# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99189556
_cell_length_b   10.64675128
_cell_length_c   45.91826315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   3907.08051299
_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  1.002249  0.634356  0.295267  1
  Cu  Cu2  1  0.005528  0.420731  0.276855  1
  Cu  Cu3  1  0.003478  0.030476  0.285841  1
  Cu  Cu4  1  0.753473  0.374972  0.302079  1
  Cu  Cu5  1  0.753473  0.164268  0.282470  1
  Cu  Cu6  1  0.753473  0.769107  0.292371  1
  Cu  Cu7  1  0.504697  0.634356  0.295267  1
  Cu  Cu8  1  0.501418  0.420731  0.276855  1
  Cu  Cu9  1  0.503469  0.030476  0.285841  1
  Cu  Cu10  1  0.253473  0.502950  0.298772  1
  Cu  Cu11  1  0.253473  0.290402  0.279246  1
  Cu  Cu12  1  0.253473  0.897414  0.289349  1
  Cu  Cu13  1  0.004401  0.450850  0.327790  1
  Cu  Cu14  1  1.003224  0.238569  0.306343  1
  Cu  Cu15  1  1.003404  0.844909  0.316065  1
  Cu  Cu16  1  0.753473  0.189246  0.334401  1
  Cu  Cu17  1  0.753473  0.979039  0.312589  1
  Cu  Cu18  1  0.753473  0.583350  0.322319  1
  Cu  Cu19  1  0.502545  0.450850  0.327790  1
  Cu  Cu20  1  0.503722  0.238569  0.306343  1
  Cu  Cu21  1  0.503542  0.844909  0.316065  1
  Cu  Cu22  1  0.253473  0.318232  0.330870  1
  Cu  Cu23  1  0.253473  0.105740  0.309507  1
  Cu  Cu24  1  0.253473  0.711233  0.319601  1
  Cu  Cu25  1  0.003576  0.266011  0.359473  1
  Cu  Cu26  1  1.003321  0.054805  0.337981  1
  Cu  Cu27  1  1.002843  0.661367  0.348136  1
  Cu  Cu28  1  0.753473  1.004761  0.366280  1
  Cu  Cu29  1  0.753473  0.794335  0.344582  1
  Cu  Cu30  1  0.753473  0.400055  0.355465  1
  Cu  Cu31  1  0.503370  0.266011  0.359473  1
  Cu  Cu32  1  0.503625  0.054805  0.337981  1
  Cu  Cu33  1  0.504103  0.661367  0.348136  1
  Cu  Cu34  1  0.253473  0.132601  0.362907  1
  Cu  Cu35  1  0.253473  0.921656  0.341460  1
  Cu  Cu36  1  0.253473  0.528555  0.352248  1
  Cu  Cu37  1  0.003505  0.081726  0.391680  1
  Cu  Cu38  1  1.003367  0.870979  0.369847  1
  Cu  Cu39  1  0.003543  0.477215  0.380998  1
  Cu  Cu40  1  0.753473  0.821013  0.398548  1
  Cu  Cu41  1  0.753473  0.610499  0.376616  1
  Cu  Cu42  1  0.753473  0.215802  0.388031  1
  Cu  Cu43  1  0.503442  0.081726  0.391680  1
  Cu  Cu44  1  0.503580  0.870979  0.369847  1
  Cu  Cu45  1  0.503403  0.477215  0.380998  1
  Cu  Cu46  1  0.253473  0.947949  0.395289  1
  Cu  Cu47  1  0.253473  0.737617  0.373545  1
  Cu  Cu48  1  0.253473  0.343444  0.384642  1
  Cu  Cu49  1  1.003462  0.897718  0.423941  1
  Cu  Cu50  1  1.003408  0.687408  0.402269  1
  Cu  Cu51  1  0.003530  0.292693  0.413309  1
  Cu  Cu52  1  0.753473  0.637206  0.430883  1
  Cu  Cu53  1  0.753473  0.426748  0.409433  1
