# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55128368
_cell_length_b   16.96956606
_cell_length_c   48.69107597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.66941905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2102.02154427
_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  0.901415  0.143020  0.287005  1
  Cu  Cu2  1  0.655374  0.634400  0.307806  1
  Cu  Cu3  1  0.342594  0.260328  0.306378  1
  Cu  Cu4  1  0.588494  0.768317  0.284812  1
  Cu  Cu5  1  0.025002  0.894775  0.275897  1
  Cu  Cu6  1  0.778320  0.388626  0.297548  1
  Cu  Cu7  1  0.968192  0.008761  0.308951  1
  Cu  Cu8  1  0.214492  0.516198  0.288805  1
  Cu  Cu9  1  0.410022  0.125415  0.330785  1
  Cu  Cu10  1  0.164068  0.617064  0.353049  1
  Cu  Cu11  1  0.851370  0.242727  0.351338  1
  Cu  Cu12  1  0.097052  0.751110  0.329122  1
  Cu  Cu13  1  0.532546  0.879963  0.319785  1
  Cu  Cu14  1  0.286950  0.371415  0.341894  1
  Cu  Cu15  1  0.476762  0.991665  0.354638  1
  Cu  Cu16  1  0.722620  0.499977  0.332563  1
  Cu  Cu17  1  0.918387  0.108541  0.376087  1
  Cu  Cu18  1  0.672597  0.600030  0.398831  1
  Cu  Cu19  1  0.359888  0.225605  0.397175  1
  Cu  Cu20  1  0.605666  0.733893  0.374604  1
  Cu  Cu21  1  0.041186  0.862800  0.364969  1
  Cu  Cu22  1  0.795556  0.354176  0.387411  1
  Cu  Cu23  1  0.985357  0.974478  0.400388  1
  Cu  Cu24  1  0.231133  0.482941  0.377804  1
  Cu  Cu25  1  0.426883  0.091499  0.421664  1
  Cu  Cu26  1  0.181203  0.582825  0.444505  1
  Cu  Cu27  1  0.868428  0.208472  0.442902  1
  Cu  Cu28  1  0.114167  0.716921  0.420253  1
  Cu  Cu29  1  0.549795  0.845625  0.410423  1
  Cu  Cu30  1  0.304078  0.337104  0.433029  1
  Cu  Cu31  1  0.493937  0.957316  0.446010  1
  Cu  Cu32  1  0.739691  0.465815  0.423264  1
  Cu  Cu33  1  0.935457  0.074329  0.467270  1
  Cu  Cu34  1  0.689793  0.565642  0.490146  1
  Cu  Cu35  1  0.376997  0.191303  0.488556  1
  Cu  Cu36  1  0.622749  0.699772  0.465877  1
  Cu  Cu37  1  0.058356  0.828516  0.455971  1
  Cu  Cu38  1  0.812629  0.319981  0.478675  1
  Cu  Cu39  1  1.002528  0.940132  0.491603  1
  Cu  Cu40  1  0.248257  0.448667  0.468826  1
  Cu  Cu41  1  0.444050  0.057131  0.512883  1
  Cu  Cu42  1  0.198375  0.548470  0.535777  1
  Cu  Cu43  1  0.885575  0.174128  0.534160  1
  Cu  Cu44  1  0.131333  0.682607  0.511500  1
  Cu  Cu45  1  0.566942  0.811347  0.501562  1
  Cu  Cu46  1  0.321194  0.302832  0.524324  1
  Cu  Cu47  1  0.511130  0.922929  0.537193  1
  Cu  Cu48  1  0.756827  0.431510  0.514446  1
  Cu  Cu49  1  0.952663  0.039901  0.558494  1
  Cu  Cu50  1  0.706943  0.531317  0.581390  1
  Cu  Cu51  1  0.394164  0.156934  0.579698  1
  Cu  Cu52  1  0.639908  0.665456  0.557124  1
  Cu  Cu53  1  0.075537  0.794156  0.547182  1
  Cu  Cu54  1  0.829755  0.285688  0.569959  1
  Cu  Cu55  1  0.019752  0.905699  0.582780  1
  Cu  Cu56  1  0.265398  0.414338  0.560106  1
  Cu  Cu57  1  0.461314  0.022602  0.604117  1
  Cu  Cu58  1  0.215381  0.514393  0.626953  1
  Cu  Cu59  1  0.902782  0.139685  0.625135  1
  Cu  Cu60  1  0.148449  0.648375  0.602747  1
  Cu  Cu61  1  0.584140  0.776959  0.592852  1
  Cu  Cu62  1  0.338332  0.268505  0.615555  1
  Cu  Cu63  1  0.528377  0.888483  0.628366  1
  Cu  Cu64  1  0.773939  0.397199  0.605830  1
  Cu  Cu65  1  0.969894  0.005462  0.649828  1
  Cu  Cu66  1  0.724056  0.496883  0.671999  1
  Cu  Cu67  1  0.411374  0.122489  0.670361  1
  Cu  Cu68  1  0.656869  0.631551  0.648338  1
  Cu  Cu69  1  0.092843  0.759579  0.638606  1
  Cu  Cu70  1  0.847024  0.251086  0.661075  1
  Cu  Cu71  1  0.037057  0.871180  0.673549  1
  Cu  Cu72  1  0.282614  0.379749  0.651623  1
  Cu  Cu73  1  0.478720  0.987857  0.695024  1
  Cu  Cu74  1  0.232248  0.480050  0.715680  1
  Cu  Cu75  1  0.919573  0.106118  0.714091  1
  Cu  Cu76  1  0.166074  0.613248  0.692958  1
  Cu  Cu77  1  0.601503  0.742316  0.684022  1
  Cu  Cu78  1  0.355671  0.233831  0.705408  1
  Cu  Cu79  1  0.545309  0.854756  0.717358  1
  Cu  Cu80  1  0.791335  0.362238  0.696596  1
