data_[Li27Co21O48]
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 [R-3m]
_cell_length_a [5.7634]
_cell_length_b [5.7634]
_cell_length_c [28.8004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li9Co7O16]
_chemical_formula_sum '[Li27 Co21 O48]'
_cell_volume [828.4947]
_cell_formula_units_Z [3]
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  18  0.0071  0.5036  0.7491  1
  Li  Li1  6  0.0000  0.0000  0.2511  1
  Li  Li2  3  -0.0000  -0.0000  0.0000  1
  Co  Co3  9  0.0000  0.5000  0.0000  1
  Co  Co4  9  0.0000  0.5000  0.5000  1
  Co  Co5  3  0.0000  0.0000  0.5000  1
  O  O6  18  0.0017  0.5009  0.8733  1
  O  O7  18  0.0231  0.5115  0.3683  1
  O  O8  6  0.0000  0.0000  0.1258  1
  O  O9  6  0.0000  0.0000  0.3690  1
]