data_[Hg1S2Cl1]
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 [P1]
_cell_length_a [4.1119]
_cell_length_b [4.3849]
_cell_length_c [6.7681]
_cell_angle_alpha [86.0547]
_cell_angle_beta [77.0180]
_cell_angle_gamma [83.7669]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HgS2Cl]
_chemical_formula_sum '[Hg1 S2 Cl1]'
_cell_volume [118.0838]
_cell_formula_units_Z [1]
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  1  0.1724  0.3240  0.2554  1
  S  S1  1  0.2577  0.6490  0.5145  1
  S  S2  1  0.6000  0.4644  0.6572  1
  Cl  Cl3  1  0.9121  0.0226  0.0619  1
]