data_[Hg10H4S8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5944]
_cell_length_b [6.9765]
_cell_length_c [10.1349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.6383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg5(HS2)2]
_chemical_formula_sum '[Hg10 H4 S8]'
_cell_volume [794.6694]
_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  8  0.1567  0.3103  0.1001  1
  Hg  Hg1  2  0.0000  0.5000  0.5000  1
  H  H2  4  0.1922  0.5000  0.4973  1
  S  S3  4  0.0773  0.5000  0.3521  1
  S  S4  4  0.2374  0.0000  0.1181  1
]