# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05974262
_cell_length_b   9.60295076
_cell_length_c   46.13585249
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.95886957
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu168
_cell_volume   4439.34062848
_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  0.241152  0.059337  0.292222  1
  Cu  Cu2  1  0.620712  0.093816  0.283980  1
  Cu  Cu3  1  0.854220  0.040194  0.301313  1
  Cu  Cu4  1  0.241152  0.559337  0.292222  1
  Cu  Cu5  1  0.620712  0.593816  0.283980  1
  Cu  Cu6  1  0.854220  0.540194  0.301313  1
  Cu  Cu7  1  0.300798  0.284633  0.302885  1
  Cu  Cu8  1  0.679369  0.313662  0.293526  1
  Cu  Cu9  1  0.068878  0.331062  0.285284  1
  Cu  Cu10  1  0.300798  0.784633  0.302885  1
  Cu  Cu11  1  0.679369  0.813662  0.293526  1
  Cu  Cu12  1  0.068878  0.831062  0.285284  1
  Cu  Cu13  1  0.082028  1.002897  0.323326  1
  Cu  Cu14  1  0.466360  0.016701  0.312431  1
  Cu  Cu15  1  0.694818  0.980355  0.334033  1
  Cu  Cu16  1  0.082028  0.502897  0.323326  1
  Cu  Cu17  1  0.466360  0.516701  0.312431  1
  Cu  Cu18  1  0.694818  0.480355  0.334033  1
  Cu  Cu19  1  0.133318  0.228485  0.335584  1
  Cu  Cu20  1  0.517824  0.248905  0.326008  1
  Cu  Cu21  1  0.907565  0.264615  0.313166  1
  Cu  Cu22  1  0.133318  0.728485  0.335584  1
  Cu  Cu23  1  0.517824  0.748905  0.326008  1
  Cu  Cu24  1  0.907565  0.764615  0.313166  1
  Cu  Cu25  1  0.920146  0.939901  0.353730  1
  Cu  Cu26  1  0.305891  0.960046  0.344349  1
  Cu  Cu27  1  0.532848  0.921510  0.364926  1
  Cu  Cu28  1  0.920146  0.439901  0.353730  1
  Cu  Cu29  1  0.305891  0.460046  0.344349  1
  Cu  Cu30  1  0.532848  0.421510  0.364926  1
  Cu  Cu31  1  0.968918  0.168111  0.366125  1
  Cu  Cu32  1  0.356526  0.186504  0.355997  1
  Cu  Cu33  1  0.744697  0.206884  0.345278  1
  Cu  Cu34  1  0.968918  0.668111  0.366125  1
  Cu  Cu35  1  0.356526  0.686504  0.355997  1
  Cu  Cu36  1  0.744697  0.706884  0.345278  1
  Cu  Cu37  1  0.758366  0.879815  0.385604  1
  Cu  Cu38  1  0.144401  0.901189  0.375279  1
  Cu  Cu39  1  0.370591  0.860095  0.396091  1
  Cu  Cu40  1  0.758366  0.379815  0.385604  1
  Cu  Cu41  1  0.144401  0.401189  0.375279  1
  Cu  Cu42  1  0.370591  0.360095  0.396091  1
  Cu  Cu43  1  0.807926  0.106629  0.397455  1
  Cu  Cu44  1  0.194432  0.127435  0.387394  1
  Cu  Cu45  1  0.582220  0.147674  0.377085  1
  Cu  Cu46  1  0.807926  0.606629  0.397455  1
  Cu  Cu47  1  0.194432  0.627435  0.387394  1
  Cu  Cu48  1  0.582220  0.647674  0.377085  1
  Cu  Cu49  1  0.596209  0.820158  0.416983  1
  Cu  Cu50  1  0.983037  0.840322  0.406325  1
  Cu  Cu51  1  0.208326  0.800374  0.427370  1
  Cu  Cu52  1  0.596209  0.320158  0.416983  1
