data_[Na10C4O12]
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 [P2_1/c]
_cell_length_a [3.7621]
_cell_length_b [8.8708]
_cell_length_c [11.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na5(CO3)2]
_chemical_formula_sum '[Na10 C4 O12]'
_cell_volume [361.9333]
_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  0.0571  0.0449  0.7398  1
  Na  Na1  4  0.2917  0.6654  0.5237  1
  Na  Na2  2  0.5000  0.0000  0.5000  1
  C  C3  4  0.3987  0.1901  0.1920  1
  O  O4  4  0.3129  0.0700  0.1218  1
  O  O5  4  0.3365  0.1925  0.3036  1
  O  O6  4  0.4601  0.6939  0.8533  1
]