# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18851542
_cell_length_b   12.96448013
_cell_length_c   46.25922854
_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   5620.68265539
_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  0.339340  0.323714  0.284167  1
  Cu  Cu2  1  0.839340  0.323714  0.284167  1
  Cu  Cu3  1  0.202840  0.594915  0.316262  1
  Cu  Cu4  1  0.271507  0.959180  0.299801  1
  Cu  Cu5  1  0.702840  0.594915  0.316262  1
  Cu  Cu6  1  0.771507  0.959180  0.299801  1
  Cu  Cu7  1  0.555292  0.142111  0.291754  1
  Cu  Cu8  1  0.055292  0.142111  0.291754  1
  Cu  Cu9  1  0.420367  0.412108  0.325723  1
  Cu  Cu10  1  0.487784  0.777164  0.307830  1
  Cu  Cu11  1  0.920367  0.412108  0.325723  1
  Cu  Cu12  1  0.987784  0.777164  0.307830  1
  Cu  Cu13  1  0.305651  0.141369  0.291753  1
  Cu  Cu14  1  0.805651  0.141369  0.291753  1
  Cu  Cu15  1  0.375436  0.501903  0.277725  1
  Cu  Cu16  1  0.238697  0.775342  0.307504  1
  Cu  Cu17  1  0.875436  0.501903  0.277725  1
  Cu  Cu18  1  0.738697  0.775342  0.307504  1
  Cu  Cu19  1  0.589668  0.323771  0.284164  1
  Cu  Cu20  1  0.089668  0.323771  0.284164  1
  Cu  Cu21  1  0.455044  0.594914  0.316270  1
  Cu  Cu22  1  0.521992  0.959188  0.299801  1
  Cu  Cu23  1  0.955044  0.594914  0.316270  1
  Cu  Cu24  1  0.021992  0.959188  0.299801  1
  Cu  Cu25  1  0.136089  0.231217  0.332992  1
  Cu  Cu26  1  0.636089  0.231217  0.332992  1
  Cu  Cu27  1  0.999472  0.504624  0.366256  1
  Cu  Cu28  1  0.068145  0.867201  0.349022  1
  Cu  Cu29  1  0.499472  0.504624  0.366256  1
  Cu  Cu30  1  0.568145  0.867201  0.349022  1
  Cu  Cu31  1  0.351914  0.049053  0.340990  1
  Cu  Cu32  1  0.851914  0.049053  0.340990  1
  Cu  Cu33  1  0.215172  0.322693  0.374397  1
  Cu  Cu34  1  0.283633  0.685700  0.357411  1
  Cu  Cu35  1  0.715172  0.322693  0.374397  1
  Cu  Cu36  1  0.783633  0.685700  0.357411  1
  Cu  Cu37  1  0.101733  0.049424  0.340998  1
  Cu  Cu38  1  0.601733  0.049424  0.340998  1
  Cu  Cu39  1  0.169037  0.414782  0.324219  1
  Cu  Cu40  1  0.033327  0.686320  0.357645  1
  Cu  Cu41  1  0.669037  0.414782  0.324219  1
  Cu  Cu42  1  0.533327  0.686320  0.357645  1
  Cu  Cu43  1  0.385565  0.231201  0.332995  1
  Cu  Cu44  1  0.885565  0.231201  0.332995  1
  Cu  Cu45  1  0.248903  0.504631  0.366254  1
  Cu  Cu46  1  0.317586  0.867198  0.349023  1
  Cu  Cu47  1  0.748903  0.504631  0.366254  1
  Cu  Cu48  1  0.817586  0.867198  0.349023  1
  Cu  Cu49  1  0.931465  0.139894  0.382839  1
  Cu  Cu50  1  0.431465  0.139894  0.382839  1
  Cu  Cu51  1  0.795119  0.412773  0.416353  1