  Cu  Cu53  1  0.983037  0.340322  0.406325  1
  Cu  Cu54  1  0.208326  0.300374  0.427370  1
  Cu  Cu55  1  0.645635  0.046893  0.429003  1
  Cu  Cu56  1  0.032409  0.067338  0.418519  1
  Cu  Cu57  1  0.419876  0.087029  0.408215  1
  Cu  Cu58  1  0.645635  0.546893  0.429003  1
  Cu  Cu59  1  0.032409  0.567338  0.418519  1
  Cu  Cu60  1  0.419876  0.587029  0.408215  1
  Cu  Cu61  1  0.433962  0.760012  0.448224  1
  Cu  Cu62  1  0.821299  0.779871  0.437752  1
  Cu  Cu63  1  0.046411  0.740109  0.458611  1
  Cu  Cu64  1  0.433962  0.260012  0.448224  1
  Cu  Cu65  1  0.821299  0.279871  0.437752  1
  Cu  Cu66  1  0.046411  0.240109  0.458611  1
  Cu  Cu67  1  0.483388  0.986814  0.460324  1
  Cu  Cu68  1  0.870742  0.006798  0.449788  1
  Cu  Cu69  1  0.257925  0.026931  0.439466  1
  Cu  Cu70  1  0.483388  0.486814  0.460324  1
  Cu  Cu71  1  0.870742  0.506798  0.449788  1
  Cu  Cu72  1  0.257925  0.526931  0.439466  1
  Cu  Cu73  1  0.271787  0.699967  0.479504  1
  Cu  Cu74  1  0.659317  0.719833  0.469104  1
  Cu  Cu75  1  0.884532  0.679802  0.489949  1
  Cu  Cu76  1  0.271787  0.199967  0.479504  1
  Cu  Cu77  1  0.659317  0.219833  0.469104  1
  Cu  Cu78  1  0.884532  0.179802  0.489949  1
  Cu  Cu79  1  0.321281  0.926701  0.491594  1
  Cu  Cu80  1  0.708785  0.946639  0.481159  1
  Cu  Cu81  1  0.095872  0.966917  0.470716  1
  Cu  Cu82  1  0.321281  0.426701  0.491594  1
  Cu  Cu83  1  0.708785  0.446639  0.481159  1
  Cu  Cu84  1  0.095872  0.466917  0.470716  1
  Cu  Cu85  1  0.109713  0.639850  0.510809  1
  Cu  Cu86  1  0.497217  0.659788  0.500374  1
  Cu  Cu87  1  0.722626  0.619572  0.521253  1
  Cu  Cu88  1  0.109713  0.139850  0.510809  1
  Cu  Cu89  1  0.497217  0.159788  0.500374  1
  Cu  Cu90  1  0.722626  0.119572  0.521253  1
  Cu  Cu91  1  0.159181  0.866657  0.522864  1
  Cu  Cu92  1  0.546711  0.886522  0.512464  1
  Cu  Cu93  1  0.933966  0.906687  0.502019  1
  Cu  Cu94  1  0.159181  0.366657  0.522864  1
  Cu  Cu95  1  0.546711  0.386522  0.512464  1
  Cu  Cu96  1  0.933966  0.406687  0.502019  1
  Cu  Cu97  1  0.947756  0.579691  0.542180  1
  Cu  Cu98  1  0.335110  0.599675  0.531644  1
  Cu  Cu99  1  0.560573  0.559559  0.552502  1
  Cu  Cu100  1  0.947756  0.079691  0.542180  1
  Cu  Cu101  1  0.335110  0.099675  0.531644  1
  Cu  Cu102  1  0.560573  0.059559  0.552502  1
  Cu  Cu103  1  0.997199  0.806619  0.554216  1
  Cu  Cu104  1  0.384536  0.826477  0.543745  1
  Cu  Cu105  1  0.772087  0.846380  0.533357  1
  Cu  Cu106  1  0.997199  0.306619  0.554216  1
  Cu  Cu107  1  0.384536  0.326477  0.543745  1
  Cu  Cu108  1  0.772087  0.346380  0.533357  1
  Cu  Cu109  1  0.786089  0.519151  0.573449  1
  Cu  Cu110  1  0.172863  0.539597  0.562965  1
  Cu  Cu111  1  0.398622  0.499460  0.583753  1
