# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55474541
_cell_length_b   4.84381768
_cell_length_c   46.86519631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.83212138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   559.740422695
_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  0.444560  0.611567  0.307386  1
  Cu  Cu2  1  0.121498  0.257681  0.277061  1
  Cu  Cu3  1  0.052270  0.395775  0.349773  1
  Cu  Cu4  1  0.717594  0.065725  0.317441  1
  Cu  Cu5  1  0.662398  0.175316  0.391958  1
  Cu  Cu6  1  0.324480  0.852081  0.357974  1
  Cu  Cu7  1  0.272089  0.955847  0.434004  1
  Cu  Cu8  1  0.932427  0.636262  0.399432  1
  Cu  Cu9  1  0.881716  0.736549  0.475950  1
  Cu  Cu10  1  0.541411  0.418312  0.441164  1
  Cu  Cu11  1  0.491241  0.517476  0.517851  1
  Cu  Cu12  1  0.150773  0.199579  0.483014  1
  Cu  Cu13  1  0.100603  0.298743  0.559701  1
  Cu  Cu14  1  0.760298  0.980506  0.524915  1
  Cu  Cu15  1  0.709587  0.080793  0.601433  1
  Cu  Cu16  1  0.369925  0.761208  0.566861  1
  Cu  Cu17  1  0.317533  0.864974  0.642891  1
  Cu  Cu18  1  0.979616  0.541739  0.608907  1
  Cu  Cu19  1  0.924420  0.651330  0.683424  1
  Cu  Cu20  1  0.589744  0.321280  0.651092  1
  Cu  Cu21  1  0.520516  0.459374  0.723804  1
  Cu  Cu22  1  0.197454  0.105488  0.693479  1
