# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39428966
_cell_length_b   4.91905231
_cell_length_c   48.24574600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1042.86753626
_cell_formula_units_Z   40
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  0.173881  0.460825  0.303860  1
  Cu  Cu2  1  0.674407  0.595472  0.283025  1
  Cu  Cu3  1  0.329505  0.960825  0.303860  1
  Cu  Cu4  1  0.828979  0.095472  0.283025  1
  Cu  Cu5  1  0.170164  0.197958  0.349536  1
  Cu  Cu6  1  0.671842  0.331343  0.327346  1
  Cu  Cu7  1  0.333222  0.697958  0.349536  1
  Cu  Cu8  1  0.831544  0.831343  0.327346  1
  Cu  Cu9  1  0.169126  0.935336  0.395247  1
  Cu  Cu10  1  0.668932  0.067169  0.372688  1
  Cu  Cu11  1  0.334259  0.435336  0.395247  1
  Cu  Cu12  1  0.834453  0.567169  0.372688  1
  Cu  Cu13  1  0.169004  0.672347  0.440824  1
  Cu  Cu14  1  0.668949  0.803947  0.418133  1
  Cu  Cu15  1  0.334382  0.172347  0.440824  1
  Cu  Cu16  1  0.834437  0.303947  0.418133  1
  Cu  Cu17  1  0.168969  0.409310  0.486364  1
  Cu  Cu18  1  0.668954  0.540861  0.463632  1
  Cu  Cu19  1  0.334417  0.909310  0.486364  1
  Cu  Cu20  1  0.834432  0.040861  0.463632  1
  Cu  Cu21  1  0.168954  0.146255  0.531886  1
  Cu  Cu22  1  0.668969  0.277806  0.509155  1
  Cu  Cu23  1  0.334432  0.646255  0.531886  1
  Cu  Cu24  1  0.834417  0.777806  0.509155  1
  Cu  Cu25  1  0.168949  0.883169  0.577386  1
  Cu  Cu26  1  0.669004  0.014769  0.554695  1
  Cu  Cu27  1  0.334437  0.383169  0.577386  1
  Cu  Cu28  1  0.834382  0.514769  0.554695  1
  Cu  Cu29  1  0.168932  0.619947  0.622831  1
  Cu  Cu30  1  0.669126  0.751779  0.600272  1
  Cu  Cu31  1  0.334453  0.119947  0.622831  1
  Cu  Cu32  1  0.834259  0.251779  0.600272  1
  Cu  Cu33  1  0.171842  0.355773  0.668173  1
  Cu  Cu34  1  0.670164  0.489158  0.645983  1
  Cu  Cu35  1  0.331544  0.855773  0.668173  1
  Cu  Cu36  1  0.833222  0.989158  0.645983  1
  Cu  Cu37  1  0.174407  0.091644  0.712494  1
  Cu  Cu38  1  0.673881  0.226291  0.691659  1
  Cu  Cu39  1  0.328979  0.591644  0.712494  1
  Cu  Cu40  1  0.829505  0.726291  0.691659  1
