# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23267409
_cell_length_b   8.33973950
_cell_length_c   46.68278684
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.75684237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu68
_cell_volume   1593.52006707
_cell_formula_units_Z   68
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  0.039230  0.885688  0.279535  1
  Cu  Cu2  1  0.273354  0.369327  0.290709  1
  Cu  Cu3  1  0.491538  0.126906  0.284618  1
  Cu  Cu4  1  0.739219  0.614031  0.296096  1
  Cu  Cu5  1  0.520373  0.856867  0.302474  1
  Cu  Cu6  1  0.762125  0.348657  0.315560  1
  Cu  Cu7  1  0.977836  0.104593  0.309413  1
  Cu  Cu8  1  0.225503  0.593431  0.321402  1
  Cu  Cu9  1  1.006530  0.835895  0.329342  1
  Cu  Cu10  1  0.250892  0.325285  0.341797  1
  Cu  Cu11  1  0.464813  0.079537  0.335246  1
  Cu  Cu12  1  0.710962  0.568899  0.347992  1
  Cu  Cu13  1  0.494561  0.812830  0.354862  1
  Cu  Cu14  1  0.737752  0.301689  0.367944  1
  Cu  Cu15  1  0.954068  0.057843  0.361572  1
  Cu  Cu16  1  0.198938  0.546247  0.374327  1
  Cu  Cu17  1  0.981735  0.789854  0.381442  1
  Cu  Cu18  1  0.225714  0.278873  0.394466  1
  Cu  Cu19  1  0.442499  0.034245  0.387905  1
  Cu  Cu20  1  0.687078  0.522726  0.400923  1
  Cu  Cu21  1  0.469703  0.766814  0.407701  1
  Cu  Cu22  1  0.713753  0.255531  0.420856  1
  Cu  Cu23  1  0.931017  0.011315  0.414342  1
  Cu  Cu24  1  0.175375  0.499836  0.427386  1
  Cu  Cu25  1  0.957833  0.743808  0.434153  1
  Cu  Cu26  1  0.202089  0.232491  0.447303  1
  Cu  Cu27  1  0.419375  0.988117  0.440731  1
  Cu  Cu28  1  0.663679  0.476650  0.453856  1
  Cu  Cu29  1  0.446204  0.720781  0.460551  1
  Cu  Cu30  1  0.690418  0.209344  0.473718  1
  Cu  Cu31  1  0.907801  0.965077  0.467159  1
  Cu  Cu32  1  0.152049  0.453606  0.480301  1
  Cu  Cu33  1  0.934566  0.697723  0.486986  1
  Cu  Cu34  1  0.178821  0.186277  0.500149  1
  Cu  Cu35  1  0.396184  0.941968  0.493573  1
  Cu  Cu36  1  0.640439  0.430522  0.506736  1
  Cu  Cu37  1  0.422955  0.674638  0.513421  1
  Cu  Cu38  1  0.667203  0.163167  0.526562  1
  Cu  Cu39  1  0.884586  0.918901  0.520004  1
  Cu  Cu40  1  0.128800  0.407463  0.533171  1
  Cu  Cu41  1  0.911326  0.651595  0.539866  1
  Cu  Cu42  1  0.155630  0.140127  0.552991  1
  Cu  Cu43  1  0.372915  0.895754  0.546419  1
  Cu  Cu44  1  0.617172  0.384437  0.559568  1
  Cu  Cu45  1  0.399629  0.628409  0.566336  1
  Cu  Cu46  1  0.643987  0.116930  0.579380  1
  Cu  Cu47  1  0.861252  0.872714  0.572866  1
  Cu  Cu48  1  0.105301  0.361431  0.586021  1
  Cu  Cu49  1  0.887926  0.605518  0.592799  1
  Cu  Cu50  1  0.132505  0.094000  0.605817  1
  Cu  Cu51  1  0.349290  0.849371  0.599256  1
  Cu  Cu52  1  0.593270  0.338390  0.612280  1
  Cu  Cu53  1  0.376067  0.581998  0.619395  1
  Cu  Cu54  1  0.620936  0.070402  0.632149  1
  Cu  Cu55  1  0.837252  0.826556  0.625778  1
  Cu  Cu56  1  0.080443  0.315414  0.638860  1
  Cu  Cu57  1  0.864043  0.559346  0.645729  1
  Cu  Cu58  1  0.110191  0.048708  0.658476  1
  Cu  Cu59  1  0.324113  0.802960  0.651924  1
  Cu  Cu60  1  0.568474  0.292349  0.664379  1
  Cu  Cu61  1  0.349502  0.534814  0.672320  1
  Cu  Cu62  1  0.597168  0.023651  0.684309  1
  Cu  Cu63  1  0.812879  0.779588  0.678162  1
  Cu  Cu64  1  0.054632  0.271378  0.691248  1
  Cu  Cu65  1  0.835785  0.514214  0.697626  1
  Cu  Cu66  1  0.083467  1.001338  0.709104  1
  Cu  Cu67  1  0.301651  0.758917  0.703013  1
  Cu  Cu68  1  0.535775  0.242557  0.714186  1
