data_[Na16Co6O16]
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 [C2/m]
_cell_length_a [17.6485]
_cell_length_b [4.6985]
_cell_length_c [7.4253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Co3O8]
_chemical_formula_sum '[Na16 Co6 O16]'
_cell_volume [584.9660]
_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  4  0.0327  0.0000  0.2241  1
  Na  Na1  4  0.0997  0.5000  0.9327  1
  Na  Na2  4  0.1698  0.5000  0.4598  1
  Na  Na3  4  0.1768  0.0000  0.7592  1
  Co  Co4  4  0.1935  0.0000  0.1966  1
  Co  Co5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0263  0.5000  0.2947  1
  O  O7  4  0.1069  0.0000  0.9919  1
  O  O8  4  0.1761  0.0000  0.4194  1
  O  O9  4  0.2056  0.5000  0.7986  1
]