# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05686210
_cell_length_b   9.70836248
_cell_length_c   45.98643654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.15383454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4479.45499203
_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  0.239296  0.067797  0.294718  1
  Cu  Cu2  1  0.628915  0.088451  0.285529  1
  Cu  Cu3  1  0.854063  0.046947  0.303952  1
  Cu  Cu4  1  0.239296  0.567797  0.294718  1
  Cu  Cu5  1  0.628915  0.588451  0.285529  1
  Cu  Cu6  1  0.854063  0.546947  0.303952  1
  Cu  Cu7  1  0.294000  0.293549  0.305513  1
  Cu  Cu8  1  0.677191  0.315391  0.295959  1
  Cu  Cu9  1  0.067084  0.334737  0.287028  1
  Cu  Cu10  1  0.294000  0.793549  0.305513  1
  Cu  Cu11  1  0.677191  0.815391  0.295959  1
  Cu  Cu12  1  0.067084  0.834737  0.287028  1
  Cu  Cu13  1  0.078635  0.010685  0.324814  1
  Cu  Cu14  1  0.464841  0.025967  0.314208  1
  Cu  Cu15  1  0.691746  0.988059  0.335599  1
  Cu  Cu16  1  0.078635  0.510685  0.324814  1
  Cu  Cu17  1  0.464841  0.525967  0.314208  1
  Cu  Cu18  1  0.691746  0.488059  0.335599  1
  Cu  Cu19  1  0.129223  0.236879  0.337266  1
  Cu  Cu20  1  0.515008  0.255818  0.326692  1
  Cu  Cu21  1  0.903300  0.274301  0.315322  1
  Cu  Cu22  1  0.129223  0.736879  0.337266  1
  Cu  Cu23  1  0.515008  0.755818  0.326692  1
  Cu  Cu24  1  0.903300  0.774301  0.315322  1
  Cu  Cu25  1  0.916810  0.948994  0.355567  1
  Cu  Cu26  1  0.303196  0.968929  0.345867  1
  Cu  Cu27  1  0.528984  0.929882  0.366308  1
  Cu  Cu28  1  0.916810  0.448994  0.355567  1
  Cu  Cu29  1  0.303196  0.468929  0.345867  1
  Cu  Cu30  1  0.528984  0.429882  0.366308  1
  Cu  Cu31  1  0.965121  0.177379  0.367767  1
  Cu  Cu32  1  0.353362  0.195772  0.357476  1
  Cu  Cu33  1  0.740904  0.215292  0.346961  1
  Cu  Cu34  1  0.965121  0.677379  0.367767  1
  Cu  Cu35  1  0.353362  0.695772  0.357476  1
  Cu  Cu36  1  0.740904  0.715292  0.346961  1
  Cu  Cu37  1  0.754114  0.890159  0.387279  1
  Cu  Cu38  1  0.141062  0.911025  0.376881  1
  Cu  Cu39  1  0.366482  0.870697  0.397741  1
  Cu  Cu40  1  0.754114  0.390159  0.387279  1
  Cu  Cu41  1  0.141062  0.411025  0.376881  1
  Cu  Cu42  1  0.366482  0.370697  0.397741  1
  Cu  Cu43  1  0.803327  0.117513  0.399174  1
  Cu  Cu44  1  0.190479  0.137841  0.389037  1
  Cu  Cu45  1  0.578008  0.157318  0.378487  1
  Cu  Cu46  1  0.803327  0.617513  0.399174  1
  Cu  Cu47  1  0.190479  0.637841  0.389037  1
  Cu  Cu48  1  0.578008  0.657318  0.378487  1
  Cu  Cu49  1  0.591537  0.831595  0.418592  1
  Cu  Cu50  1  0.978799  0.851420  0.408048  1
  Cu  Cu51  1  0.203799  0.812279  0.429079  1
  Cu  Cu52  1  0.591537  0.331595  0.418592  1
  Cu  Cu53  1  0.978799  0.351420  0.408048  1
