data_[Cs4Li4Hg4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [13.4607]
_cell_length_b [4.3320]
_cell_length_c [9.8807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLiHgS2]
_chemical_formula_sum '[Cs4 Li4 Hg4 S8]'
_cell_volume [568.2093]
_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
[
  Cs  Cs0  4  0.1565  0.5000  0.6635  1.0
  Li  Li1  4  0.1757  0.5000  0.0577  1.0
  Hg  Hg2  4  0.0468  0.0000  0.1820  1.0
  S  S3  4  0.1251  0.5000  0.2969  1.0
  S  S4  4  0.1358  0.0000  0.9401  1.0
]