# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04461938
_cell_length_b   9.86487318
_cell_length_c   45.82033137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.60906418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4546.73026306
_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  0.148321  0.306450  0.309979  1
  Cu  Cu2  1  0.535397  0.326226  0.300080  1
  Cu  Cu3  1  0.921795  0.347359  0.290758  1
  Cu  Cu4  1  0.148321  0.806450  0.309979  1
  Cu  Cu5  1  0.535397  0.826226  0.300080  1
  Cu  Cu6  1  0.921795  0.847359  0.290758  1
  Cu  Cu7  1  0.363361  0.092408  0.292964  1
  Cu  Cu8  1  0.750339  0.111668  0.282950  1
  Cu  Cu9  1  0.974182  0.074469  0.301890  1
  Cu  Cu10  1  0.363361  0.592408  0.292964  1
  Cu  Cu11  1  0.750339  0.611668  0.282950  1
  Cu  Cu12  1  0.974182  0.574469  0.301890  1
  Cu  Cu13  1  0.985902  0.252487  0.341730  1
  Cu  Cu14  1  0.371746  0.273902  0.330532  1
  Cu  Cu15  1  0.759499  0.292394  0.320510  1
  Cu  Cu16  1  0.985902  0.752487  0.341730  1
  Cu  Cu17  1  0.371746  0.773902  0.330532  1
  Cu  Cu18  1  0.759499  0.792394  0.320510  1
  Cu  Cu19  1  0.198770  0.037927  0.321824  1
  Cu  Cu20  1  0.587688  0.055235  0.312093  1
  Cu  Cu21  1  0.811976  0.019252  0.333348  1
  Cu  Cu22  1  0.198770  0.537927  0.321824  1
  Cu  Cu23  1  0.587688  0.555235  0.312093  1
  Cu  Cu24  1  0.811976  0.519252  0.333348  1
  Cu  Cu25  1  0.823538  0.196741  0.372885  1
  Cu  Cu26  1  0.211520  0.215000  0.361884  1
  Cu  Cu27  1  0.598236  0.234417  0.351592  1
  Cu  Cu28  1  0.823538  0.696741  0.372885  1
  Cu  Cu29  1  0.211520  0.715000  0.361884  1
  Cu  Cu30  1  0.598236  0.734417  0.351592  1
  Cu  Cu31  1  0.036973  0.979963  0.353295  1
  Cu  Cu32  1  0.424301  1.000242  0.343368  1
  Cu  Cu33  1  0.647981  0.962183  0.364252  1
  Cu  Cu34  1  0.036973  0.479963  0.353295  1
  Cu  Cu35  1  0.424301  0.500242  0.343368  1
  Cu  Cu36  1  0.647981  0.462183  0.364252  1
  Cu  Cu37  1  0.660253  0.140741  0.404046  1
  Cu  Cu38  1  0.048571  0.158598  0.393649  1
  Cu  Cu39  1  0.435596  0.178615  0.383042  1
  Cu  Cu40  1  0.660253  0.640741  0.404046  1
  Cu  Cu41  1  0.048571  0.658598  0.393649  1
  Cu  Cu42  1  0.435596  0.678615  0.383042  1
  Cu  Cu43  1  0.872666  0.924578  0.385132  1
  Cu  Cu44  1  0.259960  0.943703  0.374238  1
  Cu  Cu45  1  0.484395  0.906209  0.395392  1
  Cu  Cu46  1  0.872666  0.424578  0.385132  1
  Cu  Cu47  1  0.259960  0.443703  0.374238  1
  Cu  Cu48  1  0.484395  0.406209  0.395392  1
  Cu  Cu49  1  0.496914  0.084531  0.435354  1
  Cu  Cu50  1  0.884985  0.102884  0.425035  1
  Cu  Cu51  1  0.272673  0.121835  0.414388  1
  Cu  Cu52  1  0.496914  0.584531  0.435354  1
  Cu  Cu53  1  0.884985  0.602884  0.425035  1