  Cu  Cu54  1  0.753473  0.031669  0.420279  1
  Cu  Cu55  1  0.503484  0.897718  0.423941  1
  Cu  Cu56  1  0.503538  0.687408  0.402269  1
  Cu  Cu57  1  0.503416  0.292693  0.413309  1
  Cu  Cu58  1  0.253473  0.763953  0.427719  1
  Cu  Cu59  1  0.253473  0.553806  0.406260  1
  Cu  Cu60  1  0.253473  0.158708  0.416935  1
  Cu  Cu61  1  1.003460  0.713817  0.456365  1
  Cu  Cu62  1  0.003483  0.503395  0.434869  1
  Cu  Cu63  1  0.003499  0.108433  0.445609  1
  Cu  Cu64  1  0.753473  0.453263  0.463439  1
  Cu  Cu65  1  0.753473  0.242541  0.441903  1
  Cu  Cu66  1  0.753473  0.847684  0.452582  1
  Cu  Cu67  1  0.503486  0.713817  0.456365  1
  Cu  Cu68  1  0.503463  0.503395  0.434869  1
  Cu  Cu69  1  0.503447  0.108433  0.445609  1
  Cu  Cu70  1  0.253473  0.579944  0.460231  1
  Cu  Cu71  1  0.253473  0.369380  0.438615  1
  Cu  Cu72  1  0.253473  0.974428  0.449323  1
  Cu  Cu73  1  1.003469  0.529819  0.488846  1
  Cu  Cu74  1  0.003487  0.319176  0.467242  1
  Cu  Cu75  1  0.003487  0.924315  0.477964  1
  Cu  Cu76  1  0.753473  0.269110  0.495847  1
  Cu  Cu77  1  0.753473  0.058357  0.474226  1
  Cu  Cu78  1  0.753473  0.663757  0.484988  1
  Cu  Cu79  1  0.503477  0.529819  0.488846  1
  Cu  Cu80  1  0.503459  0.319176  0.467242  1
  Cu  Cu81  1  0.503459  0.924315  0.477964  1
  Cu  Cu82  1  0.253473  0.395746  0.492581  1
  Cu  Cu83  1  0.253473  0.185066  0.470943  1
  Cu  Cu84  1  0.253473  0.790376  0.481787  1
  Cu  Cu85  1  0.003483  0.345687  0.521209  1
  Cu  Cu86  1  0.003496  0.134970  0.499573  1
  Cu  Cu87  1  0.003473  0.740315  0.510432  1
  Cu  Cu88  1  0.753473  0.084886  0.528167  1
  Cu  Cu89  1  0.753473  0.874237  0.506569  1
  Cu  Cu90  1  0.753473  0.479775  0.517458  1
  Cu  Cu91  1  0.503463  0.345687  0.521209  1
  Cu  Cu92  1  0.503450  0.134970  0.499573  1
  Cu  Cu93  1  0.503473  0.740315  0.510432  1
  Cu  Cu94  1  0.253473  0.211540  0.524924  1
  Cu  Cu95  1  0.253473  1.000879  0.503352  1
  Cu  Cu96  1  0.253473  0.606353  0.514219  1
  Cu  Cu97  1  0.003515  0.161464  0.553529  1
  Cu  Cu98  1  0.003505  0.950796  0.531969  1
  Cu  Cu99  1  1.003471  0.556320  0.542864  1
  Cu  Cu100  1  0.753473  0.900610  0.560502  1
  Cu  Cu101  1  0.753473  0.690226  0.539048  1
  Cu  Cu102  1  0.753473  0.295638  0.549808  1
  Cu  Cu103  1  0.503431  0.161464  0.553529  1
  Cu  Cu104  1  0.503441  0.950796  0.531969  1
  Cu  Cu105  1  0.503475  0.556320  0.542864  1
  Cu  Cu106  1  0.253473  0.027325  0.557359  1
  Cu  Cu107  1  0.253473  0.816824  0.535856  1
  Cu  Cu108  1  0.253473  0.422245  0.546544  1
  Cu  Cu109  1  0.003571  0.977188  0.585955  1
  Cu  Cu110  1  1.003452  0.766803  0.564529  1
  Cu  Cu111  1  0.003499  0.372197  0.575199  1
