data_[Hg10S8Cl4]
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 [Cm]
_cell_length_a [15.2653]
_cell_length_b [4.2653]
_cell_length_c [10.2708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Hg5(S2Cl)2]
_chemical_formula_sum '[Hg10 S8 Cl4]'
_cell_volume [644.6781]
_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  0.0477  0.5000  0.9361  1.0
  Hg  Hg1  2  0.1897  0.0000  0.2795  1.0
  Hg  Hg2  2  0.3257  0.5000  0.9878  1.0
  Hg  Hg3  2  0.3643  0.5000  0.6111  1.0
  Hg  Hg4  2  0.4580  0.0000  0.3099  1.0
  S  S5  2  0.1001  0.5000  0.1946  1.0
  S  S6  2  0.3155  0.0000  0.1191  1.0
  S  S7  2  0.3283  0.0000  0.4804  1.0
  S  S8  2  0.4482  0.5000  0.8575  1.0
  Cl  Cl9  2  0.0295  0.0000  0.4569  1.0
  Cl  Cl10  2  0.1668  0.5000  0.7989  1.0
]