# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77008017
_cell_length_b   13.68433065
_cell_length_c   47.54351047
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.75310697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu204
_cell_volume   5402.91715871
_cell_formula_units_Z   204
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  0.639483  0.699073  0.297032  1
  Cu  Cu2  1  0.139483  0.699073  0.297032  1
  Cu  Cu3  1  0.059722  0.036228  0.289019  1
  Cu  Cu4  1  0.485058  0.379140  0.281333  1
  Cu  Cu5  1  0.559722  0.036228  0.289019  1
  Cu  Cu6  1  0.985058  0.379140  0.281333  1
  Cu  Cu7  1  0.732288  0.536275  0.289016  1
  Cu  Cu8  1  0.232288  0.536275  0.289016  1
  Cu  Cu9  1  0.149682  0.879082  0.281345  1
  Cu  Cu10  1  0.315265  0.199080  0.297042  1
  Cu  Cu11  1  0.649682  0.879082  0.281345  1
  Cu  Cu12  1  0.815265  0.199080  0.297042  1
  Cu  Cu13  1  0.381355  0.680412  0.322468  1
  Cu  Cu14  1  0.881355  0.680412  0.322468  1
  Cu  Cu15  1  0.800895  0.019804  0.314353  1
  Cu  Cu16  1  0.222469  0.358193  0.305744  1
  Cu  Cu17  1  0.300895  0.019804  0.314353  1
  Cu  Cu18  1  0.722469  0.358193  0.305744  1
  Cu  Cu19  1  0.474605  0.519807  0.314351  1
  Cu  Cu20  1  0.974605  0.519807  0.314351  1
  Cu  Cu21  1  0.891331  0.858199  0.305764  1
  Cu  Cu22  1  0.054694  0.180388  0.322478  1
  Cu  Cu23  1  0.391331  0.858199  0.305764  1
  Cu  Cu24  1  0.554694  0.180388  0.322478  1
  Cu  Cu25  1  0.123470  0.660704  0.349087  1
  Cu  Cu26  1  0.623470  0.660704  0.349087  1
  Cu  Cu27  1  0.542812  1.000254  0.340484  1
  Cu  Cu28  1  0.963138  0.340286  0.332281  1
  Cu  Cu29  1  0.042812  1.000254  0.340484  1
  Cu  Cu30  1  0.463138  0.340286  0.332281  1
  Cu  Cu31  1  0.213101  0.500246  0.340479  1
  Cu  Cu32  1  0.713101  0.500246  0.340479  1
  Cu  Cu33  1  0.632759  0.840272  0.332294  1
  Cu  Cu34  1  0.792869  0.160695  0.349094  1
  Cu  Cu35  1  0.132759  0.840272  0.332294  1
  Cu  Cu36  1  0.292869  0.160695  0.349094  1
  Cu  Cu37  1  0.864452  0.641643  0.375530  1
  Cu  Cu38  1  0.364452  0.641643  0.375530  1
  Cu  Cu39  1  0.284223  0.981407  0.367070  1
  Cu  Cu40  1  0.703996  0.320555  0.358311  1
  Cu  Cu41  1  0.784223  0.981407  0.367070  1
  Cu  Cu42  1  0.203996  0.320555  0.358311  1
  Cu  Cu43  1  0.952819  0.481404  0.367068  1
  Cu  Cu44  1  0.452819  0.481404  0.367068  1
  Cu  Cu45  1  0.372169  0.820543  0.358323  1
  Cu  Cu46  1  0.532804  0.141639  0.375537  1
  Cu  Cu47  1  0.872169  0.820543  0.358323  1
  Cu  Cu48  1  0.032804  0.141639  0.375537  1
  Cu  Cu49  1  0.605177  0.622634  0.402023  1
  Cu  Cu50  1  0.105177  0.622634  0.402023  1
  Cu  Cu51  1  0.024793  0.962214  0.393324  1
  Cu  Cu52  1  0.444614  0.301746  0.384709  1
  Cu  Cu53  1  0.524793  0.962214  0.393324  1
  Cu  Cu54  1  0.944614  0.301746  0.384709  1
  Cu  Cu55  1  0.693031  0.462212  0.393322  1
  Cu  Cu56  1  0.193031  0.462212  0.393322  1
  Cu  Cu57  1  0.112731  0.801737  0.384720  1
  Cu  Cu58  1  0.273047  0.122630  0.402029  1
  Cu  Cu59  1  0.612731  0.801737  0.384720  1
  Cu  Cu60  1  0.773047  0.122630  0.402029  1
  Cu  Cu61  1  0.345659  0.603543  0.428399  1
  Cu  Cu62  1  0.845659  0.603543  0.428399  1
  Cu  Cu63  1  0.765359  0.943204  0.419730  1
  Cu  Cu64  1  0.185099  0.282775  0.410983  1
