# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55243286
_cell_length_b   2.55243286
_cell_length_c   50.10915701
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   282.719902861
_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  1.001095  0.000730  0.353760  1
  Cu  Cu2  1  0.334429  0.667397  0.395443  1
  Cu  Cu3  1  1.001095  0.000730  0.270615  1
  Cu  Cu4  1  0.667762  0.334064  0.312074  1
  Cu  Cu5  1  1.001095  0.000730  0.520493  1
  Cu  Cu6  1  0.334429  0.667397  0.562177  1
  Cu  Cu7  1  1.001095  0.000730  0.437127  1
  Cu  Cu8  1  0.667762  0.334064  0.478810  1
  Cu  Cu9  1  1.001095  0.000730  0.687230  1
  Cu  Cu10  1  0.334429  0.667397  0.728693  1
  Cu  Cu11  1  1.001095  0.000730  0.603860  1
  Cu  Cu12  1  0.667762  0.334064  0.645544  1
