data_[Hg4S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.3480]
_cell_length_b [4.6561]
_cell_length_c [8.6850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Hg2SO4]
_chemical_formula_sum '[Hg4 S2 O8]'
_cell_volume [256.4029]
_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
[
  Hg  Hg0  4  0.1913  0.0713  0.9732  1.0
  S  S1  2  0.5000  0.4281  0.7500  1.0
  O  O2  4  0.3038  0.4050  0.2362  1.0
  O  O3  4  0.4946  0.2317  0.8916  1.0
]