  Cu  Cu54  1  0.272673  0.621835  0.414388  1
  Cu  Cu55  1  0.708841  0.868695  0.416354  1
  Cu  Cu56  1  0.096976  0.887072  0.405674  1
  Cu  Cu57  1  0.320952  0.850137  0.426601  1
  Cu  Cu58  1  0.708841  0.368695  0.416354  1
  Cu  Cu59  1  0.096976  0.387072  0.405674  1
  Cu  Cu60  1  0.320952  0.350137  0.426601  1
  Cu  Cu61  1  0.333633  0.028177  0.466702  1
  Cu  Cu62  1  0.721394  0.046920  0.456296  1
  Cu  Cu63  1  0.109419  0.065404  0.445844  1
  Cu  Cu64  1  0.333633  0.528177  0.466702  1
  Cu  Cu65  1  0.721394  0.546920  0.456296  1
  Cu  Cu66  1  0.109419  0.565404  0.445844  1
  Cu  Cu67  1  0.545297  0.812604  0.447570  1
  Cu  Cu68  1  0.933443  0.831003  0.437155  1
  Cu  Cu69  1  0.157681  0.793741  0.457953  1
  Cu  Cu70  1  0.545297  0.312604  0.447570  1
  Cu  Cu71  1  0.933443  0.331003  0.437155  1
  Cu  Cu72  1  0.157681  0.293741  0.457953  1
  Cu  Cu73  1  0.170252  0.971902  0.498055  1
  Cu  Cu74  1  0.557920  0.990753  0.487618  1
  Cu  Cu75  1  0.945872  0.009339  0.477193  1
  Cu  Cu76  1  0.170252  0.471902  0.498055  1
  Cu  Cu77  1  0.557920  0.490753  0.487618  1
  Cu  Cu78  1  0.945872  0.509339  0.477193  1
  Cu  Cu79  1  0.381894  0.756410  0.478864  1
  Cu  Cu80  1  0.769746  0.775063  0.468470  1
  Cu  Cu81  1  0.994188  0.737560  0.489321  1
  Cu  Cu82  1  0.381894  0.256410  0.478864  1
  Cu  Cu83  1  0.769746  0.275063  0.468470  1
  Cu  Cu84  1  0.994188  0.237560  0.489321  1
  Cu  Cu85  1  0.006700  0.915817  0.529354  1
  Cu  Cu86  1  0.394553  0.934469  0.518960  1
  Cu  Cu87  1  0.782259  0.953319  0.508503  1
  Cu  Cu88  1  0.006700  0.415817  0.529354  1
  Cu  Cu89  1  0.394553  0.434469  0.518960  1
  Cu  Cu90  1  0.782259  0.453319  0.508503  1
  Cu  Cu91  1  0.218527  0.700126  0.510206  1
  Cu  Cu92  1  0.606195  0.718977  0.499769  1
  Cu  Cu93  1  0.830575  0.681540  0.520631  1
  Cu  Cu94  1  0.218527  0.200126  0.510206  1
  Cu  Cu95  1  0.606195  0.218977  0.499769  1
  Cu  Cu96  1  0.830575  0.181540  0.520631  1
  Cu  Cu97  1  0.843003  0.859876  0.560670  1
  Cu  Cu98  1  0.231150  0.878275  0.550254  1
  Cu  Cu99  1  0.618766  0.897138  0.539871  1
  Cu  Cu100  1  0.843003  0.359876  0.560670  1
  Cu  Cu101  1  0.231150  0.378275  0.550254  1
  Cu  Cu102  1  0.618766  0.397138  0.539871  1
  Cu  Cu103  1  0.055053  0.643959  0.541528  1
  Cu  Cu104  1  0.442813  0.662702  0.531122  1
  Cu  Cu105  1  0.667028  0.625475  0.551980  1
  Cu  Cu106  1  0.055053  0.143959  0.541528  1
  Cu  Cu107  1  0.442813  0.162702  0.531122  1
  Cu  Cu108  1  0.667028  0.125475  0.551980  1
  Cu  Cu109  1  0.679471  0.803807  0.592150  1
  Cu  Cu110  1  0.067606  0.822184  0.581470  1
  Cu  Cu111  1  0.455495  0.840742  0.571223  1
