data_[Hg4H4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1424]
_cell_length_b [6.2539]
_cell_length_c [7.9546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgHCl]
_chemical_formula_sum '[Hg4 H4 Cl4]'
_cell_volume [305.5635]
_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  4  0.1746  0.0000  0.0930  1
  H  H1  4  0.0603  0.0000  0.5087  1
  Cl  Cl2  4  0.0103  0.5000  0.2491  1
]