# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.07919495
_cell_length_b   9.75275363
_cell_length_c   45.98648312
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.19847460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4510.65609553
_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  0.236899  0.069711  0.294457  1
  Cu  Cu2  1  0.625913  0.090976  0.285114  1
  Cu  Cu3  1  0.851866  0.048486  0.303904  1
  Cu  Cu4  1  0.236899  0.569711  0.294457  1
  Cu  Cu5  1  0.625913  0.590976  0.285114  1
  Cu  Cu6  1  0.851866  0.548486  0.303904  1
  Cu  Cu7  1  0.292679  0.295448  0.305457  1
  Cu  Cu8  1  0.675903  0.317269  0.295654  1
  Cu  Cu9  1  0.065701  0.336456  0.286564  1
  Cu  Cu10  1  0.292679  0.795448  0.305457  1
  Cu  Cu11  1  0.675903  0.817269  0.295654  1
  Cu  Cu12  1  0.065701  0.836456  0.286564  1
  Cu  Cu13  1  0.076672  0.011681  0.325044  1
  Cu  Cu14  1  0.462716  0.027691  0.314380  1
  Cu  Cu15  1  0.689480  0.989959  0.335773  1
  Cu  Cu16  1  0.076672  0.511681  0.325044  1
  Cu  Cu17  1  0.462716  0.527691  0.314380  1
  Cu  Cu18  1  0.689480  0.489959  0.335773  1
  Cu  Cu19  1  0.127828  0.238538  0.337413  1
  Cu  Cu20  1  0.514015  0.257322  0.326943  1
  Cu  Cu21  1  0.902390  0.275962  0.315569  1
  Cu  Cu22  1  0.127828  0.738538  0.337413  1
  Cu  Cu23  1  0.514015  0.757322  0.326943  1
  Cu  Cu24  1  0.902390  0.775962  0.315569  1
  Cu  Cu25  1  0.914792  0.950918  0.356021  1
  Cu  Cu26  1  0.301237  0.970757  0.346168  1
  Cu  Cu27  1  0.527202  0.931731  0.366757  1
  Cu  Cu28  1  0.914792  0.450918  0.356021  1
  Cu  Cu29  1  0.301237  0.470757  0.346168  1
  Cu  Cu30  1  0.527202  0.431731  0.366757  1
  Cu  Cu31  1  0.963843  0.179095  0.368194  1
  Cu  Cu32  1  0.351952  0.197722  0.357873  1
  Cu  Cu33  1  0.739672  0.217259  0.347274  1
  Cu  Cu34  1  0.963843  0.679095  0.368194  1
  Cu  Cu35  1  0.351952  0.697722  0.357873  1
  Cu  Cu36  1  0.739672  0.717259  0.347274  1
  Cu  Cu37  1  0.752416  0.892176  0.387638  1
  Cu  Cu38  1  0.139362  0.912735  0.377307  1
  Cu  Cu39  1  0.364813  0.872757  0.398097  1
  Cu  Cu40  1  0.752416  0.392176  0.387638  1
  Cu  Cu41  1  0.139362  0.412735  0.377307  1
  Cu  Cu42  1  0.364813  0.372757  0.398097  1
  Cu  Cu43  1  0.801612  0.119659  0.399534  1
  Cu  Cu44  1  0.188846  0.139779  0.389382  1
  Cu  Cu45  1  0.576602  0.159172  0.378900  1
  Cu  Cu46  1  0.801612  0.619659  0.399534  1
  Cu  Cu47  1  0.188846  0.639779  0.389382  1
  Cu  Cu48  1  0.576602  0.659172  0.378900  1
  Cu  Cu49  1  0.589883  0.833764  0.418926  1
  Cu  Cu50  1  0.977099  0.853507  0.408406  1
  Cu  Cu51  1  0.202152  0.814404  0.429386  1
  Cu  Cu52  1  0.589883  0.333764  0.418926  1