  Cu  Cu52  1  0.863324  0.776232  0.399337  1
  Cu  Cu53  1  0.295119  0.412773  0.416353  1
  Cu  Cu54  1  0.363324  0.776232  0.399337  1
  Cu  Cu55  1  0.147600  0.957907  0.390969  1
  Cu  Cu56  1  0.647600  0.957907  0.390969  1
  Cu  Cu57  1  0.011383  0.230473  0.424733  1
  Cu  Cu58  1  0.079195  0.594778  0.407941  1
  Cu  Cu59  1  0.511383  0.230473  0.424733  1
  Cu  Cu60  1  0.579195  0.594778  0.407941  1
  Cu  Cu61  1  0.897697  0.957710  0.390947  1
  Cu  Cu62  1  0.397697  0.957710  0.390947  1
  Cu  Cu63  1  0.965642  0.321752  0.374913  1
  Cu  Cu64  1  0.829237  0.594692  0.407877  1
  Cu  Cu65  1  0.465642  0.321752  0.374913  1
  Cu  Cu66  1  0.329237  0.594692  0.407877  1
  Cu  Cu67  1  0.181707  0.139900  0.382838  1
  Cu  Cu68  1  0.681707  0.139900  0.382838  1
  Cu  Cu69  1  0.045312  0.412771  0.416354  1
  Cu  Cu70  1  0.113580  0.776233  0.399337  1
  Cu  Cu71  1  0.545312  0.412771  0.416354  1
  Cu  Cu72  1  0.613580  0.776233  0.399337  1
  Cu  Cu73  1  0.727420  0.048534  0.432875  1
  Cu  Cu74  1  0.227420  0.048534  0.432875  1
  Cu  Cu75  1  0.591140  0.321193  0.466447  1
  Cu  Cu76  1  0.659178  0.685049  0.449642  1
  Cu  Cu77  1  0.091140  0.321193  0.466447  1
  Cu  Cu78  1  0.159178  0.685049  0.449642  1
  Cu  Cu79  1  0.943300  0.866704  0.441182  1
  Cu  Cu80  1  0.443300  0.866704  0.441182  1
  Cu  Cu81  1  0.807098  0.139246  0.474727  1
  Cu  Cu82  1  0.875105  0.503162  0.458068  1
  Cu  Cu83  1  0.307098  0.139246  0.474727  1
  Cu  Cu84  1  0.375105  0.503162  0.458068  1
  Cu  Cu85  1  0.693269  0.866769  0.441198  1
  Cu  Cu86  1  0.193269  0.866769  0.441198  1
  Cu  Cu87  1  0.761240  0.230759  0.424581  1
  Cu  Cu88  1  0.625092  0.503188  0.458093  1
  Cu  Cu89  1  0.261240  0.230759  0.424581  1
  Cu  Cu90  1  0.125092  0.503188  0.458093  1
  Cu  Cu91  1  0.977321  0.048532  0.432875  1
  Cu  Cu92  1  0.477321  0.048532  0.432875  1
  Cu  Cu93  1  0.841076  0.321193  0.466447  1
  Cu  Cu94  1  0.909110  0.685048  0.449642  1
  Cu  Cu95  1  0.341076  0.321193  0.466447  1
  Cu  Cu96  1  0.409110  0.685048  0.449642  1
  Cu  Cu97  1  0.523051  0.957324  0.483040  1
  Cu  Cu98  1  0.023051  0.957324  0.483040  1
  Cu  Cu99  1  0.386860  0.229841  0.516594  1
  Cu  Cu100  1  0.454960  0.593582  0.499817  1
  Cu  Cu101  1  0.886860  0.229841  0.516594  1
  Cu  Cu102  1  0.954960  0.593582  0.499817  1
  Cu  Cu103  1  0.739009  0.775488  0.491412  1
  Cu  Cu104  1  0.239009  0.775488  0.491412  1
  Cu  Cu105  1  0.602829  0.047983  0.524874  1
  Cu  Cu106  1  0.670940  0.411697  0.508234  1
  Cu  Cu107  1  0.102829  0.047983  0.524874  1