  Cu  Cu65  1  0.265359  0.943204  0.419730  1
  Cu  Cu66  1  0.685099  0.282775  0.410983  1
  Cu  Cu67  1  0.433428  0.443202  0.419729  1
  Cu  Cu68  1  0.933428  0.443202  0.419729  1
  Cu  Cu69  1  0.853253  0.782766  0.410992  1
  Cu  Cu70  1  0.013453  0.103540  0.428405  1
  Cu  Cu71  1  0.353253  0.782766  0.410992  1
  Cu  Cu72  1  0.513453  0.103540  0.428405  1
  Cu  Cu73  1  0.086122  0.584512  0.454804  1
  Cu  Cu74  1  0.586122  0.584512  0.454804  1
  Cu  Cu75  1  0.505865  0.924162  0.446066  1
  Cu  Cu76  1  0.925624  0.263777  0.437341  1
  Cu  Cu77  1  0.005865  0.924162  0.446066  1
  Cu  Cu78  1  0.425624  0.263777  0.437341  1
  Cu  Cu79  1  0.173854  0.424161  0.446066  1
  Cu  Cu80  1  0.673854  0.424161  0.446066  1
  Cu  Cu81  1  0.593709  0.763770  0.437349  1
  Cu  Cu82  1  0.753935  0.084507  0.454810  1
  Cu  Cu83  1  0.093709  0.763770  0.437349  1
  Cu  Cu84  1  0.253935  0.084507  0.454810  1
  Cu  Cu85  1  0.826557  0.565473  0.481173  1
  Cu  Cu86  1  0.326557  0.565473  0.481173  1
  Cu  Cu87  1  0.246357  0.905126  0.472436  1
  Cu  Cu88  1  0.666130  0.244758  0.463677  1
  Cu  Cu89  1  0.746357  0.905126  0.472436  1
  Cu  Cu90  1  0.166130  0.244758  0.463677  1
  Cu  Cu91  1  0.914300  0.405125  0.472436  1
  Cu  Cu92  1  0.414300  0.405125  0.472436  1
  Cu  Cu93  1  0.334161  0.744752  0.463684  1
  Cu  Cu94  1  0.494438  0.065469  0.481179  1
  Cu  Cu95  1  0.834161  0.744752  0.463684  1
  Cu  Cu96  1  0.994438  0.065469  0.481179  1
  Cu  Cu97  1  0.566994  0.546445  0.507540  1
  Cu  Cu98  1  0.066994  0.546445  0.507540  1
  Cu  Cu99  1  0.986830  0.886090  0.498793  1
  Cu  Cu100  1  0.406647  0.225738  0.490039  1
  Cu  Cu101  1  0.486830  0.886090  0.498793  1
  Cu  Cu102  1  0.906647  0.225738  0.490039  1
  Cu  Cu103  1  0.654766  0.386088  0.498793  1
  Cu  Cu104  1  0.154766  0.386088  0.498793  1
  Cu  Cu105  1  0.074601  0.725733  0.490046  1
  Cu  Cu106  1  0.234948  0.046440  0.507547  1
  Cu  Cu107  1  0.574601  0.725733  0.490046  1
  Cu  Cu108  1  0.734948  0.046440  0.507547  1
  Cu  Cu109  1  0.307434  0.527426  0.533902  1
  Cu  Cu110  1  0.807434  0.527426  0.533902  1
  Cu  Cu111  1  0.727295  0.867054  0.525150  1
  Cu  Cu112  1  0.147157  0.206710  0.516406  1
  Cu  Cu113  1  0.227295  0.867054  0.525150  1
  Cu  Cu114  1  0.647157  0.206710  0.516406  1
  Cu  Cu115  1  0.395238  0.367052  0.525150  1
  Cu  Cu116  1  0.895238  0.367052  0.525150  1
  Cu  Cu117  1  0.815039  0.706705  0.516413  1
  Cu  Cu118  1  0.975465  0.027420  0.533909  1
  Cu  Cu119  1  0.315039  0.706705  0.516413  1
  Cu  Cu120  1  0.475465  0.027420  0.533909  1
  Cu  Cu121  1  0.047886  0.508408  0.560237  1
  Cu  Cu122  1  0.547886  0.508408  0.560237  1
  Cu  Cu123  1  0.467742  0.848018  0.551520  1
  Cu  Cu124  1  0.887660  0.187671  0.542776  1
  Cu  Cu125  1  0.967742  0.848018  0.551520  1
  Cu  Cu126  1  0.387660  0.187671  0.542776  1
  Cu  Cu127  1  0.135730  0.348016  0.551520  1
  Cu  Cu128  1  0.635730  0.348016  0.551520  1
  Cu  Cu129  1  0.555474  0.687667  0.542782  1
  Cu  Cu130  1  0.715971  0.008401  0.560245  1
  Cu  Cu131  1  0.055474  0.687667  0.542782  1
  Cu  Cu132  1  0.215971  0.008401  0.560245  1
  Cu  Cu133  1  0.788342  0.489412  0.586594  1
  Cu  Cu134  1  0.288342  0.489412  0.586594  1
