# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55379223
_cell_length_b   18.07191730
_cell_length_c   47.68595900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.93889003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2195.27263764
_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  0.502071  0.440393  0.296682  1
  Cu  Cu2  1  0.761634  0.920936  0.316390  1
  Cu  Cu3  1  0.954379  0.535670  0.325412  1
  Cu  Cu4  1  0.692826  0.058753  0.305110  1
  Cu  Cu5  1  0.131546  0.181119  0.306710  1
  Cu  Cu6  1  0.870086  0.704153  0.285918  1
  Cu  Cu7  1  0.569959  0.304200  0.308207  1
  Cu  Cu8  1  0.309262  0.825669  0.287648  1
  Cu  Cu9  1  0.023670  0.397004  0.338621  1
  Cu  Cu10  1  0.284523  0.875201  0.359652  1
  Cu  Cu11  1  0.477051  0.490306  0.368817  1
  Cu  Cu12  1  0.215776  0.012784  0.347507  1
  Cu  Cu13  1  0.654125  0.135989  0.349220  1
  Cu  Cu14  1  0.393007  0.658304  0.327768  1
  Cu  Cu15  1  0.092618  0.258948  0.350806  1
  Cu  Cu16  1  0.831260  0.781695  0.329531  1
  Cu  Cu17  1  0.546142  0.351995  0.381814  1
  Cu  Cu18  1  0.807260  0.829736  0.403481  1
  Cu  Cu19  1  0.999698  0.444966  0.412779  1
  Cu  Cu20  1  0.738445  0.967428  0.391056  1
  Cu  Cu21  1  0.176735  0.090778  0.392773  1
  Cu  Cu22  1  0.915567  0.613168  0.370829  1
  Cu  Cu23  1  0.615035  0.214117  0.394390  1
  Cu  Cu24  1  0.353814  0.736584  0.372700  1
  Cu  Cu25  1  0.068629  0.306996  0.425469  1
  Cu  Cu26  1  0.329954  0.784343  0.447182  1
  Cu  Cu27  1  0.522346  0.399638  0.456612  1
  Cu  Cu28  1  0.261037  0.922240  0.434765  1
  Cu  Cu29  1  0.699336  0.045574  0.436364  1
  Cu  Cu30  1  0.438062  0.568153  0.414401  1
  Cu  Cu31  1  0.137600  0.168978  0.437972  1
  Cu  Cu32  1  0.876350  0.691497  0.416131  1
  Cu  Cu33  1  0.591261  0.261719  0.469125  1
  Cu  Cu34  1  0.852614  0.739016  0.490843  1
  Cu  Cu35  1  0.045010  0.354290  0.500354  1
  Cu  Cu36  1  0.783669  0.876972  0.478410  1
  Cu  Cu37  1  0.221935  1.000368  0.479992  1
  Cu  Cu38  1  0.960652  0.522950  0.458094  1
  Cu  Cu39  1  0.660198  0.123769  0.481575  1
  Cu  Cu40  1  0.398940  0.646304  0.459688  1
  Cu  Cu41  1  0.113909  0.216411  0.512801  1
  Cu  Cu42  1  0.375265  0.693702  0.534483  1
  Cu  Cu43  1  0.567650  0.308991  0.544044  1
  Cu  Cu44  1  0.306285  0.831732  0.522019  1
  Cu  Cu45  1  0.744542  0.955146  0.523622  1
  Cu  Cu46  1  0.483297  0.477645  0.501832  1
  Cu  Cu47  1  0.182812  0.078530  0.525207  1
  Cu  Cu48  1  0.921569  0.601029  0.503324  1
  Cu  Cu49  1  0.636561  0.171092  0.556496  1
  Cu  Cu50  1  0.897917  0.648386  0.578090  1
  Cu  Cu51  1  0.090237  0.263801  0.587667  1
  Cu  Cu52  1  0.828889  0.786514  0.565591  1
  Cu  Cu53  1  0.267129  0.909962  0.567231  1
  Cu  Cu54  1  0.005958  0.432303  0.545589  1
  Cu  Cu55  1  0.705421  0.033306  0.568869  1
  Cu  Cu56  1  0.444239  0.555673  0.547017  1
  Cu  Cu57  1  0.159202  0.125800  0.600248  1
  Cu  Cu58  1  0.420440  0.603322  0.621685  1
  Cu  Cu59  1  0.612618  0.219016  0.631144  1
  Cu  Cu60  1  0.351502  0.741284  0.609134  1
  Cu  Cu61  1  0.789771  0.864675  0.610776  1
  Cu  Cu62  1  0.528613  0.386972  0.589360  1
  Cu  Cu63  1  0.227995  0.988150  0.612569  1
  Cu  Cu64  1  0.966916  0.510294  0.590803  1
  Cu  Cu65  1  0.681861  0.080477  0.644073  1
  Cu  Cu66  1  0.942956  0.558238  0.664808  1
  Cu  Cu67  1  0.135024  0.174194  0.673869  1
  Cu  Cu68  1  0.873985  0.696322  0.652687  1
  Cu  Cu69  1  0.312490  0.819245  0.654308  1
  Cu  Cu70  1  0.051198  0.341785  0.633121  1
  Cu  Cu71  1  0.750849  0.942423  0.656007  1
  Cu  Cu72  1  0.489641  0.464820  0.634693  1
  Cu  Cu73  1  0.205047  0.034118  0.686962  1
  Cu  Cu74  1  0.464594  0.514796  0.706647  1
  Cu  Cu75  1  0.657961  0.128263  0.714797  1
  Cu  Cu76  1  0.396692  0.650974  0.695262  1
  Cu  Cu77  1  0.835113  0.774030  0.696810  1
  Cu  Cu78  1  0.573909  0.296388  0.676030  1
  Cu  Cu79  1  0.273847  0.896368  0.698410  1
  Cu  Cu80  1  0.012251  0.419610  0.677786  1
