data_[Se2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.4898]
_cell_length_b [7.2443]
_cell_length_c [4.6891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Se(SO4)2]
_chemical_formula_sum '[Se2 S4 O16]'
_cell_volume [352.0740]
_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
[
  Se  Se0  2  0.0000  0.0000  0.0000  1.0
  S  S1  4  0.1855  0.0000  0.6558  1.0
  O  O2  8  0.1126  0.1638  0.7683  1.0
  O  O3  4  0.1597  0.0000  0.3280  1.0
  O  O4  4  0.1790  0.5000  0.2495  1.0
]