data_[Li4Hg2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9508]
_cell_length_b [4.4037]
_cell_length_c [7.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2HgS2]
_chemical_formula_sum '[Li4 Hg2 S4]'
_cell_volume [209.4802]
_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
[
  Li  Li0  4  0.1768  0.0000  0.8594  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  S  S2  4  0.2050  0.0000  0.2142  1.0
]