data_[Na2Se2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
  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 [9.4909]
_cell_length_b [5.1778]
_cell_length_c [7.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSe(SO4)2]
_chemical_formula_sum '[Na2 Se2 S4 O16]'
_cell_volume [350.7142]
_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  1.0
  Se  Se1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1503  0.5000  0.2077  1.0
  O  O3  8  0.0498  0.2624  0.2167  1.0
  O  O4  4  0.2032  0.5000  0.0312  1.0
  O  O5  4  0.2469  0.0000  0.6216  1.0
]