data_[Na2B2S4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3441]
_cell_length_b [5.9109]
_cell_length_c [8.0375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaB(SO4)2]
_chemical_formula_sum '[Na2 B2 S4 O16]'
_cell_volume [375.7592]
_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  2  0.0000  0.0000  0.5000  1
  B  B1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1746  0.5000  0.7187  1
  O  O3  8  0.0904  0.2918  0.7347  1
  O  O4  4  0.1592  0.0000  0.0696  1
  O  O5  4  0.2314  0.0000  0.4035  1
]