  Cu  Cu54  1  0.203799  0.312279  0.429079  1
  Cu  Cu55  1  0.640717  0.058958  0.430662  1
  Cu  Cu56  1  0.027851  0.078921  0.420198  1
  Cu  Cu57  1  0.415637  0.098087  0.409776  1
  Cu  Cu58  1  0.640717  0.558958  0.430662  1
  Cu  Cu59  1  0.027851  0.578921  0.420198  1
  Cu  Cu60  1  0.415637  0.598087  0.409776  1
  Cu  Cu61  1  0.428963  0.772740  0.449947  1
  Cu  Cu62  1  0.816400  0.792314  0.439480  1
  Cu  Cu63  1  0.041330  0.753286  0.460366  1
  Cu  Cu64  1  0.428963  0.272740  0.449947  1
  Cu  Cu65  1  0.816400  0.292314  0.439480  1
  Cu  Cu66  1  0.041330  0.253286  0.460366  1
  Cu  Cu67  1  0.478171  1.000078  0.462017  1
  Cu  Cu68  1  0.865616  0.019709  0.451527  1
  Cu  Cu69  1  0.253097  0.039401  0.441158  1
  Cu  Cu70  1  0.478171  0.500078  0.462017  1
  Cu  Cu71  1  0.865616  0.519709  0.451527  1
  Cu  Cu72  1  0.253097  0.539401  0.441158  1
  Cu  Cu73  1  0.266375  0.713993  0.481293  1
  Cu  Cu74  1  0.653951  0.733492  0.470842  1
  Cu  Cu75  1  0.878913  0.694296  0.491738  1
  Cu  Cu76  1  0.266375  0.213993  0.481293  1
  Cu  Cu77  1  0.653951  0.233492  0.470842  1
  Cu  Cu78  1  0.878913  0.194296  0.491738  1
  Cu  Cu79  1  0.315620  0.941276  0.493369  1
  Cu  Cu80  1  0.703180  0.960819  0.482915  1
  Cu  Cu81  1  0.090533  0.980620  0.472467  1
  Cu  Cu82  1  0.315620  0.441276  0.493369  1
  Cu  Cu83  1  0.703180  0.460819  0.482915  1
  Cu  Cu84  1  0.090533  0.480620  0.472467  1
  Cu  Cu85  1  0.103862  0.655130  0.512634  1
  Cu  Cu86  1  0.491423  0.674674  0.502180  1
  Cu  Cu87  1  0.716509  0.635329  0.523082  1
  Cu  Cu88  1  0.103862  0.155130  0.512634  1
  Cu  Cu89  1  0.491423  0.174674  0.502180  1
  Cu  Cu90  1  0.716509  0.135329  0.523082  1
  Cu  Cu91  1  0.153091  0.882457  0.524707  1
  Cu  Cu92  1  0.540667  0.901956  0.514256  1
  Cu  Cu93  1  0.928130  0.921653  0.503811  1
  Cu  Cu94  1  0.153091  0.382457  0.524707  1
  Cu  Cu95  1  0.540667  0.401956  0.514256  1
  Cu  Cu96  1  0.928130  0.421653  0.503811  1
  Cu  Cu97  1  0.941426  0.596240  0.544022  1
  Cu  Cu98  1  0.328871  0.615871  0.533531  1
  Cu  Cu99  1  0.553945  0.576548  0.554391  1
  Cu  Cu100  1  0.941426  0.096240  0.544022  1
  Cu  Cu101  1  0.328871  0.115871  0.533531  1
  Cu  Cu102  1  0.553945  0.076548  0.554391  1
  Cu  Cu103  1  0.990642  0.823636  0.556069  1
  Cu  Cu104  1  0.378079  0.843209  0.545602  1
  Cu  Cu105  1  0.765712  0.862663  0.535183  1
  Cu  Cu106  1  0.990642  0.323636  0.556069  1
  Cu  Cu107  1  0.378079  0.343209  0.545602  1
  Cu  Cu108  1  0.765712  0.362663  0.535183  1
  Cu  Cu109  1  0.779191  0.537029  0.575350  1
  Cu  Cu110  1  0.166325  0.556992  0.564887  1
  Cu  Cu111  1  0.391405  0.517862  0.585773  1
