data_[Hg4H4Cl12]
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 [P2_1/c]
_cell_length_a [6.4341]
_cell_length_b [7.7884]
_cell_length_c [13.5920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgHCl3]
_chemical_formula_sum '[Hg4 H4 Cl12]'
_cell_volume [612.2235]
_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  0.2395  0.2483  0.7437  1.0
  H  H1  4  0.3912  0.7181  0.9403  1.0
  Cl  Cl2  4  0.0385  0.1347  0.8330  1.0
  Cl  Cl3  4  0.2777  0.6723  0.9955  1.0
  Cl  Cl4  4  0.4473  0.1337  0.1576  1.0
]