# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35522646
_cell_length_b   8.85012295
_cell_length_c   45.65694998
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.32513662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1705.09727318
_cell_formula_units_Z   64
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  0.402849  0.152021  0.285439  1
  Cu  Cu2  1  0.645593  0.637504  0.297359  1
  Cu  Cu3  1  0.623327  0.911556  0.280037  1
  Cu  Cu4  1  0.876030  0.392497  0.291800  1
  Cu  Cu5  1  0.897489  0.128721  0.312443  1
  Cu  Cu6  1  0.140484  0.618516  0.324778  1
  Cu  Cu7  1  0.111300  0.880281  0.305049  1
  Cu  Cu8  1  0.363725  0.373472  0.318925  1
  Cu  Cu9  1  0.387069  0.105279  0.339885  1
  Cu  Cu10  1  0.632266  0.596533  0.353074  1
  Cu  Cu11  1  0.603601  0.861295  0.333658  1
  Cu  Cu12  1  0.850788  0.351805  0.346763  1
  Cu  Cu13  1  0.877766  0.085793  0.367553  1
  Cu  Cu14  1  0.122737  0.575350  0.380746  1
  Cu  Cu15  1  0.093534  0.840605  0.360603  1
  Cu  Cu16  1  0.340541  0.330125  0.374204  1
  Cu  Cu17  1  0.367262  0.064128  0.395390  1
  Cu  Cu18  1  0.612138  0.553514  0.408872  1
  Cu  Cu19  1  0.583944  0.819277  0.388675  1
  Cu  Cu20  1  0.830323  0.309120  0.402231  1
  Cu  Cu21  1  0.857007  0.042923  0.423214  1
  Cu  Cu22  1  0.102061  0.532514  0.436764  1
  Cu  Cu23  1  0.073854  0.797931  0.416289  1
  Cu  Cu24  1  0.319698  0.287671  0.430020  1
  Cu  Cu25  1  0.346515  0.021531  0.451047  1
  Cu  Cu26  1  0.591609  0.511088  0.464720  1
  Cu  Cu27  1  0.563792  0.776725  0.444213  1
  Cu  Cu28  1  0.809213  0.266404  0.457912  1
  Cu  Cu29  1  0.836085  1.000303  0.478893  1
  Cu  Cu30  1  0.081245  0.489877  0.492582  1
  Cu  Cu31  1  0.053477  0.755537  0.472016  1
  Cu  Cu32  1  0.298707  0.245085  0.485749  1
  Cu  Cu33  1  0.325616  0.979029  0.506750  1
  Cu  Cu34  1  0.570847  0.468578  0.520484  1
  Cu  Cu35  1  0.543079  0.734237  0.499917  1
  Cu  Cu36  1  0.788238  0.223812  0.513606  1
  Cu  Cu37  1  0.815110  0.957711  0.534587  1
  Cu  Cu38  1  0.060531  0.447390  0.548286  1
  Cu  Cu39  1  0.032714  0.713027  0.527779  1
  Cu  Cu40  1  0.277808  0.202583  0.541453  1
  Cu  Cu41  1  0.304626  0.936444  0.562480  1
  Cu  Cu42  1  0.550469  0.426183  0.576210  1
  Cu  Cu43  1  0.522262  0.691600  0.555735  1
  Cu  Cu44  1  0.767316  0.181192  0.569285  1
  Cu  Cu45  1  0.794000  0.914995  0.590268  1
  Cu  Cu46  1  0.040379  0.404838  0.603824  1
  Cu  Cu47  1  0.012185  0.670601  0.583627  1
  Cu  Cu48  1  0.257062  0.159987  0.597110  1
  Cu  Cu49  1  0.283782  0.893990  0.618295  1
  Cu  Cu50  1  0.530789  0.383510  0.631896  1
  Cu  Cu51  1  0.501586  0.648765  0.611753  1
  Cu  Cu52  1  0.746557  0.138322  0.624947  1
  Cu  Cu53  1  0.773535  0.872309  0.645737  1
  Cu  Cu54  1  0.020722  0.362820  0.658842  1
  Cu  Cu55  1  0.992057  0.627582  0.639426  1
  Cu  Cu56  1  0.237254  0.118836  0.652614  1
  Cu  Cu57  1  0.260599  0.850643  0.673574  1
  Cu  Cu58  1  0.513023  0.343833  0.687450  1
  Cu  Cu59  1  0.483839  0.605598  0.667721  1
  Cu  Cu60  1  0.726834  0.095394  0.680056  1
  Cu  Cu61  1  0.748293  0.831617  0.700700  1
  Cu  Cu62  1  1.000996  0.312559  0.712462  1
  Cu  Cu63  1  0.978730  0.586611  0.695140  1
  Cu  Cu64  1  0.221474  0.072093  0.707060  1
