data_[Na1Sn3S2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5307]
_cell_length_b [5.5307]
_cell_length_c [8.3300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaSn3(SO3)2]
_chemical_formula_sum '[Na1 Sn3 S2 O6]'
_cell_volume [220.6699]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Sn  Sn1  2  0.3333  0.6667  0.9390  1
  Sn  Sn2  1  0.0000  0.0000  0.0000  1
  S  S3  2  0.3333  0.6667  0.2532  1
  O  O4  6  0.1838  0.3676  0.3050  1
]