# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10192553
_cell_length_b   11.34029622
_cell_length_c   49.93305248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2815.84297788
_cell_formula_units_Z   108
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  0.766661  0.030445  0.290224  1
  Cu  Cu2  1  0.924155  0.344943  0.305030  1
  Cu  Cu3  1  0.615176  0.727139  0.274870  1
  Cu  Cu4  1  0.082990  0.162983  0.322915  1
  Cu  Cu5  1  0.769911  0.536281  0.289505  1
  Cu  Cu6  1  0.926765  0.850494  0.307802  1
  Cu  Cu7  1  0.582990  0.162983  0.322915  1
  Cu  Cu8  1  0.269911  0.536281  0.289505  1
  Cu  Cu9  1  0.426765  0.850494  0.307802  1
  Cu  Cu10  1  0.266661  0.030445  0.290224  1
  Cu  Cu11  1  0.424155  0.344943  0.305030  1
  Cu  Cu12  1  0.115176  0.727139  0.274870  1
  Cu  Cu13  1  0.241788  0.980672  0.340506  1
  Cu  Cu14  1  0.399078  0.295297  0.355959  1
  Cu  Cu15  1  0.083417  0.663748  0.323531  1
  Cu  Cu16  1  0.557419  0.112107  0.373199  1
  Cu  Cu17  1  0.240438  0.477872  0.339033  1
  Cu  Cu18  1  0.398941  0.795051  0.356857  1
  Cu  Cu19  1  0.057419  0.112107  0.373199  1
  Cu  Cu20  1  0.740438  0.477872  0.339033  1
  Cu  Cu21  1  0.898941  0.795051  0.356857  1
  Cu  Cu22  1  0.741788  0.980672  0.340506  1
  Cu  Cu23  1  0.899078  0.295297  0.355959  1
  Cu  Cu24  1  0.583417  0.663748  0.323531  1
  Cu  Cu25  1  0.714750  0.926880  0.390089  1
  Cu  Cu26  1  0.872456  0.242368  0.406428  1
  Cu  Cu27  1  0.555999  0.609255  0.372935  1
  Cu  Cu28  1  0.030236  0.058044  0.423273  1
  Cu  Cu29  1  0.714139  0.425625  0.389462  1
  Cu  Cu30  1  0.871924  0.741323  0.406491  1
  Cu  Cu31  1  0.530236  0.058044  0.423273  1
  Cu  Cu32  1  0.214139  0.425625  0.389462  1
  Cu  Cu33  1  0.371924  0.741323  0.406491  1
  Cu  Cu34  1  0.214750  0.926880  0.390089  1
  Cu  Cu35  1  0.372456  0.242368  0.406428  1
  Cu  Cu36  1  0.055999  0.609255  0.372935  1
  Cu  Cu37  1  0.187669  0.873017  0.439896  1
  Cu  Cu38  1  0.345581  0.188931  0.456565  1
  Cu  Cu39  1  0.029664  0.556890  0.423013  1
  Cu  Cu40  1  0.503219  0.004317  0.473251  1
  Cu  Cu41  1  0.187726  0.373113  0.439778  1
  Cu  Cu42  1  0.345318  0.688408  0.456483  1
  Cu  Cu43  1  0.003219  0.004317  0.473251  1
  Cu  Cu44  1  0.687726  0.373113  0.439778  1
  Cu  Cu45  1  0.845318  0.688408  0.456483  1
  Cu  Cu46  1  0.687669  0.873017  0.439896  1
  Cu  Cu47  1  0.845581  0.188931  0.456565  1
  Cu  Cu48  1  0.529664  0.556890  0.423013  1
  Cu  Cu49  1  0.660926  0.819831  0.489910  1
  Cu  Cu50  1  0.818677  0.135435  0.506597  1
  Cu  Cu51  1  0.503185  0.504237  0.473171  1
