data_[Hg4S4Cl2]
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 [P-1]
_cell_length_a [6.5209]
_cell_length_b [7.1841]
_cell_length_c [7.2206]
_cell_angle_alpha [111.3391]
_cell_angle_beta [95.7130]
_cell_angle_gamma [110.3048]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg2S2Cl]
_chemical_formula_sum '[Hg4 S4 Cl2]'
_cell_volume [285.4465]
_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  0.1446  0.9581  0.2562  1.0
  Hg  Hg1  2  0.3985  0.5370  0.2797  1.0
  S  S2  2  0.1672  0.6154  0.0337  1.0
  S  S3  2  0.2088  0.3173  0.5033  1.0
  Cl  Cl4  2  0.3034  0.1398  0.9468  1.0
]