data_[Hg2S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.0243]
_cell_length_b [5.9105]
_cell_length_c [7.8085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HgS3Cl]
_chemical_formula_sum '[Hg2 S6 Cl2]'
_cell_volume [304.4723]
_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  2  0.4304  0.2815  0.7839  1
  S  S1  2  0.1565  0.9945  0.6388  1
  S  S2  2  0.2524  0.8230  0.4610  1
  S  S3  2  0.3495  0.0492  0.3170  1
  Cl  Cl4  2  0.2910  0.4758  0.0133  1
]