# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45724338
_cell_length_b   3.99423695
_cell_length_c   47.14535670
_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   Cu20
_cell_volume   462.722827068
_cell_formula_units_Z   20
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  1.002656  0.252435  0.301852  1
  Cu  Cu2  1  0.502656  0.752435  0.288524  1
  Cu  Cu3  1  0.502656  0.252435  0.346940  1
  Cu  Cu4  1  1.002656  0.752435  0.332401  1
  Cu  Cu5  1  1.002656  0.252435  0.392715  1
  Cu  Cu6  1  0.502656  0.752435  0.377531  1
  Cu  Cu7  1  0.502656  0.252435  0.438411  1
  Cu  Cu8  1  1.002656  0.752435  0.423032  1
  Cu  Cu9  1  1.002656  0.252435  0.484060  1
  Cu  Cu10  1  0.502656  0.752435  0.468622  1
  Cu  Cu11  1  0.502656  0.252435  0.529684  1
  Cu  Cu12  1  1.002656  0.752435  0.514246  1
  Cu  Cu13  1  1.002656  0.252435  0.575273  1
  Cu  Cu14  1  0.502656  0.752435  0.559894  1
  Cu  Cu15  1  0.502656  0.252435  0.620774  1
  Cu  Cu16  1  1.002656  0.752435  0.605591  1
  Cu  Cu17  1  1.002656  0.252435  0.665904  1
  Cu  Cu18  1  0.502656  0.752435  0.651366  1
  Cu  Cu19  1  0.502656  0.252435  0.709781  1
  Cu  Cu20  1  1.002656  0.752435  0.696453  1
