# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05360606
_cell_length_b   9.71023599
_cell_length_c   45.98934291
_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   4479.28313859
_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  0.239357  0.067843  0.294683  1
  Cu  Cu2  1  0.628978  0.088494  0.285496  1
  Cu  Cu3  1  0.854165  0.046974  0.303920  1
  Cu  Cu4  1  0.239357  0.567843  0.294683  1
  Cu  Cu5  1  0.628978  0.588494  0.285496  1
  Cu  Cu6  1  0.854165  0.546974  0.303920  1
  Cu  Cu7  1  0.294164  0.293572  0.305473  1
  Cu  Cu8  1  0.677304  0.315425  0.295919  1
  Cu  Cu9  1  0.067218  0.334814  0.286988  1
  Cu  Cu10  1  0.294164  0.793572  0.305473  1
  Cu  Cu11  1  0.677304  0.815425  0.295919  1
  Cu  Cu12  1  0.067218  0.834814  0.286988  1
  Cu  Cu13  1  0.078743  0.010682  0.324786  1
  Cu  Cu14  1  0.464931  0.025978  0.314179  1
  Cu  Cu15  1  0.691852  0.988054  0.335564  1
  Cu  Cu16  1  0.078743  0.510682  0.324786  1
  Cu  Cu17  1  0.464931  0.525978  0.314179  1
  Cu  Cu18  1  0.691852  0.488054  0.335564  1
  Cu  Cu19  1  0.129371  0.236893  0.337226  1
  Cu  Cu20  1  0.515160  0.255831  0.326661  1
  Cu  Cu21  1  0.903453  0.274314  0.315283  1
  Cu  Cu22  1  0.129371  0.736893  0.337226  1
  Cu  Cu23  1  0.515160  0.755831  0.326661  1
  Cu  Cu24  1  0.903453  0.774314  0.315283  1
  Cu  Cu25  1  0.916920  0.948980  0.355536  1
  Cu  Cu26  1  0.303302  0.968925  0.345835  1
  Cu  Cu27  1  0.529101  0.929866  0.366278  1
  Cu  Cu28  1  0.916920  0.448980  0.355536  1
  Cu  Cu29  1  0.303302  0.468925  0.345835  1
  Cu  Cu30  1  0.529101  0.429866  0.366278  1
  Cu  Cu31  1  0.965282  0.177370  0.367731  1
  Cu  Cu32  1  0.353515  0.195771  0.357440  1
  Cu  Cu33  1  0.741060  0.215295  0.346923  1
  Cu  Cu34  1  0.965282  0.677370  0.367731  1
  Cu  Cu35  1  0.353515  0.695771  0.357440  1
  Cu  Cu36  1  0.741060  0.715295  0.346923  1
  Cu  Cu37  1  0.754238  0.890127  0.387247  1
  Cu  Cu38  1  0.141180  0.910996  0.376851  1
  Cu  Cu39  1  0.366609  0.870659  0.397710  1
  Cu  Cu40  1  0.754238  0.390127  0.387247  1
  Cu  Cu41  1  0.141180  0.410996  0.376851  1
  Cu  Cu42  1  0.366609  0.370659  0.397710  1
  Cu  Cu43  1  0.803500  0.117483  0.399137  1
  Cu  Cu44  1  0.190645  0.137816  0.388999  1
  Cu  Cu45  1  0.578175  0.157299  0.378452  1
  Cu  Cu46  1  0.803500  0.617483  0.399137  1
  Cu  Cu47  1  0.190645  0.637816  0.388999  1
  Cu  Cu48  1  0.578175  0.657299  0.378452  1
  Cu  Cu49  1  0.591672  0.831543  0.418562  1
  Cu  Cu50  1  0.978929  0.851375  0.408018  1
  Cu  Cu51  1  0.203937  0.812219  0.429049  1
  Cu  Cu52  1  0.591672  0.331543  0.418562  1
  Cu  Cu53  1  0.978929  0.351375  0.408018  1
