# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94102017
_cell_length_b   2.94102017
_cell_length_c   47.68253586
_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   Cu14
_cell_volume   412.434845889
_cell_formula_units_Z   14
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  0.503347  0.503347  0.324288  1
  Cu  Cu2  1  1.003347  0.003347  0.294526  1
  Cu  Cu3  1  0.503347  0.503347  0.387086  1
  Cu  Cu4  1  1.003347  0.003347  0.355836  1
  Cu  Cu5  1  0.503347  0.503347  0.449750  1
  Cu  Cu6  1  1.003347  0.003347  0.418436  1
  Cu  Cu7  1  0.503347  0.503347  0.512397  1
  Cu  Cu8  1  1.003347  0.003347  0.481076  1
  Cu  Cu9  1  0.503347  0.503347  0.575037  1
  Cu  Cu10  1  1.003347  0.003347  0.543724  1
  Cu  Cu11  1  0.503347  0.503347  0.637637  1
  Cu  Cu12  1  1.003347  0.003347  0.606387  1
  Cu  Cu13  1  0.503347  0.503347  0.698947  1
  Cu  Cu14  1  1.003347  0.003347  0.669185  1
