cu  Cu130  1  0.741979  0.998549  0.604119  1
  Cu  Cu131  1  0.130122  0.017123  0.593820  1
  Cu  Cu132  1  0.355116  0.977834  0.614858  1
  Cu  Cu133  1  0.368248  0.653833  0.654341  1
  Cu  Cu134  1  0.754911  0.674682  0.644367  1
  Cu  Cu135  1  0.143217  0.693518  0.633685  1
  Cu  Cu136  1  0.368248  0.153833  0.654341  1
  Cu  Cu137  1  0.754911  0.174682  0.644367  1
  Cu  Cu138  1  0.143217  0.193518  0.633685  1
  Cu  Cu139  1  0.578909  0.440644  0.635949  1
  Cu  Cu140  1  0.967033  0.458973  0.625061  1
  Cu  Cu141  1  0.192193  0.420632  0.646315  1
  Cu  Cu142  1  0.578909  0.940644  0.635949  1
  Cu  Cu143  1  0.967033  0.958973  0.625061  1
  Cu  Cu144  1  0.192193  0.920632  0.646315  1
  Cu  Cu145  1  0.206431  0.597608  0.685356  1
  Cu  Cu146  1  0.595128  0.614768  0.675794  1
  Cu  Cu147  1  0.980621  0.634602  0.664225  1
  Cu  Cu148  1  0.206431  0.097608  0.685356  1
  Cu  Cu149  1  0.595128  0.114768  0.675794  1
  Cu  Cu150  1  0.980621  0.134602  0.664225  1
  Cu  Cu151  1  0.418713  0.378504  0.667270  1
  Cu  Cu152  1  0.804323  0.401614  0.655958  1
  Cu  Cu153  1  0.030369  0.359836  0.677343  1
  Cu  Cu154  1  0.418713  0.878504  0.667270  1
  Cu  Cu155  1  0.804323  0.901614  0.655958  1
  Cu  Cu156  1  0.030369  0.859836  0.677343  1
  Cu  Cu157  1  0.043167  0.542617  0.713725  1
  Cu  Cu158  1  0.431084  0.560145  0.704007  1
  Cu  Cu159  1  0.818926  0.577578  0.695158  1
  Cu  Cu160  1  0.043167  0.042617  0.713725  1
  Cu  Cu161  1  0.431084  0.060145  0.704007  1
  Cu  Cu162  1  0.818926  0.077578  0.695158  1
  Cu  Cu163  1  0.254302  0.325421  0.697103  1
  Cu  Cu164  1  0.642167  0.343841  0.687113  1
  Cu  Cu165  1  0.865223  0.305990  0.706241  1
  Cu  Cu166  1  0.254302  0.825421  0.697103  1
  Cu  Cu167  1  0.642167  0.843841  0.687113  1
  Cu  Cu168  1  0.865223  0.805990  0.706241  1
