data_[Si2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [9.2772]
_cell_length_b [7.8044]
_cell_length_c [4.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si(SO4)2]
_chemical_formula_sum '[Si2 S4 O16]'
_cell_volume [315.5991]
_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
[
  Si  Si0  2  0.0000  0.0000  0.0000  1.0
  S  S1  4  0.1883  0.0000  0.6463  1.0
  O  O2  8  0.1030  0.1468  0.7930  1.0
  O  O3  4  0.1513  0.0000  0.3064  1.0
  O  O4  4  0.1600  0.5000  0.2794  1.0
]