  Cu  Cu54  1  0.203937  0.312219  0.429049  1
  Cu  Cu55  1  0.640900  0.058907  0.430627  1
  Cu  Cu56  1  0.028030  0.078878  0.420163  1
  Cu  Cu57  1  0.415811  0.098052  0.409741  1
  Cu  Cu58  1  0.640900  0.558907  0.430627  1
  Cu  Cu59  1  0.028030  0.578878  0.420163  1
  Cu  Cu60  1  0.415811  0.598052  0.409741  1
  Cu  Cu61  1  0.429109  0.772669  0.449917  1
  Cu  Cu62  1  0.816542  0.792249  0.439450  1
  Cu  Cu63  1  0.041479  0.753208  0.460337  1
  Cu  Cu64  1  0.429109  0.272669  0.449917  1
  Cu  Cu65  1  0.816542  0.292249  0.439450  1
  Cu  Cu66  1  0.041479  0.253208  0.460337  1
  Cu  Cu67  1  0.478364  1.000009  0.461983  1
  Cu  Cu68  1  0.865806  0.019646  0.451492  1
  Cu  Cu69  1  0.253282  0.039344  0.441122  1
  Cu  Cu70  1  0.478364  0.500009  0.461983  1
  Cu  Cu71  1  0.865806  0.519646  0.451492  1
  Cu  Cu72  1  0.253282  0.539344  0.441122  1
  Cu  Cu73  1  0.266531  0.713901  0.481264  1
  Cu  Cu74  1  0.654104  0.733407  0.470812  1
  Cu  Cu75  1  0.879073  0.694198  0.491709  1
  Cu  Cu76  1  0.266531  0.213901  0.481264  1
  Cu  Cu77  1  0.654104  0.233407  0.470812  1
  Cu  Cu78  1  0.879073  0.194198  0.491709  1
  Cu  Cu79  1  0.315823  0.941186  0.493335  1
  Cu  Cu80  1  0.703380  0.960736  0.482880  1
  Cu  Cu81  1  0.090730  0.980544  0.472432  1
  Cu  Cu82  1  0.315823  0.441186  0.493335  1
  Cu  Cu83  1  0.703380  0.460736  0.482880  1
  Cu  Cu84  1  0.090730  0.480544  0.472432  1
  Cu  Cu85  1  0.104030  0.655019  0.512606  1
  Cu  Cu86  1  0.491586  0.674569  0.502151  1
  Cu  Cu87  1  0.716680  0.635211  0.523054  1
  Cu  Cu88  1  0.104030  0.155019  0.512606  1
  Cu  Cu89  1  0.491586  0.174569  0.502151  1
  Cu  Cu90  1  0.716680  0.135211  0.523054  1
  Cu  Cu91  1  0.153306  0.882348  0.524674  1
  Cu  Cu92  1  0.540878  0.901854  0.514222  1
  Cu  Cu93  1  0.928337  0.921557  0.503777  1
  Cu  Cu94  1  0.153306  0.382348  0.524674  1
  Cu  Cu95  1  0.540878  0.401854  0.514222  1
  Cu  Cu96  1  0.928337  0.421557  0.503777  1
  Cu  Cu97  1  0.941604  0.596109  0.543994  1
  Cu  Cu98  1  0.329046  0.615746  0.533503  1
  Cu  Cu99  1  0.554128  0.576411  0.554364  1
  Cu  Cu100  1  0.941604  0.096109  0.543994  1
  Cu  Cu101  1  0.329046  0.115746  0.533503  1
  Cu  Cu102  1  0.554128  0.076411  0.554364  1
  Cu  Cu103  1  0.990868  0.823506  0.556036  1
  Cu  Cu104  1  0.378301  0.843086  0.545569  1
  Cu  Cu105  1  0.765930  0.862547  0.535150  1
  Cu  Cu106  1  0.990868  0.323506  0.556036  1
  Cu  Cu107  1  0.378301  0.343086  0.545569  1
  Cu  Cu108  1  0.765930  0.362547  0.535150  1
  Cu  Cu109  1  0.779380  0.536877  0.575323  1
  Cu  Cu110  1  0.166510  0.556848  0.564859  1
  Cu  Cu111  1  0.391599  0.517703  0.585745  1
