# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13848287
_cell_length_b   8.75655854
_cell_length_c   48.40221364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.07903362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu66
_cell_volume   1709.62808595
_cell_formula_units_Z   66
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  0.137351  0.882175  0.277153  1
  Cu  Cu2  1  -0.004867  0.182825  0.290412  1
  Cu  Cu3  1  0.855695  0.489088  0.303275  1
  Cu  Cu4  1  0.718502  0.722767  0.271523  1
  Cu  Cu5  1  0.568340  0.027932  0.284116  1
  Cu  Cu6  1  0.424893  0.333985  0.296486  1
  Cu  Cu7  1  0.724495  0.807834  0.317457  1
  Cu  Cu8  1  0.592082  0.122796  0.330843  1
  Cu  Cu9  1  0.449601  0.436956  0.343146  1
  Cu  Cu10  1  0.282611  0.647652  0.306404  1
  Cu  Cu11  1  0.158273  0.967397  0.323897  1
  Cu  Cu12  1  0.022844  0.278772  0.337613  1
  Cu  Cu13  1  0.304441  0.746229  0.356515  1
  Cu  Cu14  1  0.154097  0.063434  0.372128  1
  Cu  Cu15  1  0.001407  0.376270  0.386241  1
  Cu  Cu16  1  0.881278  0.589511  0.351110  1
  Cu  Cu17  1  0.729972  0.904420  0.365339  1
  Cu  Cu18  1  0.577330  0.221422  0.378788  1
  Cu  Cu19  1  0.846588  0.688572  0.399997  1
  Cu  Cu20  1  0.689645  1.003811  0.413781  1
  Cu  Cu21  1  0.534066  0.318469  0.427481  1
  Cu  Cu22  1  0.423486  0.533897  0.392039  1
  Cu  Cu23  1  0.268277  0.845926  0.406076  1
  Cu  Cu24  1  0.111913  0.160739  0.420847  1
  Cu  Cu25  1  0.379915  0.631377  0.441180  1
  Cu  Cu26  1  0.225624  0.944404  0.455241  1
  Cu  Cu27  1  0.070660  0.258605  0.469514  1
  Cu  Cu28  1  0.957288  0.474228  0.434892  1
  Cu  Cu29  1  0.802855  0.787730  0.448658  1
  Cu  Cu30  1  0.647967  0.101809  0.462504  1
  Cu  Cu31  1  0.915688  0.572636  0.483563  1
  Cu  Cu32  1  0.760893  0.886015  0.497491  1
  Cu  Cu33  1  0.606119  0.199494  0.511341  1
  Cu  Cu34  1  0.493083  0.415850  0.476325  1
  Cu  Cu35  1  0.338309  0.729329  0.490175  1
  Cu  Cu36  1  0.183515  0.042707  0.504103  1
  Cu  Cu37  1  0.451235  0.513535  0.525162  1
  Cu  Cu38  1  0.296348  0.827614  0.539008  1
  Cu  Cu39  1  0.141914  0.141116  0.552774  1
  Cu  Cu40  1  0.028542  0.356738  0.518153  1
  Cu  Cu41  1  0.873579  0.670940  0.532426  1
  Cu  Cu42  1  0.719287  0.983967  0.546486  1
  Cu  Cu43  1  -0.012710  0.454605  0.566819  1
  Cu  Cu44  1  0.830925  0.769418  0.581590  1
  Cu  Cu45  1  0.675717  0.081447  0.595628  1
  Cu  Cu46  1  0.565136  0.296875  0.560185  1
  Cu  Cu47  1  0.409557  0.611533  0.573885  1
  Cu  Cu48  1  0.252614  0.926771  0.587669  1
  Cu  Cu49  1  0.521872  0.393922  0.608879  1
  Cu  Cu50  1  0.369231  0.710924  0.622328  1
  Cu  Cu51  1  0.217924  0.025833  0.636556  1
  Cu  Cu52  1  0.097795  0.239074  0.601425  1
  Cu  Cu53  1  0.945106  0.551910  0.615538  1
  Cu  Cu54  1  0.794761  0.869114  0.631151  1
  Cu  Cu55  1  0.076358  0.336572  0.650053  1
  Cu  Cu56  1  0.940929  0.647947  0.663769  1
  Cu  Cu57  1  0.816592  0.967692  0.681262  1
  Cu  Cu58  1  0.649601  0.178388  0.644520  1
  Cu  Cu59  1  0.507120  0.492548  0.656823  1
  Cu  Cu60  1  0.374708  0.807509  0.670209  1
  Cu  Cu61  1  0.674310  0.281359  0.691181  1
  Cu  Cu62  1  0.530863  0.587412  0.703550  1
  Cu  Cu63  1  0.380700  0.892577  0.716143  1
  Cu  Cu64  1  0.243507  0.126255  0.684391  1
  Cu  Cu65  1  0.104069  0.432518  0.697255  1
  Cu  Cu66  1  0.961852  0.733168  0.710513  1