  Cu  Cu53  1  0.977099  0.353507  0.408406  1
  Cu  Cu54  1  0.202152  0.314404  0.429386  1
  Cu  Cu55  1  0.638911  0.061126  0.430969  1
  Cu  Cu56  1  0.026079  0.081030  0.420531  1
  Cu  Cu57  1  0.413857  0.100232  0.410120  1
  Cu  Cu58  1  0.638911  0.561126  0.430969  1
  Cu  Cu59  1  0.026079  0.581030  0.420531  1
  Cu  Cu60  1  0.413857  0.600232  0.410120  1
  Cu  Cu61  1  0.427290  0.775006  0.450208  1
  Cu  Cu62  1  0.814729  0.794539  0.439763  1
  Cu  Cu63  1  0.039637  0.755589  0.460612  1
  Cu  Cu64  1  0.427290  0.275006  0.450208  1
  Cu  Cu65  1  0.814729  0.294539  0.439763  1
  Cu  Cu66  1  0.039637  0.255589  0.460612  1
  Cu  Cu67  1  0.476248  0.002396  0.462264  1
  Cu  Cu68  1  0.863718  0.021982  0.451795  1
  Cu  Cu69  1  0.251238  0.041594  0.441435  1
  Cu  Cu70  1  0.476248  0.502396  0.462264  1
  Cu  Cu71  1  0.863718  0.521982  0.451795  1
  Cu  Cu72  1  0.251238  0.541594  0.441435  1
  Cu  Cu73  1  0.264652  0.716368  0.481495  1
  Cu  Cu74  1  0.652231  0.735847  0.471067  1
  Cu  Cu75  1  0.877164  0.696727  0.491920  1
  Cu  Cu76  1  0.264652  0.216368  0.481495  1
  Cu  Cu77  1  0.652231  0.235847  0.471067  1
  Cu  Cu78  1  0.877164  0.196727  0.491920  1
  Cu  Cu79  1  0.313640  0.943694  0.493553  1
  Cu  Cu80  1  0.701212  0.963203  0.483121  1
  Cu  Cu81  1  0.088601  0.982954  0.472695  1
  Cu  Cu82  1  0.313640  0.443694  0.493553  1
  Cu  Cu83  1  0.701212  0.463203  0.483121  1
  Cu  Cu84  1  0.088601  0.482954  0.472695  1
  Cu  Cu85  1  0.102072  0.657647  0.512777  1
  Cu  Cu86  1  0.489644  0.677157  0.502344  1
  Cu  Cu87  1  0.714683  0.637896  0.523203  1
  Cu  Cu88  1  0.102072  0.157647  0.512777  1
  Cu  Cu89  1  0.489644  0.177157  0.502344  1
  Cu  Cu90  1  0.714683  0.137896  0.523203  1
  Cu  Cu91  1  0.151053  0.885003  0.524830  1
  Cu  Cu92  1  0.538632  0.904483  0.514403  1
  Cu  Cu93  1  0.926120  0.924123  0.503978  1
  Cu  Cu94  1  0.151053  0.385003  0.524830  1
  Cu  Cu95  1  0.538632  0.404483  0.514403  1
  Cu  Cu96  1  0.926120  0.424123  0.503978  1
  Cu  Cu97  1  0.939566  0.598868  0.544103  1
  Cu  Cu98  1  0.327036  0.618454  0.533634  1
  Cu  Cu99  1  0.552046  0.579256  0.554462  1
  Cu  Cu100  1  0.939566  0.098868  0.544103  1
  Cu  Cu101  1  0.327036  0.118454  0.533634  1
  Cu  Cu102  1  0.552046  0.079256  0.554462  1
  Cu  Cu103  1  0.988555  0.826312  0.556135  1
  Cu  Cu104  1  0.375994  0.845844  0.545690  1
  Cu  Cu105  1  0.763647  0.865261  0.535285  1
  Cu  Cu106  1  0.988555  0.326312  0.556135  1
  Cu  Cu107  1  0.375994  0.345844  0.545690  1
  Cu  Cu108  1  0.763647  0.365261  0.535285  1
  Cu  Cu109  1  0.777205  0.539820  0.575367  1
  Cu  Cu110  1  0.164373  0.559725  0.564929  1
  Cu  Cu111  1  0.389427  0.520618  0.585778  1
