# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54752592
_cell_length_b   16.76339365
_cell_length_c   48.38533092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.64550544
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2060.33960354
_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  0.899906  0.140977  0.285561  1
  Cu  Cu2  1  0.653678  0.633472  0.307817  1
  Cu  Cu3  1  0.463871  0.013007  0.295312  1
  Cu  Cu4  1  0.217866  0.505084  0.317571  1
  Cu  Cu5  1  0.022361  0.895966  0.275974  1
  Cu  Cu6  1  0.776188  0.388433  0.296845  1
  Cu  Cu7  1  0.335338  0.270131  0.276994  1
  Cu  Cu8  1  0.089035  0.762752  0.298299  1
  Cu  Cu9  1  0.407980  0.124823  0.331149  1
  Cu  Cu10  1  0.162276  0.616258  0.353562  1
  Cu  Cu11  1  0.972266  0.996228  0.340776  1
  Cu  Cu12  1  0.726685  0.487432  0.363071  1
  Cu  Cu13  1  0.530883  0.878984  0.320807  1
  Cu  Cu14  1  0.285329  0.370145  0.342346  1
  Cu  Cu15  1  0.843834  0.253130  0.321850  1
  Cu  Cu16  1  0.598205  0.744396  0.344060  1
  Cu  Cu17  1  0.916799  0.107184  0.376618  1
  Cu  Cu18  1  0.671163  0.598473  0.399047  1
  Cu  Cu19  1  0.481136  0.978497  0.386266  1
  Cu  Cu20  1  0.235416  0.469961  0.408668  1
  Cu  Cu21  1  0.039798  0.861177  0.365596  1
  Cu  Cu22  1  0.793855  0.353084  0.387808  1
  Cu  Cu23  1  0.352448  0.235898  0.367085  1
  Cu  Cu24  1  0.106895  0.727010  0.389625  1
  Cu  Cu25  1  0.425476  0.089830  0.422132  1
  Cu  Cu26  1  0.179831  0.581132  0.444596  1
  Cu  Cu27  1  0.989809  0.961155  0.431765  1
  Cu  Cu28  1  0.744126  0.452535  0.454223  1
  Cu  Cu29  1  0.548395  0.843991  0.410891  1
  Cu  Cu30  1  0.302594  0.335602  0.433329  1
  Cu  Cu31  1  0.861122  0.218548  0.412503  1
  Cu  Cu32  1  0.615551  0.709695  0.435142  1
  Cu  Cu33  1  0.934150  0.072482  0.467647  1
  Cu  Cu34  1  0.688486  0.563817  0.490113  1
  Cu  Cu35  1  0.498476  0.943822  0.477259  1
  Cu  Cu36  1  0.252817  0.435149  0.499736  1
  Cu  Cu37  1  0.057023  0.826737  0.456294  1
  Cu  Cu38  1  0.811315  0.318157  0.478851  1
  Cu  Cu39  1  0.369815  0.201159  0.457981  1
  Cu  Cu40  1  0.124180  0.692434  0.480637  1
  Cu  Cu41  1  0.442822  0.055136  0.513172  1
  Cu  Cu42  1  0.197136  0.546514  0.535598  1
  Cu  Cu43  1  0.007132  0.926509  0.522760  1
  Cu  Cu44  1  0.761497  0.417787  0.545213  1
  Cu  Cu45  1  0.565655  0.809472  0.501749  1
  Cu  Cu46  1  0.320025  0.300734  0.524372  1
  Cu  Cu47  1  0.878509  0.183769  0.503492  1
  Cu  Cu48  1  0.632809  0.675174  0.526119  1
  Cu  Cu49  1  0.951481  0.037815  0.558713  1
  Cu  Cu50  1  0.705776  0.529235  0.581053  1
  Cu  Cu51  1  0.515780  0.909211  0.568261  1
  Cu  Cu52  1  0.270168  0.400443  0.590648  1
  Cu  Cu53  1  0.074291  0.792198  0.547237  1
  Cu  Cu54  1  0.828733  0.283315  0.569892  1
  Cu  Cu55  1  0.387200  0.166383  0.549032  1
  Cu  Cu56  1  0.141435  0.657921  0.571585  1
  Cu  Cu57  1  0.460124  0.020523  0.604267  1
  Cu  Cu58  1  0.214446  0.511898  0.626474  1
  Cu  Cu59  1  0.024462  0.891843  0.613736  1
  Cu  Cu60  1  0.778730  0.383318  0.636040  1
  Cu  Cu61  1  0.582937  0.774901  0.592764  1
  Cu  Cu62  1  0.337408  0.265962  0.615416  1
  Cu  Cu63  1  0.895879  0.149021  0.594616  1
  Cu  Cu64  1  0.650032  0.640730  0.617028  1
  Cu  Cu65  1  0.968929  0.002908  0.649723  1
  Cu  Cu66  1  0.722886  0.495022  0.671913  1
  Cu  Cu67  1  0.533071  0.874620  0.659058  1
  Cu  Cu68  1  0.287088  0.366603  0.681201  1
  Cu  Cu69  1  0.091596  0.757579  0.638353  1
  Cu  Cu70  1  0.845793  0.249188  0.660888  1
  Cu  Cu71  1  0.404519  0.131735  0.640246  1
  Cu  Cu72  1  0.159058  0.622693  0.662246  1
  Cu  Cu73  1  0.477646  0.985458  0.695330  1
  Cu  Cu74  1  0.230642  0.479520  0.717105  1
  Cu  Cu75  1  0.042494  0.855766  0.704235  1
  Cu  Cu76  1  0.795168  0.350440  0.726039  1
  Cu  Cu77  1  0.600699  0.739357  0.683843  1
  Cu  Cu78  1  0.354594  0.231581  0.706381  1
  Cu  Cu79  1  0.913244  0.114274  0.685789  1
  Cu  Cu80  1  0.666029  0.608815  0.707937  1
