data_[Li4Co8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.6689]
_cell_length_b [5.6689]
_cell_length_c [9.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li(CoO2)2]
_chemical_formula_sum '[Li4 Co8 O16]'
_cell_volume [253.5448]
_cell_formula_units_Z [4]
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
[
  Li  Li0  2  0.0000  0.0000  0.4983  1
  Li  Li1  2  0.3333  0.6667  0.8941  1
  Co  Co2  6  0.1657  0.8343  0.2106  1
  Co  Co3  2  0.3333  0.6667  0.4829  1
  O  O4  6  0.0412  0.5206  0.3376  1
  O  O5  6  0.1618  0.3236  0.6031  1
  O  O6  2  0.0000  0.0000  0.3087  1
  O  O7  2  0.3333  0.6667  0.1064  1
]