  Cu  Cu108  1  0.170940  0.411697  0.508234  1
  Cu  Cu109  1  0.489019  0.775468  0.491399  1
  Cu  Cu110  1  0.989019  0.775468  0.491399  1
  Cu  Cu111  1  0.557130  0.139182  0.474759  1
  Cu  Cu112  1  0.420950  0.411677  0.508222  1
  Cu  Cu113  1  0.057130  0.139182  0.474759  1
  Cu  Cu114  1  0.920950  0.411677  0.508222  1
  Cu  Cu115  1  0.773099  0.957324  0.483040  1
  Cu  Cu116  1  0.273099  0.957324  0.483040  1
  Cu  Cu117  1  0.636909  0.229841  0.516594  1
  Cu  Cu118  1  0.704999  0.593583  0.499817  1
  Cu  Cu119  1  0.136909  0.229841  0.516594  1
  Cu  Cu120  1  0.204999  0.593583  0.499817  1
  Cu  Cu121  1  0.318883  0.865972  0.533186  1
  Cu  Cu122  1  0.818883  0.865972  0.533186  1
  Cu  Cu123  1  0.182638  0.138632  0.566758  1
  Cu  Cu124  1  0.250850  0.502117  0.549992  1
  Cu  Cu125  1  0.682638  0.138632  0.566758  1
  Cu  Cu126  1  0.750850  0.502117  0.549992  1
  Cu  Cu127  1  0.534867  0.683976  0.541541  1
  Cu  Cu128  1  0.034867  0.683976  0.541541  1
  Cu  Cu129  1  0.398719  0.956406  0.575053  1
  Cu  Cu130  1  0.466691  0.320396  0.558435  1
  Cu  Cu131  1  0.898719  0.956406  0.575053  1
  Cu  Cu132  1  0.966691  0.320396  0.558435  1
  Cu  Cu133  1  0.284854  0.684003  0.541565  1
  Cu  Cu134  1  0.784854  0.684003  0.541565  1
  Cu  Cu135  1  0.352861  0.047919  0.524907  1
  Cu  Cu136  1  0.216659  0.320461  0.558451  1
  Cu  Cu137  1  0.852861  0.047919  0.524907  1
  Cu  Cu138  1  0.716659  0.320461  0.558451  1
  Cu  Cu139  1  0.568820  0.865972  0.533186  1
  Cu  Cu140  1  0.068820  0.865972  0.533186  1
  Cu  Cu141  1  0.432539  0.138631  0.566759  1
  Cu  Cu142  1  0.500781  0.502116  0.549992  1
  Cu  Cu143  1  0.932539  0.138631  0.566759  1
  Cu  Cu144  1  0.000781  0.502116  0.549992  1
  Cu  Cu145  1  0.114647  0.774394  0.583279  1
  Cu  Cu146  1  0.614647  0.774394  0.583279  1
  Cu  Cu147  1  0.978252  0.047265  0.616796  1
  Cu  Cu148  1  0.046380  0.410932  0.600296  1
  Cu  Cu149  1  0.478252  0.047265  0.616796  1
  Cu  Cu150  1  0.546380  0.410932  0.600296  1
  Cu  Cu151  1  0.330722  0.592473  0.591757  1
  Cu  Cu152  1  0.830722  0.592473  0.591757  1
  Cu  Cu153  1  0.194318  0.865413  0.624720  1
  Cu  Cu154  1  0.262262  0.229455  0.608686  1
  Cu  Cu155  1  0.694318  0.865413  0.624720  1
  Cu  Cu156  1  0.762262  0.229455  0.608686  1
  Cu  Cu157  1  0.080764  0.592387  0.591693  1
  Cu  Cu158  1  0.580764  0.592387  0.591693  1
  Cu  Cu159  1  0.148576  0.956692  0.574900  1
  Cu  Cu160  1  0.012359  0.229258  0.608664  1
  Cu  Cu161  1  0.648576  0.956692  0.574900  1
