data_[Hg2S2O8]
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 [Pmn2_1]
_cell_length_a [6.6651]
_cell_length_b [4.9300]
_cell_length_c [4.9835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [HgSO4]
_chemical_formula_sum '[Hg2 S2 O8]'
_cell_volume [163.7521]
_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  2  0.0000  0.1764  0.2538  1.0
  S  S1  2  0.0000  0.6810  0.7394  1.0
  O  O2  4  0.1772  0.8196  0.6098  1.0
  O  O3  2  0.0000  0.3852  0.6803  1.0
  O  O4  2  0.0000  0.7147  0.0349  1.0
]