data_[Hg6S4Cl4]
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 [Pmc2_1]
_cell_length_a [4.6909]
_cell_length_b [9.6538]
_cell_length_c [9.0794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Hg3(SCl)2]
_chemical_formula_sum '[Hg6 S4 Cl4]'
_cell_volume [411.1577]
_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  0.0000  0.2170  0.7732  1.0
  Hg  Hg1  2  0.0000  0.4821  0.0244  1.0
  Hg  Hg2  2  0.5000  0.2200  0.3508  1.0
  S  S3  2  0.0000  0.2370  0.0318  1.0
  S  S4  2  0.0000  0.2645  0.5088  1.0
  Cl  Cl5  2  0.5000  0.0072  0.7318  1.0
  Cl  Cl6  2  0.5000  0.4743  0.2763  1.0
]