data_[Li16Co12O28]
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/m]
_cell_length_a [12.6895]
_cell_length_b [2.8316]
_cell_length_c [14.1700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Co3O7]
_chemical_formula_sum '[Li16 Co12 O28]'
_cell_volume [473.5177]
_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  4  0.0721  0.5000  0.3583  1
  Li  Li1  4  0.1424  0.0000  0.2113  1
  Li  Li2  4  0.2079  0.5000  0.0700  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Li  Li4  2  0.0000  0.0000  0.5000  1
  Co  Co5  4  0.0687  0.5000  0.8595  1
  Co  Co6  4  0.1402  0.0000  0.7163  1
  Co  Co7  4  0.2089  0.5000  0.5711  1
  O  O8  4  0.0137  0.0000  0.7601  1
  O  O9  4  0.0598  0.5000  0.1137  1
  O  O10  4  0.0747  0.5000  0.6202  1
  O  O11  4  0.1357  0.0000  0.9507  1
  O  O12  4  0.1482  0.0000  0.4736  1
  O  O13  4  0.2009  0.5000  0.8150  1
  O  O14  4  0.2315  0.5000  0.3298  1
]