  Cu  Cu112  1  0.779191  0.037029  0.575350  1
  Cu  Cu113  1  0.166325  0.056992  0.564887  1
  Cu  Cu114  1  0.391405  0.017862  0.585773  1
  Cu  Cu115  1  0.828243  0.764529  0.587501  1
  Cu  Cu116  1  0.215505  0.784354  0.576957  1
  Cu  Cu117  1  0.603244  0.803670  0.566470  1
  Cu  Cu118  1  0.828243  0.264529  0.587501  1
  Cu  Cu119  1  0.215505  0.284354  0.576957  1
  Cu  Cu120  1  0.603244  0.303670  0.566470  1
  Cu  Cu121  1  0.616563  0.478109  0.606512  1
  Cu  Cu122  1  0.003716  0.498436  0.596375  1
  Cu  Cu123  1  0.229035  0.458631  0.617062  1
  Cu  Cu124  1  0.616563  0.978109  0.606512  1
  Cu  Cu125  1  0.003716  0.998436  0.596375  1
  Cu  Cu126  1  0.229035  0.958631  0.617062  1
  Cu  Cu127  1  0.665981  0.704924  0.618668  1
  Cu  Cu128  1  0.052928  0.725791  0.608270  1
  Cu  Cu129  1  0.440561  0.745252  0.597808  1
  Cu  Cu130  1  0.665981  0.204924  0.618668  1
  Cu  Cu131  1  0.052928  0.225791  0.608270  1
  Cu  Cu132  1  0.440561  0.245252  0.597808  1
  Cu  Cu133  1  0.453680  0.420177  0.638073  1
  Cu  Cu134  1  0.841922  0.438571  0.627782  1
  Cu  Cu135  1  0.066138  0.400657  0.648588  1
  Cu  Cu136  1  0.453680  0.920177  0.638073  1
  Cu  Cu137  1  0.841922  0.938571  0.627782  1
  Cu  Cu138  1  0.066138  0.900657  0.648588  1
  Cu  Cu139  1  0.503846  0.647020  0.649681  1
  Cu  Cu140  1  0.890233  0.666955  0.639981  1
  Cu  Cu141  1  0.278058  0.686067  0.629241  1
  Cu  Cu142  1  0.503846  0.147020  0.649681  1
  Cu  Cu143  1  0.890233  0.166955  0.639981  1
  Cu  Cu144  1  0.278058  0.186067  0.629241  1
  Cu  Cu145  1  0.292034  0.360131  0.668857  1
  Cu  Cu146  1  0.677819  0.379071  0.658283  1
  Cu  Cu147  1  0.903743  0.341648  0.680227  1
  Cu  Cu148  1  0.292034  0.860131  0.668857  1
  Cu  Cu149  1  0.677819  0.879071  0.658283  1
  Cu  Cu150  1  0.903743  0.841648  0.680227  1
  Cu  Cu151  1  0.342201  0.589982  0.681341  1
  Cu  Cu152  1  0.728407  0.605264  0.670735  1
  Cu  Cu153  1  0.115296  0.627891  0.659950  1
  Cu  Cu154  1  0.342201  0.089982  0.681341  1
  Cu  Cu155  1  0.728407  0.105264  0.670735  1
  Cu  Cu156  1  0.115296  0.127891  0.659950  1
  Cu  Cu157  1  0.129851  0.300558  0.699590  1
  Cu  Cu158  1  0.513042  0.322400  0.690036  1
  Cu  Cu159  1  0.739958  0.281212  0.708521  1
  Cu  Cu160  1  0.129851  0.800558  0.699590  1
  Cu  Cu161  1  0.513042  0.822400  0.690036  1
  Cu  Cu162  1  0.739958  0.781212  0.708521  1
  Cu  Cu163  1  0.178127  0.527498  0.710020  1
  Cu  Cu164  1  0.567746  0.548152  0.700831  1
  Cu  Cu165  1  0.952979  0.569002  0.691597  1
  Cu  Cu166  1  0.178127  0.027498  0.710020  1
  Cu  Cu167  1  0.567746  0.048152  0.700831  1
  Cu  Cu168  1  0.952979  0.069002  0.691597  1