  Cu  Cu112  1  0.753473  0.716481  0.593127  1
  Cu  Cu113  1  0.753473  0.506250  0.571501  1
  Cu  Cu114  1  0.753473  0.111312  0.582069  1
  Cu  Cu115  1  0.503376  0.977188  0.585955  1
  Cu  Cu116  1  0.503495  0.766803  0.564529  1
  Cu  Cu117  1  0.503447  0.372197  0.575199  1
  Cu  Cu118  1  0.253473  0.843277  0.589969  1
  Cu  Cu119  1  0.253473  0.632897  0.568227  1
  Cu  Cu120  1  0.253473  0.238067  0.578878  1
  Cu  Cu121  1  1.003363  0.793458  0.618749  1
  Cu  Cu122  1  1.003462  0.582861  0.596910  1
  Cu  Cu123  1  0.003576  0.187802  0.607461  1
  Cu  Cu124  1  0.753473  0.532323  0.625630  1
  Cu  Cu125  1  0.753473  0.322005  0.603755  1
  Cu  Cu126  1  0.753473  0.926752  0.614272  1
  Cu  Cu127  1  0.503583  0.793458  0.618749  1
  Cu  Cu128  1  0.503484  0.582861  0.596910  1
  Cu  Cu129  1  0.503370  0.187802  0.607461  1
  Cu  Cu130  1  0.253473  0.659856  0.622275  1
  Cu  Cu131  1  0.253473  0.448959  0.600477  1
  Cu  Cu132  1  0.253473  0.053681  0.611313  1
  Cu  Cu133  1  0.003653  0.609595  0.650764  1
  Cu  Cu134  1  0.003512  0.398587  0.629231  1
  Cu  Cu135  1  0.004146  1.003289  0.639957  1
  Cu  Cu136  1  0.753473  0.347491  0.657553  1
  Cu  Cu137  1  0.753473  0.137505  0.635931  1
  Cu  Cu138  1  0.753473  0.742171  0.647163  1
  Cu  Cu139  1  0.503293  0.609595  0.650764  1
  Cu  Cu140  1  0.503434  0.398587  0.629231  1
  Cu  Cu141  1  0.502800  1.003289  0.639957  1
  Cu  Cu142  1  0.253473  0.476426  0.654161  1
  Cu  Cu143  1  0.253473  0.264952  0.632774  1
  Cu  Cu144  1  0.253473  0.869416  0.644189  1
  Cu  Cu145  1  1.003295  0.425175  0.682667  1
  Cu  Cu146  1  0.003767  0.213403  0.661183  1
  Cu  Cu147  1  1.002345  0.820120  0.672882  1
  Cu  Cu148  1  0.753473  0.163428  0.689336  1
  Cu  Cu149  1  0.753473  0.952791  0.667200  1
  Cu  Cu150  1  0.753473  0.558690  0.679281  1
  Cu  Cu151  1  0.503651  0.425175  0.682667  1
  Cu  Cu152  1  0.503179  0.213403  0.661183  1
  Cu  Cu153  1  0.504601  0.820120  0.672882  1
  Cu  Cu154  1  0.253473  0.292842  0.685969  1
  Cu  Cu155  1  0.253473  0.080227  0.664833  1
  Cu  Cu156  1  0.253473  0.685889  0.676100  1
  Cu  Cu157  1  1.002355  0.240239  0.712889  1
  Cu  Cu158  1  0.004968  0.028580  0.693435  1
  Cu  Cu159  1  0.003539  0.634348  0.702948  1
  Cu  Cu160  1  0.753473  0.977582  0.717843  1
  Cu  Cu161  1  0.753473  0.767862  0.699941  1
  Cu  Cu162  1  0.753473  0.373062  0.709541  1
  Cu  Cu163  1  0.504591  0.240239  0.712889  1
  Cu  Cu164  1  0.501978  0.028580  0.693435  1
  Cu  Cu165  1  0.503408  0.634348  0.702948  1
  Cu  Cu166  1  0.253473  0.112061  0.715928  1
  Cu  Cu167  1  0.253473  0.895461  0.697272  1
  Cu  Cu168  1  0.253473  0.501263  0.706306  1
