# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55133588
_cell_length_b   16.96960050
_cell_length_c   48.68994647
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.33057215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2102.02008568
_cell_formula_units_Z   80
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  0.043809  0.143020  0.287014  1
  Cu  Cu2  1  0.289846  0.634400  0.307816  1
  Cu  Cu3  1  0.602630  0.260329  0.306387  1
  Cu  Cu4  1  0.356727  0.768318  0.284821  1
  Cu  Cu5  1  0.920217  0.894775  0.275906  1
  Cu  Cu6  1  0.166902  0.388626  0.297557  1
  Cu  Cu7  1  0.977031  0.008761  0.308962  1
  Cu  Cu8  1  0.730732  0.516198  0.288815  1
  Cu  Cu9  1  0.535201  0.125415  0.330795  1
  Cu  Cu10  1  0.781154  0.617065  0.353059  1
  Cu  Cu11  1  0.093853  0.242727  0.351347  1
  Cu  Cu12  1  0.848168  0.751110  0.329131  1
  Cu  Cu13  1  0.412676  0.879963  0.319795  1
  Cu  Cu14  1  0.658272  0.371415  0.341904  1
  Cu  Cu15  1  0.468461  0.991665  0.354650  1
  Cu  Cu16  1  0.222606  0.499977  0.332574  1
  Cu  Cu17  1  0.026835  0.108542  0.376097  1
  Cu  Cu18  1  0.272626  0.600030  0.398842  1
  Cu  Cu19  1  0.585334  0.225606  0.397185  1
  Cu  Cu20  1  0.339554  0.733894  0.374613  1
  Cu  Cu21  1  0.904036  0.862801  0.364980  1
  Cu  Cu22  1  0.149667  0.354176  0.387422  1
  Cu  Cu23  1  0.959864  0.974478  0.400399  1
  Cu  Cu24  1  0.714090  0.482941  0.377816  1
  Cu  Cu25  1  0.518340  0.091499  0.421674  1
  Cu  Cu26  1  0.764022  0.582826  0.444516  1
  Cu  Cu27  1  0.076796  0.208473  0.442912  1
  Cu  Cu28  1  0.831053  0.716922  0.420263  1
  Cu  Cu29  1  0.395427  0.845625  0.410434  1
  Cu  Cu30  1  0.641145  0.337105  0.433040  1
  Cu  Cu31  1  0.451282  0.957316  0.446022  1
  Cu  Cu32  1  0.205533  0.465815  0.423276  1
  Cu  Cu33  1  0.009765  0.074329  0.467282  1
  Cu  Cu34  1  0.255432  0.565642  0.490157  1
  Cu  Cu35  1  0.568226  0.191304  0.488567  1
  Cu  Cu36  1  0.322472  0.699773  0.465887  1
  Cu  Cu37  1  0.886865  0.828516  0.455982  1
  Cu  Cu38  1  0.132594  0.319981  0.478687  1
  Cu  Cu39  1  0.942691  0.940131  0.491615  1
  Cu  Cu40  1  0.696967  0.448668  0.468838  1
  Cu  Cu41  1  0.501171  0.057131  0.512895  1
  Cu  Cu42  1  0.746850  0.548470  0.535789  1
  Cu  Cu43  1  0.059648  0.174129  0.534170  1
  Cu  Cu44  1  0.813888  0.682608  0.511510  1
  Cu  Cu45  1  0.378281  0.811347  0.501573  1
  Cu  Cu46  1  0.624029  0.302833  0.524335  1
  Cu  Cu47  1  0.434089  0.922929  0.537206  1
  Cu  Cu48  1  0.188396  0.431510  0.514458  1
  Cu  Cu49  1  0.992559  0.039902  0.558506  1
  Cu  Cu50  1  0.238281  0.531318  0.581402  1
  Cu  Cu51  1  0.551059  0.156935  0.579709  1
  Cu  Cu52  1  0.305314  0.665457  0.557135  1
  Cu  Cu53  1  0.869684  0.794157  0.547194  1
  Cu  Cu54  1  0.115468  0.285689  0.569971  1
  Cu  Cu55  1  0.925470  0.905700  0.582793  1
  Cu  Cu56  1  0.679825  0.414339  0.560119  1
  Cu  Cu57  1  0.483908  0.022603  0.604129  1
  Cu  Cu58  1  0.729842  0.514394  0.626966  1
  Cu  Cu59  1  0.042441  0.139686  0.625146  1
  Cu  Cu60  1  0.796773  0.648376  0.602759  1
  Cu  Cu61  1  0.361082  0.776960  0.592864  1
  Cu  Cu62  1  0.606891  0.268506  0.615568  1
  Cu  Cu63  1  0.416848  0.888483  0.628380  1
  Cu  Cu64  1  0.171283  0.397200  0.605843  1
  Cu  Cu65  1  0.975330  0.005464  0.649841  1
  Cu  Cu66  1  0.221166  0.496885  0.672012  1
  Cu  Cu67  1  0.533848  0.122491  0.670373  1
  Cu  Cu68  1  0.288354  0.631553  0.648350  1
  Cu  Cu69  1  0.852380  0.759580  0.638618  1
  Cu  Cu70  1  0.098200  0.251087  0.661088  1
  Cu  Cu71  1  0.908167  0.871181  0.673563  1
  Cu  Cu72  1  0.662606  0.379750  0.651637  1
  Cu  Cu73  1  0.466504  0.987859  0.695037  1
  Cu  Cu74  1  0.712968  0.480051  0.715693  1
  Cu  Cu75  1  0.025651  0.106120  0.714104  1
  Cu  Cu76  1  0.779151  0.613250  0.692970  1
  Cu  Cu77  1  0.343721  0.742318  0.684035  1
  Cu  Cu78  1  0.589552  0.233832  0.705422  1
  Cu  Cu79  1  0.399914  0.854757  0.717373  1
  Cu  Cu80  1  0.153883  0.362239  0.696611  1
