data_[Na6B2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.6513]
_cell_length_b [4.1175]
_cell_length_c [13.6310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3BS3]
_chemical_formula_sum '[Na6 B2 S6]'
_cell_volume [1046.8241]
_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  0.0979  0.0000  0.2371  1
  Na  Na1  2  0.0000  0.0000  0.9998  1
  B  B2  2  0.0000  0.0000  0.6610  1
  S  S3  4  0.0859  0.0000  0.5963  1
  S  S4  2  0.0000  0.0000  0.7975  1
]