data_[Na12C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.4241]
_cell_length_b [3.7056]
_cell_length_c [9.6786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3(CO3)2]
_chemical_formula_sum '[Na12 C8 O24]'
_cell_volume [717.5771]
_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  8  0.1479  0.3296  0.4288  1
  Na  Na1  4  0.0000  0.2644  0.7500  1
  C  C2  8  0.0980  0.2329  0.1013  1
  O  O3  8  0.0587  0.3511  0.9885  1
  O  O4  8  0.0790  0.2193  0.2198  1
  O  O5  8  0.1581  0.1413  0.0882  1
]