# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54341307
_cell_length_b   16.80492866
_cell_length_c   48.35540086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.65508685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2060.86063081
_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  0.023346  0.895946  0.276487  1
  Cu  Cu2  1  0.777428  0.387593  0.297644  1
  Cu  Cu3  1  0.464537  0.013480  0.295605  1
  Cu  Cu4  1  0.218579  0.505275  0.317834  1
  Cu  Cu5  1  0.900193  0.142102  0.286491  1
  Cu  Cu6  1  0.654152  0.634107  0.308667  1
  Cu  Cu7  1  0.336140  0.270174  0.277988  1
  Cu  Cu8  1  0.089801  0.762817  0.299124  1
  Cu  Cu9  1  0.531687  0.879166  0.320705  1
  Cu  Cu10  1  0.285801  0.370854  0.342494  1
  Cu  Cu11  1  0.973040  0.996452  0.340801  1
  Cu  Cu12  1  0.727281  0.487891  0.363150  1
  Cu  Cu13  1  0.408758  0.124976  0.331327  1
  Cu  Cu14  1  0.163050  0.616339  0.353647  1
  Cu  Cu15  1  0.844497  0.253468  0.322212  1
  Cu  Cu16  1  0.598867  0.744704  0.344189  1
  Cu  Cu17  1  0.040416  0.861665  0.365665  1
  Cu  Cu18  1  0.794423  0.353616  0.388011  1
  Cu  Cu19  1  0.481797  0.978917  0.386450  1
  Cu  Cu20  1  0.235974  0.470515  0.408903  1
  Cu  Cu21  1  0.917459  0.107566  0.376823  1
  Cu  Cu22  1  0.671736  0.598980  0.399228  1
  Cu  Cu23  1  0.353067  0.236329  0.367357  1
  Cu  Cu24  1  0.107466  0.727511  0.389742  1
  Cu  Cu25  1  0.548953  0.844573  0.411073  1
  Cu  Cu26  1  0.303125  0.336216  0.433591  1
  Cu  Cu27  1  0.990407  0.961682  0.432073  1
  Cu  Cu28  1  0.744637  0.453197  0.454556  1
  Cu  Cu29  1  0.426076  0.090327  0.422383  1
  Cu  Cu30  1  0.180333  0.581792  0.444855  1
  Cu  Cu31  1  0.861694  0.219072  0.412748  1
  Cu  Cu32  1  0.616043  0.710361  0.435309  1
  Cu  Cu33  1  0.057536  0.827400  0.456577  1
  Cu  Cu34  1  0.811793  0.318879  0.479176  1
  Cu  Cu35  1  0.499020  0.944449  0.477671  1
  Cu  Cu36  1  0.253273  0.435927  0.500142  1
  Cu  Cu37  1  0.934687  0.073101  0.467965  1
  Cu  Cu38  1  0.688932  0.564596  0.490450  1
  Cu  Cu39  1  0.370328  0.201804  0.458243  1
  Cu  Cu40  1  0.124620  0.693208  0.480876  1
  Cu  Cu41  1  0.566128  0.810215  0.502137  1
  Cu  Cu42  1  0.320446  0.301572  0.524759  1
  Cu  Cu43  1  0.007628  0.927232  0.523261  1
  Cu  Cu44  1  0.761889  0.418695  0.545669  1
  Cu  Cu45  1  0.443302  0.055870  0.513563  1
  Cu  Cu46  1  0.197520  0.547420  0.536011  1
  Cu  Cu47  1  0.878962  0.184535  0.503801  1
  Cu  Cu48  1  0.633196  0.676055  0.526445  1
  Cu  Cu49  1  0.074723  0.793025  0.547743  1
  Cu  Cu50  1  0.829099  0.284266  0.570336  1
  Cu  Cu51  1  0.516225  0.910036  0.568834  1
  Cu  Cu52  1  0.270491  0.401489  0.591123  1
  Cu  Cu53  1  0.951910  0.038654  0.559179  1
  Cu  Cu54  1  0.706084  0.530286  0.581534  1
  Cu  Cu55  1  0.387601  0.167257  0.549407  1
  Cu  Cu56  1  0.141758  0.658926  0.572009  1
  Cu  Cu57  1  0.583325  0.775825  0.593413  1
  Cu  Cu58  1  0.337741  0.266981  0.615909  1
  Cu  Cu59  1  0.024823  0.892841  0.614350  1
  Cu  Cu60  1  0.779029  0.384407  0.636485  1
  Cu  Cu61  1  0.460492  0.021492  0.604808  1
  Cu  Cu62  1  0.214655  0.513136  0.627003  1
  Cu  Cu63  1  0.896237  0.149987  0.595074  1
  Cu  Cu64  1  0.650264  0.641902  0.617566  1
  Cu  Cu65  1  0.091926  0.758630  0.639208  1
  Cu  Cu66  1  0.846228  0.250008  0.661423  1
  Cu  Cu67  1  0.533368  0.875756  0.659644  1
  Cu  Cu68  1  0.287422  0.367616  0.681601  1
  Cu  Cu69  1  0.969110  0.004265  0.650361  1
  Cu  Cu70  1  0.723158  0.496112  0.672431  1
  Cu  Cu71  1  0.404849  0.132771  0.640833  1
  Cu  Cu72  1  0.159023  0.624346  0.662925  1
  Cu  Cu73  1  0.600784  0.740928  0.684640  1
  Cu  Cu74  1  0.354390  0.233687  0.706288  1
  Cu  Cu75  1  0.041868  0.858771  0.703995  1
  Cu  Cu76  1  0.795537  0.351383  0.725826  1
  Cu  Cu77  1  0.477757  0.986991  0.695234  1
  Cu  Cu78  1  0.231516  0.479374  0.717139  1
  Cu  Cu79  1  0.913347  0.115788  0.686149  1
  Cu  Cu80  1  0.667348  0.607604  0.707805  1
