data_[Li4Co6O12]
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 [C2]
_cell_length_a [5.0455]
_cell_length_b [8.6826]
_cell_length_c [5.2010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2(CoO2)3]
_chemical_formula_sum '[Li4 Co6 O12]'
_cell_volume [213.6872]
_cell_formula_units_Z [2]
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  0.3243  0.5000  1
  Li  Li1  2  0.0000  0.6703  0.5000  1
  Co  Co2  2  0.0000  0.1687  0.0000  1
  Co  Co3  2  0.0000  0.4953  0.0000  1
  Co  Co4  2  0.0000  0.8383  0.0000  1
  O  O5  4  0.2207  0.3190  0.2279  1
  O  O6  4  0.2414  0.0039  0.2054  1
  O  O7  4  0.2438  0.6787  0.2015  1
]