# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53694534
_cell_length_b   6.04582399
_cell_length_c   48.73868963
_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   Cu28
_cell_volume   747.550365561
_cell_formula_units_Z   28
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  0.503775  0.325295  0.285747  1
  Cu  Cu2  1  1.003775  0.055518  0.315181  1
  Cu  Cu3  1  1.003775  0.650378  0.304915  1
  Cu  Cu4  1  0.503775  0.381862  0.335992  1
  Cu  Cu5  1  0.503775  0.790666  0.346622  1
  Cu  Cu6  1  1.003775  0.524912  0.377785  1
  Cu  Cu7  1  1.003775  0.114920  0.367000  1
  Cu  Cu8  1  0.503775  0.849188  0.398486  1
  Cu  Cu9  1  0.503775  0.258744  0.409024  1
  Cu  Cu10  1  1.003775  0.993023  0.440409  1
  Cu  Cu11  1  1.003775  0.582872  0.429803  1
  Cu  Cu12  1  0.503775  0.316968  0.461129  1
  Cu  Cu13  1  0.503775  0.727039  0.471733  1
  Cu  Cu14  1  1.003775  0.461070  0.503063  1
  Cu  Cu15  1  1.003775  0.051041  0.492476  1
  Cu  Cu16  1  0.503775  0.785072  0.523806  1
  Cu  Cu17  1  0.503775  0.195143  0.534410  1
  Cu  Cu18  1  1.003775  0.929239  0.565735  1
  Cu  Cu19  1  1.003775  0.519088  0.555130  1
  Cu  Cu20  1  0.503775  0.253367  0.586515  1
  Cu  Cu21  1  0.503775  0.662923  0.597053  1
  Cu  Cu22  1  1.003775  0.397191  0.628539  1
  Cu  Cu23  1  1.003775  0.987199  0.617753  1
  Cu  Cu24  1  0.503775  0.721445  0.648917  1
  Cu  Cu25  1  0.503775  0.130249  0.659547  1
  Cu  Cu26  1  1.003775  0.861733  0.690623  1
  Cu  Cu27  1  1.003775  0.456593  0.680358  1
  Cu  Cu28  1  0.503775  0.186816  0.709791  1
