# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55621442
_cell_length_b   4.83871024
_cell_length_c   46.89275398
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.16801904
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   559.800345134
_cell_formula_units_Z   22
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  0.055279  0.610723  0.307108  1
  Cu  Cu2  1  0.377830  0.255828  0.276856  1
  Cu  Cu3  1  0.447862  0.395456  0.349510  1
  Cu  Cu4  1  0.782187  0.064836  0.317245  1
  Cu  Cu5  1  0.837885  0.175272  0.391691  1
  Cu  Cu6  1  0.175492  0.851619  0.357754  1
  Cu  Cu7  1  0.228312  0.956040  0.433727  1
  Cu  Cu8  1  0.567684  0.636113  0.399193  1
  Cu  Cu9  1  0.618792  0.736967  0.475661  1
  Cu  Cu10  1  0.958813  0.418416  0.440910  1
  Cu  Cu11  1  0.009371  0.518118  0.517550  1
  Cu  Cu12  1  0.349556  0.199912  0.482747  1
  Cu  Cu13  1  0.400113  0.299614  0.559386  1
  Cu  Cu14  1  0.740134  0.981063  0.524635  1
  Cu  Cu15  1  0.791242  0.081917  0.601103  1
  Cu  Cu16  1  0.130614  0.761990  0.566570  1
  Cu  Cu17  1  0.183434  0.866411  0.642542  1
  Cu  Cu18  1  0.521042  0.542758  0.608606  1
  Cu  Cu19  1  0.576739  0.653194  0.683051  1
  Cu  Cu20  1  0.911064  0.322573  0.650786  1
  Cu  Cu21  1  0.981096  0.462202  0.723441  1
  Cu  Cu22  1  0.303647  0.107307  0.693189  1
