data_[Na22Co26O52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.7458]
_cell_length_b [10.7458]
_cell_length_c [11.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Na11(CoO2)13]
_chemical_formula_sum '[Na22 Co26 O52]'
_cell_volume [1100.9685]
_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
[
  Na  Na0  6  0.0224  0.5954  0.2500  1
  Na  Na1  6  0.0959  0.3362  0.2500  1
  Na  Na2  6  0.2026  0.7250  0.7500  1
  Na  Na3  2  0.0000  0.0000  0.2500  1
  Na  Na4  2  0.3333  0.6667  0.2500  1
  Co  Co5  12  0.0756  0.7705  0.5004  1
  Co  Co6  12  0.1540  0.5419  0.0024  1
  Co  Co7  2  0.0000  0.0000  0.0000  1
  O  O8  12  0.0260  0.5919  0.6000  1
  O  O9  12  0.0520  0.1727  0.0905  1
  O  O10  12  0.1035  0.3619  0.5914  1
  O  O11  12  0.2014  0.7136  0.0999  1
  O  O12  4  0.3333  0.6667  0.9026  1
]