# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54764563
_cell_length_b   17.93804907
_cell_length_c   47.43129410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.06953366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2162.13503673
_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  0.940270  0.439616  0.295266  1
  Cu  Cu2  1  0.679154  0.917485  0.315777  1
  Cu  Cu3  1  0.487632  0.534370  0.324751  1
  Cu  Cu4  1  0.747852  0.054806  0.304039  1
  Cu  Cu5  1  0.309776  0.178718  0.305532  1
  Cu  Cu6  1  0.569049  0.697242  0.285795  1
  Cu  Cu7  1  0.871890  0.302969  0.306819  1
  Cu  Cu8  1  0.130671  0.820523  0.286486  1
  Cu  Cu9  1  0.418182  0.395487  0.338229  1
  Cu  Cu10  1  0.156931  0.873031  0.359808  1
  Cu  Cu11  1  0.964742  0.488597  0.368643  1
  Cu  Cu12  1  0.225588  0.010306  0.347390  1
  Cu  Cu13  1  0.787272  0.133705  0.348805  1
  Cu  Cu14  1  0.048552  0.656248  0.328536  1
  Cu  Cu15  1  0.349064  0.257311  0.350268  1
  Cu  Cu16  1  0.610093  0.779362  0.329718  1
  Cu  Cu17  1  0.895422  0.349985  0.381527  1
  Cu  Cu18  1  0.634267  0.827697  0.403578  1
  Cu  Cu19  1  0.441874  0.442869  0.412374  1
  Cu  Cu20  1  0.703169  0.965478  0.390971  1
  Cu  Cu21  1  0.264810  0.088782  0.392435  1
  Cu  Cu22  1  0.525847  0.610841  0.371384  1
  Cu  Cu23  1  0.826445  0.212072  0.393926  1
  Cu  Cu24  1  0.087696  0.734565  0.373174  1
  Cu  Cu25  1  0.372801  0.304754  0.425048  1
  Cu  Cu26  1  0.111460  0.782080  0.447126  1
  Cu  Cu27  1  0.919179  0.397486  0.456036  1
  Cu  Cu28  1  0.180556  0.920254  0.434538  1
  Cu  Cu29  1  0.742210  0.043581  0.436035  1
  Cu  Cu30  1  0.003231  0.565613  0.414635  1
  Cu  Cu31  1  0.303838  0.166858  0.437566  1
  Cu  Cu32  1  0.564933  0.689040  0.416470  1
  Cu  Cu33  1  0.850170  0.259496  0.468623  1
  Cu  Cu34  1  0.588703  0.736566  0.490643  1
  Cu  Cu35  1  0.396535  0.352205  0.499632  1
  Cu  Cu36  1  0.657814  0.874768  0.478053  1
  Cu  Cu37  1  0.219505  0.998171  0.479598  1
  Cu  Cu38  1  0.480600  0.520354  0.458061  1
  Cu  Cu39  1  0.781163  0.121507  0.481160  1
  Cu  Cu40  1  0.042230  0.643636  0.459856  1
  Cu  Cu41  1  0.327495  0.214151  0.512186  1
  Cu  Cu42  1  0.065995  0.691151  0.534165  1
  Cu  Cu43  1  0.873914  0.306966  0.543135  1
  Cu  Cu44  1  0.135063  0.829265  0.521578  1
  Cu  Cu45  1  0.696753  0.952666  0.523126  1
  Cu  Cu46  1  0.957964  0.475087  0.501605  1
  Cu  Cu47  1  0.258441  0.076063  0.524706  1
  Cu  Cu48  1  0.519552  0.598286  0.503323  1
  Cu  Cu49  1  0.804777  0.168714  0.555718  1
  Cu  Cu50  1  0.543352  0.645869  0.577692  1
  Cu  Cu51  1  0.351325  0.261794  0.586488  1
  Cu  Cu52  1  0.612341  0.783819  0.565148  1
  Cu  Cu53  1  0.173973  0.907106  0.566651  1
  Cu  Cu54  1  0.435305  0.429774  0.545226  1
  Cu  Cu55  1  0.735679  0.030537  0.568203  1
  Cu  Cu56  1  0.996889  0.552965  0.546864  1
  Cu  Cu57  1  0.281971  0.123100  0.599218  1
  Cu  Cu58  1  0.020773  0.600721  0.621167  1
  Cu  Cu59  1  0.828783  0.216713  0.629542  1
  Cu  Cu60  1  0.089709  0.738556  0.608772  1
  Cu  Cu61  1  0.651284  0.861726  0.610262  1
  Cu  Cu62  1  0.912588  0.384343  0.588914  1
  Cu  Cu63  1  0.212842  0.984864  0.611650  1
  Cu  Cu64  1  0.474211  0.507615  0.590457  1
  Cu  Cu65  1  0.758913  0.076979  0.642689  1
  Cu  Cu66  1  0.498111  0.555414  0.664409  1
  Cu  Cu67  1  0.305971  0.171091  0.671952  1
  Cu  Cu68  1  0.567158  0.693451  0.652424  1
  Cu  Cu69  1  0.128887  0.816932  0.653908  1
  Cu  Cu70  1  0.389778  0.338727  0.632735  1
  Cu  Cu71  1  0.690503  0.940200  0.655312  1
  Cu  Cu72  1  0.951407  0.462012  0.634066  1
  Cu  Cu73  1  0.237068  0.033288  0.686885  1
  Cu  Cu74  1  0.976048  0.511327  0.707319  1
  Cu  Cu75  1  0.786779  0.132718  0.714389  1
  Cu  Cu76  1  0.044382  0.647891  0.695871  1
  Cu  Cu77  1  0.606459  0.772072  0.697191  1
  Cu  Cu78  1  0.866659  0.292483  0.676464  1
  Cu  Cu79  1  0.168361  0.895939  0.698677  1
  Cu  Cu80  1  0.428724  0.416648  0.677683  1
