data_[Hg1H6S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7576]
_cell_length_b [5.2842]
_cell_length_c [7.1233]
_cell_angle_alpha [79.8236]
_cell_angle_beta [83.8401]
_cell_angle_gamma [89.2368]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH6(SO)2]
_chemical_formula_sum '[Hg1 H6 S2 O2]'
_cell_volume [175.2399]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  H  H1  2  0.2204  0.7580  0.9223  1.0
  H  H2  2  0.3803  0.9339  0.7471  1.0
  H  H3  2  0.4862  0.5097  0.2346  1.0
  S  S4  2  0.3157  0.7206  0.2449  1.0
  O  O5  2  0.2591  0.7801  0.7817  1.0
]