data_[Li8Co12O24]
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 [Cmce]
_cell_length_a [8.6883]
_cell_length_b [4.8978]
_cell_length_c [10.0026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li2(CoO2)3]
_chemical_formula_sum '[Li8 Co12 O24]'
_cell_volume [425.6402]
_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  8  0.2500  0.0868  0.7500  1
  Co  Co1  8  0.1664  0.0000  0.5000  1
  Co  Co2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.1769  0.1657  0.1040  1
  O  O4  8  0.0000  0.1784  0.4055  1
]