data_[Li6Co8O16]
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 [P-1]
_cell_length_a [5.7367]
_cell_length_b [5.7390]
_cell_length_c [10.3226]
_cell_angle_alpha [73.9070]
_cell_angle_beta [89.8872]
_cell_angle_gamma [60.6200]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(CoO2)4]
_chemical_formula_sum '[Li6 Co8 O16]'
_cell_volume [280.8620]
_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  0.2403  0.5093  0.7425  1
  Li  Li1  2  0.2449  0.0020  0.7484  1
  Li  Li2  2  0.2506  0.9973  0.2551  1
  Co  Co3  1  0.0000  0.0000  0.0000  1
  Co  Co4  1  0.0000  0.0000  0.5000  1
  Co  Co5  1  0.0000  0.5000  0.0000  1
  Co  Co6  1  0.0000  0.5000  0.5000  1
  Co  Co7  1  0.5000  0.0000  0.0000  1
  Co  Co8  1  0.5000  0.0000  0.5000  1
  Co  Co9  1  0.5000  0.5000  0.0000  1
  Co  Co10  1  0.5000  0.5000  0.5000  1
  O  O11  2  0.1088  0.7627  0.8869  1
  O  O12  2  0.1260  0.2335  0.3893  1
  O  O13  2  0.1269  0.7493  0.3912  1
  O  O14  2  0.1429  0.2171  0.8955  1
  O  O15  2  0.3552  0.7687  0.6103  1
  O  O16  2  0.3625  0.7707  0.0997  1
  O  O17  2  0.3720  0.2571  0.6167  1
  O  O18  2  0.3778  0.2589  0.1027  1
]