data_[Na16C8O48]
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 [Cc]
_cell_length_a [6.9337]
_cell_length_b [16.0445]
_cell_length_c [9.4631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na2CO6]
_chemical_formula_sum '[Na16 C8 O48]'
_cell_volume [1052.5896]
_cell_formula_units_Z [8]
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  0.4716  0.2503  0.7476  1
  Na  Na1  4  0.4731  0.2502  0.2423  1
  Na  Na2  4  0.4775  0.4970  0.5023  1
  Na  Na3  4  0.4800  0.0000  0.5008  1
  C  C4  4  0.2275  0.0876  0.7496  1
  C  C5  4  0.2278  0.4103  0.2496  1
  O  O6  4  0.1357  0.3783  0.6554  1
  O  O7  4  0.1373  0.2311  0.0154  1
  O  O8  4  0.1447  0.1210  0.3459  1
  O  O9  4  0.2225  0.1621  0.6952  1
  O  O10  4  0.2246  0.3352  0.3009  1
  O  O11  4  0.2252  0.4738  0.3329  1
  O  O12  4  0.2290  0.0785  0.8852  1
  O  O13  4  0.2315  0.0235  0.6678  1
  O  O14  4  0.2340  0.4214  0.1145  1
  O  O15  4  0.2560  0.2794  0.9569  1
  O  O16  4  0.3042  0.3659  0.6085  1
  O  O17  4  0.3118  0.1382  0.3924  1
]