data_[Na8C4O12]
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 [9.4464]
_cell_length_b [5.4957]
_cell_length_c [6.1746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2CO3]
_chemical_formula_sum '[Na8 C4 O12]'
_cell_volume [284.2601]
_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  0.1665  0.3583  0.6963  1.0
  C  C1  4  0.0000  0.1003  0.2500  1.0
  O  O2  8  0.1291  0.0164  0.8949  1.0
  O  O3  4  0.0000  0.3397  0.2500  1.0
]