data_[In20Hg4S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.1423]
_cell_length_b [11.1423]
_cell_length_c [11.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [In5HgS8]
_chemical_formula_sum '[In20 Hg4 S32]'
_cell_volume [1383.3242]
_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
[
  In  In0  16  0.1237  0.1237  0.6237  1.0
  In  In1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.2500  1.0
  S  S3  16  0.1144  0.1144  0.3856  1.0
  S  S4  16  0.1355  0.1355  0.8645  1.0
]