data_[Hg1H1S1Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2090]
_cell_length_b [4.3394]
_cell_length_c [6.5101]
_cell_angle_alpha [92.1708]
_cell_angle_beta [107.5592]
_cell_angle_gamma [102.7312]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgHSCl]
_chemical_formula_sum '[Hg1 H1 S1 Cl1]'
_cell_volume [109.8790]
_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  0.5152  0.6642  0.0143  1.0
  H  H1  1  0.9980  0.7242  0.6259  1.0
  S  S2  1  0.0771  0.9068  0.8178  1.0
  Cl  Cl3  1  0.8761  0.4053  0.2701  1.0
]