  Cu  Cu135  1  0.208167  0.828976  0.577857  1
  Cu  Cu136  1  0.628142  0.168638  0.569181  1
  Cu  Cu137  1  0.708167  0.828976  0.577857  1
  Cu  Cu138  1  0.128142  0.168638  0.569181  1
  Cu  Cu139  1  0.876236  0.328975  0.577856  1
  Cu  Cu140  1  0.376236  0.328975  0.577856  1
  Cu  Cu141  1  0.295937  0.668635  0.569187  1
  Cu  Cu142  1  0.456497  0.989404  0.586603  1
  Cu  Cu143  1  0.795937  0.668635  0.569187  1
  Cu  Cu144  1  0.956497  0.989404  0.586603  1
  Cu  Cu145  1  0.528865  0.470441  0.612866  1
  Cu  Cu146  1  0.028865  0.470441  0.612866  1
  Cu  Cu147  1  0.948564  0.809966  0.604264  1
  Cu  Cu148  1  0.368548  0.149548  0.595557  1
  Cu  Cu149  1  0.448564  0.809966  0.604264  1
  Cu  Cu150  1  0.868548  0.149548  0.595557  1
  Cu  Cu151  1  0.616802  0.309964  0.604262  1
  Cu  Cu152  1  0.116802  0.309964  0.604262  1
  Cu  Cu153  1  0.036418  0.649545  0.595563  1
  Cu  Cu154  1  0.196981  0.970432  0.612877  1
  Cu  Cu155  1  0.536418  0.649545  0.595563  1
  Cu  Cu156  1  0.696981  0.970432  0.612877  1
  Cu  Cu157  1  0.269426  0.451635  0.639263  1
  Cu  Cu158  1  0.769426  0.451635  0.639263  1
  Cu  Cu159  1  0.688776  0.790775  0.630518  1
  Cu  Cu160  1  0.108791  0.130539  0.622049  1
  Cu  Cu161  1  0.188776  0.790775  0.630518  1
  Cu  Cu162  1  0.608791  0.130539  0.622049  1
  Cu  Cu163  1  0.357372  0.290771  0.630516  1
  Cu  Cu164  1  0.857372  0.290771  0.630516  1
  Cu  Cu165  1  0.777143  0.630535  0.622056  1
  Cu  Cu166  1  0.937599  0.951623  0.639275  1
  Cu  Cu167  1  0.277143  0.630535  0.622056  1
  Cu  Cu168  1  0.437599  0.951623  0.639275  1
  Cu  Cu169  1  0.008836  0.431906  0.665292  1
  Cu  Cu170  1  0.508836  0.431906  0.665292  1
  Cu  Cu171  1  0.428494  0.771932  0.657107  1
  Cu  Cu172  1  0.848726  0.111484  0.648492  1
  Cu  Cu173  1  0.928494  0.771932  0.657107  1
  Cu  Cu174  1  0.348726  0.111484  0.648492  1
  Cu  Cu175  1  0.098783  0.271924  0.657102  1
  Cu  Cu176  1  0.598783  0.271924  0.657102  1
  Cu  Cu177  1  0.518125  0.611474  0.648499  1
  Cu  Cu178  1  0.678457  0.931892  0.665305  1
  Cu  Cu179  1  0.018125  0.611474  0.648499  1
  Cu  Cu180  1  0.178457  0.931892  0.665305  1
  Cu  Cu181  1  0.750265  0.413979  0.691822  1
  Cu  Cu182  1  0.250265  0.413979  0.691822  1
  Cu  Cu183  1  0.166990  0.752371  0.683235  1
  Cu  Cu184  1  0.586901  0.091790  0.675108  1
  Cu  Cu185  1  0.666990  0.752371  0.683235  1
  Cu  Cu186  1  0.086901  0.091790  0.675108  1
  Cu  Cu187  1  0.840700  0.252374  0.683233  1
  Cu  Cu188  1  0.340700  0.252374  0.683233  1
  Cu  Cu189  1  0.260240  0.591767  0.675118  1
  Cu  Cu190  1  0.419126  0.913986  0.691842  1
  Cu  Cu191  1  0.760240  0.591767  0.675118  1
  Cu  Cu192  1  0.919126  0.913986  0.691842  1
  Cu  Cu193  1  0.491913  0.393096  0.716241  1
  Cu  Cu194  1  0.991913  0.393096  0.716241  1
  Cu  Cu195  1  0.909307  0.735903  0.708570  1
  Cu  Cu196  1  0.326330  0.073099  0.700544  1
  Cu  Cu197  1  0.409307  0.735903  0.708570  1
  Cu  Cu198  1  0.826330  0.073099  0.700544  1
  Cu  Cu199  1  0.581873  0.235951  0.708567  1
  Cu  Cu200  1  0.081873  0.235951  0.708567  1
  Cu  Cu201  1  1.002112  0.573105  0.700554  1
  Cu  Cu202  1  0.156537  0.893038  0.716253  1
  Cu  Cu203  1  0.502112  0.573105  0.700554  1
  Cu  Cu204  1  0.656537  0.893038  0.716253  1
