data_[Cu9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.5243]
_cell_length_b [2.5243]
_cell_length_c [32.0666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cu]
_chemical_formula_sum '[Cu9]'
_cell_volume [176.9627]
_cell_formula_units_Z [9]
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  Cu0  2  0.0000  0.0000  0.3051  1
  Cu  Cu1  2  0.3333  0.6667  0.2397  1
  Cu  Cu2  2  0.3333  0.6667  0.4352  1
  Cu  Cu3  2  0.3333  0.6667  0.6299  1
  Cu  Cu4  1  0.0000  0.0000  0.5000  1
]