data_[Li8Co16O32]
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 [P2_1]
_cell_length_a [8.0577]
_cell_length_b [8.0678]
_cell_length_c [8.0659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li(CoO2)2]
_chemical_formula_sum '[Li8 Co16 O32]'
_cell_volume [524.3432]
_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
[
  Li  Li0  4  0.0006  0.9985  0.2544  1
  Li  Li1  4  0.2480  0.2521  0.9996  1
  Co  Co2  8  0.1246  0.6224  0.1274  1
  Co  Co3  4  0.1240  0.1252  0.6253  1
  Co  Co4  4  0.3755  0.8756  0.1252  1
  O  O5  8  0.1084  0.1115  0.8643  1
  O  O6  8  0.1091  0.8860  0.6418  1
  O  O7  8  0.1426  0.6374  0.8896  1
  O  O8  8  0.3647  0.8619  0.8921  1
]