data_[Hg4H4S4]
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]
_cell_length_a [5.8906]
_cell_length_b [5.8030]
_cell_length_c [9.8084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HgHS]
_chemical_formula_sum '[Hg4 H4 S4]'
_cell_volume [323.2888]
_cell_formula_units_Z [4]
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  0.2179  0.5000  1.0
  Hg  Hg1  2  0.0000  0.4648  0.0000  1.0
  H  H2  4  0.0345  0.8614  0.2811  1.0
  S  S3  4  0.2084  0.0144  0.3355  1.0
]