data_[Ba4Si8Hg4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7342]
_cell_length_b [14.5675]
_cell_length_c [5.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSi2HgS6]
_chemical_formula_sum '[Ba4 Si8 Hg4 S24]'
_cell_volume [1093.1882]
_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
[
  Ba  Ba0  4  0.0000  0.1137  0.2500  1.0
  Si  Si1  8  0.2109  0.4306  0.1928  1.0
  Hg  Hg2  4  0.0000  0.3296  0.7500  1.0
  S  S3  8  0.1239  0.0849  0.7686  1.0
  S  S4  8  0.1349  0.3028  0.0758  1.0
  S  S5  8  0.1479  0.4492  0.5041  1.0
]