  Cu  Cu162  1  0.512359  0.229258  0.608664  1
  Cu  Cu163  1  0.364840  0.774392  0.583280  1
  Cu  Cu164  1  0.864840  0.774392  0.583280  1
  Cu  Cu165  1  0.228494  0.047271  0.616794  1
  Cu  Cu166  1  0.296635  0.410933  0.600296  1
  Cu  Cu167  1  0.728494  0.047271  0.616794  1
  Cu  Cu168  1  0.796635  0.410933  0.600296  1
  Cu  Cu169  1  0.911056  0.682534  0.633380  1
  Cu  Cu170  1  0.411056  0.682534  0.633380  1
  Cu  Cu171  1  0.774394  0.955964  0.666638  1
  Cu  Cu172  1  0.842373  0.319966  0.650611  1
  Cu  Cu173  1  0.274394  0.955964  0.666638  1
  Cu  Cu174  1  0.342373  0.319966  0.650611  1
  Cu  Cu175  1  0.126633  0.500845  0.641989  1
  Cu  Cu176  1  0.626633  0.500845  0.641989  1
  Cu  Cu177  1  0.990923  0.772383  0.675414  1
  Cu  Cu178  1  0.058227  0.137741  0.658636  1
  Cu  Cu179  1  0.490923  0.772383  0.675414  1
  Cu  Cu180  1  0.558227  0.137741  0.658636  1
  Cu  Cu181  1  0.876327  0.501465  0.642223  1
  Cu  Cu182  1  0.376327  0.501465  0.642223  1
  Cu  Cu183  1  0.944787  0.864471  0.625236  1
  Cu  Cu184  1  0.808045  0.138112  0.658643  1
  Cu  Cu185  1  0.444787  0.864471  0.625236  1
  Cu  Cu186  1  0.308045  0.138112  0.658643  1
  Cu  Cu187  1  0.160488  0.682540  0.633377  1
  Cu  Cu188  1  0.660488  0.682540  0.633377  1
  Cu  Cu189  1  0.023871  0.955948  0.666641  1
  Cu  Cu190  1  0.091814  0.319964  0.650612  1
  Cu  Cu191  1  0.523871  0.955948  0.666641  1
  Cu  Cu192  1  0.591814  0.319964  0.650612  1
  Cu  Cu193  1  0.704916  0.592251  0.683364  1
  Cu  Cu194  1  0.204916  0.592251  0.683364  1
  Cu  Cu195  1  0.570292  0.863394  0.715470  1
  Cu  Cu196  1  0.637967  0.227977  0.699833  1
  Cu  Cu197  1  0.070292  0.863394  0.715470  1
  Cu  Cu198  1  0.137967  0.227977  0.699833  1
  Cu  Cu199  1  0.921263  0.411823  0.692129  1
  Cu  Cu200  1  0.421263  0.411823  0.692129  1
  Cu  Cu201  1  0.784524  0.685262  0.721909  1
  Cu  Cu202  1  0.854309  0.045796  0.707880  1
  Cu  Cu203  1  0.284524  0.685262  0.721909  1
  Cu  Cu204  1  0.354309  0.045796  0.707880  1
  Cu  Cu205  1  0.672175  0.410001  0.691804  1
  Cu  Cu206  1  0.172175  0.410001  0.691804  1
  Cu  Cu207  1  0.739592  0.775057  0.673911  1
  Cu  Cu208  1  0.604667  0.045054  0.707879  1
  Cu  Cu209  1  0.239592  0.775057  0.673911  1
  Cu  Cu210  1  0.104667  0.045054  0.707879  1
  Cu  Cu211  1  0.957119  0.592249  0.683372  1
  Cu  Cu212  1  0.457119  0.592249  0.683372  1
  Cu  Cu213  1  0.820620  0.863451  0.715467  1
  Cu  Cu214  1  0.888452  0.227985  0.699832  1
  Cu  Cu215  1  0.320620  0.863451  0.715467  1
  Cu  Cu216  1  0.388452  0.227985  0.699832  1
