data_[Li4Hg4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.7654]
_cell_length_b [3.9221]
_cell_length_c [12.2228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiHgCl]
_chemical_formula_sum '[Li4 Hg4 Cl4]'
_cell_volume [324.2098]
_cell_formula_units_Z [4]
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  2  0.0949  0.0000  0.8854  1.0
  Li  Li1  2  0.2489  0.5000  0.6329  1.0
  Hg  Hg2  2  0.0607  0.0000  0.1859  1.0
  Hg  Hg3  2  0.4078  0.0000  0.3955  1.0
  Cl  Cl4  2  0.0848  0.0000  0.6714  1.0
  Cl  Cl5  2  0.4308  0.0000  0.9292  1.0
]