  Cu  Cu112  1  0.786089  0.019151  0.573449  1
  Cu  Cu113  1  0.172863  0.039597  0.562965  1
  Cu  Cu114  1  0.398622  0.999460  0.583753  1
  Cu  Cu115  1  0.835461  0.746167  0.585644  1
  Cu  Cu116  1  0.222289  0.766331  0.574986  1
  Cu  Cu117  1  0.610172  0.786115  0.564598  1
  Cu  Cu118  1  0.835461  0.246167  0.585644  1
  Cu  Cu119  1  0.222289  0.266331  0.574986  1
  Cu  Cu120  1  0.610172  0.286115  0.564598  1
  Cu  Cu121  1  0.624066  0.459054  0.604574  1
  Cu  Cu122  1  0.010572  0.479860  0.594513  1
  Cu  Cu123  1  0.236278  0.438815  0.614884  1
  Cu  Cu124  1  0.624066  0.959054  0.604574  1
  Cu  Cu125  1  0.010572  0.979860  0.594513  1
  Cu  Cu126  1  0.236278  0.938815  0.614884  1
  Cu  Cu127  1  0.674097  0.685300  0.616689  1
  Cu  Cu128  1  0.060132  0.706674  0.606364  1
  Cu  Cu129  1  0.447907  0.726394  0.595878  1
  Cu  Cu130  1  0.674097  0.185300  0.616689  1
  Cu  Cu131  1  0.060132  0.206674  0.606364  1
  Cu  Cu132  1  0.447907  0.226394  0.595878  1
  Cu  Cu133  1  0.461972  0.399985  0.635972  1
  Cu  Cu134  1  0.849580  0.418379  0.625843  1
  Cu  Cu135  1  0.073801  0.379605  0.646691  1
  Cu  Cu136  1  0.461972  0.899985  0.635972  1
  Cu  Cu137  1  0.849580  0.918379  0.625843  1
  Cu  Cu138  1  0.073801  0.879605  0.646691  1
  Cu  Cu139  1  0.512606  0.626443  0.647619  1
  Cu  Cu140  1  0.898352  0.646588  0.638238  1
  Cu  Cu141  1  0.285650  0.664979  0.627043  1
  Cu  Cu142  1  0.512606  0.126443  0.647619  1
  Cu  Cu143  1  0.898352  0.146588  0.638238  1
  Cu  Cu144  1  0.285650  0.164979  0.627043  1
  Cu  Cu145  1  0.300674  0.337584  0.665960  1
  Cu  Cu146  1  0.685180  0.358004  0.656385  1
  Cu  Cu147  1  0.910933  0.321874  0.678803  1
  Cu  Cu148  1  0.300674  0.837584  0.665960  1
  Cu  Cu149  1  0.685180  0.858004  0.656385  1
  Cu  Cu150  1  0.910933  0.821874  0.678803  1
  Cu  Cu151  1  0.352138  0.569788  0.679537  1
  Cu  Cu152  1  0.736470  0.583592  0.668642  1
  Cu  Cu153  1  0.123680  0.606134  0.657935  1
  Cu  Cu154  1  0.352138  0.069788  0.679537  1
  Cu  Cu155  1  0.736470  0.083592  0.668642  1
  Cu  Cu156  1  0.123680  0.106134  0.657935  1
  Cu  Cu157  1  0.139129  0.272827  0.698443  1
  Cu  Cu158  1  0.517700  0.301856  0.689083  1
  Cu  Cu159  1  0.749620  0.255427  0.706684  1
  Cu  Cu160  1  0.139129  0.772827  0.698443  1
  Cu  Cu161  1  0.517700  0.801856  0.689083  1
  Cu  Cu162  1  0.749620  0.755427  0.706684  1
  Cu  Cu163  1  0.197786  0.492673  0.707988  1
  Cu  Cu164  1  0.577346  0.527152  0.699746  1
  Cu  Cu165  1  0.964278  0.546295  0.690655  1
  Cu  Cu166  1  0.197786  0.992673  0.707988  1
  Cu  Cu167  1  0.577346  0.027152  0.699746  1
  Cu  Cu168  1  0.964278  0.046295  0.690655  1
