data_[Cs2Si2Hg2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [6.4274]
_cell_length_b [6.8899]
_cell_length_c [9.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSiHgS4]
_chemical_formula_sum '[Cs2 Si2 Hg2 S8]'
_cell_volume [406.2091]
_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
[
  Cs  Cs0  2  0.2599  0.2500  0.9094  1
  Si  Si1  2  0.1193  0.2500  0.2976  1
  Hg  Hg2  2  0.3539  0.7500  0.5387  1
  S  S3  4  0.3468  0.0134  0.3059  1
  S  S4  2  0.0456  0.2500  0.5042  1
  S  S5  2  0.1412  0.7500  0.8864  1
]