  Cu  Cu52  1  0.976474  0.951133  0.523317  1
  Cu  Cu53  1  0.660982  0.319936  0.489891  1
  Cu  Cu54  1  0.818733  0.635539  0.506578  1
  Cu  Cu55  1  0.476474  0.951133  0.523317  1
  Cu  Cu56  1  0.160982  0.319936  0.489891  1
  Cu  Cu57  1  0.318733  0.635539  0.506578  1
  Cu  Cu58  1  0.160926  0.819831  0.489910  1
  Cu  Cu59  1  0.318677  0.135435  0.506597  1
  Cu  Cu60  1  0.003185  0.504237  0.473171  1
  Cu  Cu61  1  0.134342  0.766962  0.540006  1
  Cu  Cu62  1  0.291933  0.082258  0.556711  1
  Cu  Cu63  1  0.976440  0.451054  0.523237  1
  Cu  Cu64  1  0.449995  0.898480  0.573475  1
  Cu  Cu65  1  0.134079  0.266440  0.539924  1
  Cu  Cu66  1  0.291990  0.582354  0.556592  1
  Cu  Cu67  1  0.949995  0.898480  0.573475  1
  Cu  Cu68  1  0.634079  0.266440  0.539924  1
  Cu  Cu69  1  0.791990  0.582354  0.556592  1
  Cu  Cu70  1  0.634342  0.766962  0.540006  1
  Cu  Cu71  1  0.791933  0.082258  0.556711  1
  Cu  Cu72  1  0.476440  0.451054  0.523237  1
  Cu  Cu73  1  0.607735  0.714047  0.589997  1
  Cu  Cu74  1  0.765520  0.029745  0.607027  1
  Cu  Cu75  1  0.449423  0.397327  0.573215  1
  Cu  Cu76  1  0.923660  0.846116  0.623554  1
  Cu  Cu77  1  0.607204  0.213002  0.590061  1
  Cu  Cu78  1  0.764909  0.528491  0.606399  1
  Cu  Cu79  1  0.423660  0.846116  0.623554  1
  Cu  Cu80  1  0.107204  0.213002  0.590061  1
  Cu  Cu81  1  0.264909  0.528491  0.606399  1
  Cu  Cu82  1  0.107735  0.714047  0.589997  1
  Cu  Cu83  1  0.265520  0.029745  0.607027  1
  Cu  Cu84  1  0.949423  0.397327  0.573215  1
  Cu  Cu85  1  0.080718  0.660320  0.639632  1
  Cu  Cu86  1  0.239222  0.977498  0.657455  1
  Cu  Cu87  1  0.922240  0.343263  0.623289  1
  Cu  Cu88  1  0.396242  0.791623  0.672957  1
  Cu  Cu89  1  0.080581  0.160073  0.640529  1
  Cu  Cu90  1  0.237872  0.474698  0.655982  1
  Cu  Cu91  1  0.896242  0.791623  0.672957  1
  Cu  Cu92  1  0.580581  0.160073  0.640529  1
  Cu  Cu93  1  0.737872  0.474698  0.655982  1
  Cu  Cu94  1  0.580718  0.660320  0.639632  1
  Cu  Cu95  1  0.739222  0.977498  0.657455  1
  Cu  Cu96  1  0.422240  0.343263  0.623289  1
  Cu  Cu97  1  0.552894  0.604876  0.688686  1
  Cu  Cu98  1  0.709748  0.919090  0.706983  1
  Cu  Cu99  1  0.396670  0.292388  0.673573  1
  Cu  Cu100  1  0.864484  0.728231  0.721619  1
  Cu  Cu101  1  0.555504  0.110427  0.691459  1
  Cu  Cu102  1  0.712998  0.424926  0.706264  1
  Cu  Cu103  1  0.364484  0.728231  0.721619  1
  Cu  Cu104  1  0.055504  0.110427  0.691459  1
  Cu  Cu105  1  0.212998  0.424926  0.706264  1
  Cu  Cu106  1  0.052894  0.604876  0.688686  1
  Cu  Cu107  1  0.209748  0.919090  0.706983  1
  Cu  Cu108  1  0.896670  0.292388  0.673573  1
