data_[Co8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [5.6100]
_cell_length_b [5.6100]
_cell_length_c [8.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [CoO2]
_chemical_formula_sum '[Co8 O16]'
_cell_volume [233.0848]
_cell_formula_units_Z [8]
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
[
  Co  Co0  6  0.1674  0.3347  0.2111  1
  Co  Co1  2  0.3333  0.6667  0.4854  1
  O  O2  6  0.0416  0.5208  0.3409  1
  O  O3  6  0.1636  0.3273  0.6020  1
  O  O4  2  0.0000  0.0000  0.3185  1
  O  O5  2  0.3333  0.6667  0.0990  1
]