# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54607192
_cell_length_b   2.54607192
_cell_length_c   50.60227148
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   284.080862277
_cell_formula_units_Z   12
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  0.000303  0.000606  0.354387  1
  Cu  Cu2  1  0.666970  0.667273  0.396104  1
  Cu  Cu3  1  0.000303  0.000606  0.271481  1
  Cu  Cu4  1  0.333637  0.333940  0.312514  1
  Cu  Cu5  1  0.000303  0.000606  0.521275  1
  Cu  Cu6  1  0.666970  0.667273  0.562998  1
  Cu  Cu7  1  0.000303  0.000606  0.437828  1
  Cu  Cu8  1  0.333637  0.333940  0.479551  1
  Cu  Cu9  1  0.000303  0.000606  0.688211  1
  Cu  Cu10  1  0.666970  0.667273  0.728819  1
  Cu  Cu11  1  0.000303  0.000606  0.604722  1
  Cu  Cu12  1  0.333637  0.333940  0.646434  1
