data_[Na4Co12O16]
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 [P4_122]
_cell_length_a [6.0653]
_cell_length_b [6.0653]
_cell_length_c [8.6487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [NaCo3O4]
_chemical_formula_sum '[Na4 Co12 O16]'
_cell_volume [318.1644]
_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
[
  Na  Na0  4  0.0000  0.2443  0.5000  1
  Co  Co1  4  0.0000  0.2609  0.0000  1
  Co  Co2  4  0.2485  0.5000  0.2500  1
  Co  Co3  4  0.2509  0.5000  0.7500  1
  O  O4  8  0.0220  0.2753  0.7701  1
  O  O5  8  0.2710  0.4773  0.0070  1
]