  Cu  Cu112  1  0.777205  0.039820  0.575367  1
  Cu  Cu113  1  0.164373  0.059725  0.564929  1
  Cu  Cu114  1  0.389427  0.020618  0.585778  1
  Cu  Cu115  1  0.826185  0.767343  0.587491  1
  Cu  Cu116  1  0.213401  0.787086  0.576971  1
  Cu  Cu117  1  0.601132  0.806447  0.566512  1
  Cu  Cu118  1  0.826185  0.267343  0.587491  1
  Cu  Cu119  1  0.213401  0.287086  0.576971  1
  Cu  Cu120  1  0.601132  0.306447  0.566512  1
  Cu  Cu121  1  0.614439  0.481071  0.606516  1
  Cu  Cu122  1  1.001672  0.501191  0.596363  1
  Cu  Cu123  1  0.226682  0.461678  0.616998  1
  Cu  Cu124  1  0.614439  0.981071  0.606516  1
  Cu  Cu125  1  1.001672  1.001191  0.596363  1
  Cu  Cu126  1  0.226682  0.961678  0.616998  1
  Cu  Cu127  1  0.663922  0.708115  0.618591  1
  Cu  Cu128  1  0.050868  0.728674  0.608260  1
  Cu  Cu129  1  0.438471  0.748093  0.597801  1
  Cu  Cu130  1  0.663922  0.208115  0.618591  1
  Cu  Cu131  1  0.050868  0.228674  0.608260  1
  Cu  Cu132  1  0.438471  0.248093  0.597801  1
  Cu  Cu133  1  0.451332  0.423128  0.638024  1
  Cu  Cu134  1  0.839442  0.441755  0.627704  1
  Cu  Cu135  1  0.063612  0.403591  0.648624  1
  Cu  Cu136  1  0.451332  0.923128  0.638024  1
  Cu  Cu137  1  0.839442  0.941755  0.627704  1
  Cu  Cu138  1  0.063612  0.903591  0.648624  1
  Cu  Cu139  1  0.502047  0.650094  0.649730  1
  Cu  Cu140  1  0.888492  0.669932  0.639877  1
  Cu  Cu141  1  0.276082  0.689119  0.629140  1
  Cu  Cu142  1  0.502047  0.150094  0.649730  1
  Cu  Cu143  1  0.888492  0.169932  0.639877  1
  Cu  Cu144  1  0.276082  0.189119  0.629140  1
  Cu  Cu145  1  0.289269  0.363528  0.668955  1
  Cu  Cu146  1  0.675456  0.382312  0.658485  1
  Cu  Cu147  1  0.900894  0.344888  0.680329  1
  Cu  Cu148  1  0.289269  0.863528  0.668955  1
  Cu  Cu149  1  0.675456  0.882312  0.658485  1
  Cu  Cu150  1  0.900894  0.844888  0.680329  1
  Cu  Cu151  1  0.340568  0.593160  0.681517  1
  Cu  Cu152  1  0.726612  0.609170  0.670853  1
  Cu  Cu153  1  0.113804  0.630891  0.660125  1
  Cu  Cu154  1  0.340568  0.093160  0.681517  1
  Cu  Cu155  1  0.726612  0.109170  0.670853  1
  Cu  Cu156  1  0.113804  0.130891  0.660125  1
  Cu  Cu157  1  0.127381  0.303581  0.700243  1
  Cu  Cu158  1  0.510605  0.325402  0.690440  1
  Cu  Cu159  1  0.737584  0.284394  0.709334  1
  Cu  Cu160  1  0.127381  0.803581  0.700243  1
  Cu  Cu161  1  0.510605  0.825402  0.690440  1
  Cu  Cu162  1  0.737584  0.784394  0.709334  1
  Cu  Cu163  1  0.177371  0.529874  0.710783  1
  Cu  Cu164  1  0.566385  0.551139  0.701441  1
  Cu  Cu165  1  0.951418  0.572364  0.691993  1
  Cu  Cu166  1  0.177371  0.029874  0.710783  1
  Cu  Cu167  1  0.566385  0.051139  0.701441  1
  Cu  Cu168  1  0.951418  0.072364  0.691993  1