  Cu  Cu112  1  0.779380  0.036877  0.575323  1
  Cu  Cu113  1  0.166510  0.056848  0.564859  1
  Cu  Cu114  1  0.391599  0.017703  0.585745  1
  Cu  Cu115  1  0.828480  0.764380  0.587468  1
  Cu  Cu116  1  0.215737  0.784212  0.576924  1
  Cu  Cu117  1  0.603473  0.803536  0.566437  1
  Cu  Cu118  1  0.828480  0.264380  0.587468  1
  Cu  Cu119  1  0.215737  0.284212  0.576924  1
  Cu  Cu120  1  0.603473  0.303536  0.566437  1
  Cu  Cu121  1  0.616765  0.477939  0.606487  1
  Cu  Cu122  1  0.003910  0.498272  0.596349  1
  Cu  Cu123  1  0.229234  0.458456  0.617034  1
  Cu  Cu124  1  0.616765  0.977939  0.606487  1
  Cu  Cu125  1  0.003910  0.998272  0.596349  1
  Cu  Cu126  1  0.229234  0.958456  0.617034  1
  Cu  Cu127  1  0.666230  0.704759  0.618635  1
  Cu  Cu128  1  0.053171  0.725628  0.608239  1
  Cu  Cu129  1  0.440800  0.745096  0.597776  1
  Cu  Cu130  1  0.666230  0.204759  0.618635  1
  Cu  Cu131  1  0.053171  0.225628  0.608239  1
  Cu  Cu132  1  0.440800  0.245096  0.597776  1
  Cu  Cu133  1  0.453895  0.419984  0.638046  1
  Cu  Cu134  1  0.842127  0.438385  0.627755  1
  Cu  Cu135  1  0.066349  0.400460  0.648563  1
  Cu  Cu136  1  0.453895  0.919984  0.638046  1
  Cu  Cu137  1  0.842127  0.938385  0.627755  1
  Cu  Cu138  1  0.066349  0.900460  0.648563  1
  Cu  Cu139  1  0.504108  0.646830  0.649651  1
  Cu  Cu140  1  0.890489  0.666775  0.639950  1
  Cu  Cu141  1  0.278308  0.685889  0.629208  1
  Cu  Cu142  1  0.504108  0.146830  0.649651  1
  Cu  Cu143  1  0.890489  0.166775  0.639950  1
  Cu  Cu144  1  0.278308  0.185889  0.629208  1
  Cu  Cu145  1  0.292250  0.359924  0.668825  1
  Cu  Cu146  1  0.678038  0.378862  0.658260  1
  Cu  Cu147  1  0.903957  0.341441  0.680203  1
  Cu  Cu148  1  0.292250  0.859924  0.668825  1
  Cu  Cu149  1  0.678038  0.878862  0.658260  1
  Cu  Cu150  1  0.903957  0.841441  0.680203  1
  Cu  Cu151  1  0.342478  0.589777  0.681307  1
  Cu  Cu152  1  0.728667  0.605073  0.670700  1
  Cu  Cu153  1  0.115557  0.627701  0.659922  1
  Cu  Cu154  1  0.342478  0.089777  0.681307  1
  Cu  Cu155  1  0.728667  0.105073  0.670700  1
  Cu  Cu156  1  0.115557  0.127701  0.659922  1
  Cu  Cu157  1  0.130106  0.300330  0.699567  1
  Cu  Cu158  1  0.513246  0.322183  0.690013  1
  Cu  Cu159  1  0.740192  0.280941  0.708498  1
  Cu  Cu160  1  0.130106  0.800330  0.699567  1
  Cu  Cu161  1  0.513246  0.822183  0.690013  1
  Cu  Cu162  1  0.740192  0.780941  0.708498  1
  Cu  Cu163  1  0.178431  0.527261  0.709990  1
  Cu  Cu164  1  0.568053  0.547912  0.700803  1
  Cu  Cu165  1  0.953245  0.568781  0.691566  1
  Cu  Cu166  1  0.178431  0.027261  0.709990  1
  Cu  Cu167  1  0.568053  0.047912  0.700803  1
  Cu  Cu168  1  0.953245  0.068781  0.691566  1
