# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23482330
_cell_length_b   4.67721797
_cell_length_c   46.32345465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.99587950
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu34
_cell_volume   817.561892625
_cell_formula_units_Z   34
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  0.488173  0.281468  0.288326  1
  Cu  Cu2  1  0.054013  0.735391  0.298431  1
  Cu  Cu3  1  0.936694  0.187507  0.310504  1
  Cu  Cu4  1  0.505629  0.654616  0.323301  1
  Cu  Cu5  1  0.391805  0.106280  0.336903  1
  Cu  Cu6  1  0.957697  0.561344  0.348564  1
  Cu  Cu7  1  0.849251  0.020079  0.361787  1
  Cu  Cu8  1  0.415182  0.478766  0.374539  1
  Cu  Cu9  1  0.303495  0.933070  0.387604  1
  Cu  Cu10  1  0.870547  0.390540  0.400253  1
  Cu  Cu11  1  0.760341  0.847525  0.413292  1
  Cu  Cu12  1  0.327398  0.304561  0.426079  1
  Cu  Cu13  1  0.216598  0.760952  0.439020  1
  Cu  Cu14  1  0.783891  0.218076  0.451845  1
  Cu  Cu15  1  0.673311  0.674786  0.464767  1
  Cu  Cu16  1  0.240585  0.131714  0.477609  1
  Cu  Cu17  1  0.129994  0.588437  0.490515  1
  Cu  Cu18  1  0.697288  0.045396  0.503367  1
  Cu  Cu19  1  0.586697  0.502118  0.516274  1
  Cu  Cu20  1  0.153972  0.959046  0.529115  1
  Cu  Cu21  1  0.043392  0.415756  0.542038  1
  Cu  Cu22  1  0.610684  0.872880  0.554863  1
  Cu  Cu23  1  0.499884  0.329272  0.567804  1
  Cu  Cu24  1  0.066941  0.786308  0.580591  1
  Cu  Cu25  1  0.956736  0.243292  0.593630  1
  Cu  Cu26  1  0.523787  0.700762  0.606278  1
  Cu  Cu27  1  0.412100  0.155066  0.619344  1
  Cu  Cu28  1  0.978032  0.613754  0.632096  1
  Cu  Cu29  1  0.869586  0.072488  0.645319  1
  Cu  Cu30  1  0.435478  0.527552  0.656979  1
  Cu  Cu31  1  0.321653  0.979216  0.670581  1
  Cu  Cu32  1  0.890588  0.446325  0.683379  1
  Cu  Cu33  1  0.773270  0.898441  0.695452  1
  Cu  Cu34  1  0.339110  0.352364  0.705557  1