  Cu  Cu112  1  0.679471  0.303807  0.592150  1
  Cu  Cu113  1  0.067606  0.322184  0.581470  1
  Cu  Cu114  1  0.455495  0.340742  0.571223  1
  Cu  Cu115  1  0.891462  0.587996  0.572789  1
  Cu  Cu116  1  0.279532  0.606348  0.562470  1
  Cu  Cu117  1  0.503774  0.569044  0.583436  1
  Cu  Cu118  1  0.891462  0.087996  0.572789  1
  Cu  Cu119  1  0.279532  0.106348  0.562470  1
  Cu  Cu120  1  0.503774  0.069044  0.583436  1
  Cu  Cu121  1  0.516487  0.747176  0.623586  1
  Cu  Cu122  1  0.903781  0.766302  0.612692  1
  Cu  Cu123  1  0.292051  0.784670  0.602432  1
  Cu  Cu124  1  0.516487  0.247176  0.623586  1
  Cu  Cu125  1  0.903781  0.266302  0.612692  1
  Cu  Cu126  1  0.292051  0.284670  0.602432  1
  Cu  Cu127  1  0.727876  0.532281  0.604175  1
  Cu  Cu128  1  0.116194  0.550138  0.593778  1
  Cu  Cu129  1  0.340851  0.512264  0.614782  1
  Cu  Cu130  1  0.727876  0.032281  0.604175  1
  Cu  Cu131  1  0.116194  0.050138  0.593778  1
  Cu  Cu132  1  0.340851  0.012264  0.614782  1
  Cu  Cu133  1  0.352146  0.690637  0.654456  1
  Cu  Cu134  1  0.739474  0.710916  0.644529  1
  Cu  Cu135  1  0.128466  0.728696  0.633572  1
  Cu  Cu136  1  0.352146  0.190637  0.654456  1
  Cu  Cu137  1  0.739474  0.210916  0.644529  1
  Cu  Cu138  1  0.128466  0.228696  0.633572  1
  Cu  Cu139  1  0.564927  0.475879  0.635940  1
  Cu  Cu140  1  0.952908  0.494138  0.624939  1
  Cu  Cu141  1  0.178210  0.456462  0.646232  1
  Cu  Cu142  1  0.564927  0.975879  0.635940  1
  Cu  Cu143  1  0.952908  0.994138  0.624939  1
  Cu  Cu144  1  0.178210  0.956462  0.646232  1
  Cu  Cu145  1  0.188758  0.635645  0.685731  1
  Cu  Cu146  1  0.577677  0.652952  0.676000  1
  Cu  Cu147  1  0.964470  0.671627  0.664476  1
  Cu  Cu148  1  0.188758  0.135645  0.685731  1
  Cu  Cu149  1  0.577677  0.152952  0.676000  1
  Cu  Cu150  1  0.964470  0.171627  0.664476  1
  Cu  Cu151  1  0.404700  0.416977  0.667292  1
  Cu  Cu152  1  0.790545  0.438393  0.656094  1
  Cu  Cu153  1  0.016947  0.398486  0.677314  1
  Cu  Cu154  1  0.404700  0.916977  0.667292  1
  Cu  Cu155  1  0.790545  0.938393  0.656094  1
  Cu  Cu156  1  0.016947  0.898486  0.677314  1
  Cu  Cu157  1  0.026108  0.579211  0.714874  1
  Cu  Cu158  1  0.413086  0.598471  0.704860  1
  Cu  Cu159  1  0.802265  0.616411  0.695934  1
  Cu  Cu160  1  0.026108  0.079211  0.714874  1
  Cu  Cu161  1  0.413086  0.098471  0.704860  1
  Cu  Cu162  1  0.802265  0.116411  0.695934  1
  Cu  Cu163  1  0.241049  0.364653  0.697744  1
  Cu  Cu164  1  0.628125  0.384429  0.687845  1
  Cu  Cu165  1  0.854651  0.343520  0.707066  1
  Cu  Cu166  1  0.241049  0.864653  0.697744  1
  Cu  Cu167  1  0.628125  0.884429  0.687845  1
  Cu  Cu168  1  0.854651  0.843520  0.707066  1
