data_[Na18V6S6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.6761]
_cell_length_b [8.6761]
_cell_length_c [12.3316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Na3VSO3]
_chemical_formula_sum '[Na18 V6 S6 O18]'
_cell_volume [803.8928]
_cell_formula_units_Z [6]
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  18  0.0004  0.6936  0.6003  1.0
  V  V1  6  0.0000  0.0000  0.3186  1.0
  S  S2  6  0.0000  0.0000  0.0009  1.0
  O  O3  18  0.0053  0.1918  0.2751  1.0
]