data_[K4Ac2Hg4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  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 [16.4101]
_cell_length_b [4.2414]
_cell_length_c [8.1589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ac(HgS2)2]
_chemical_formula_sum '[K4 Ac2 Hg4 S8]'
_cell_volume [523.1292]
_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
[
  K  K0  4  0.1264  0.0000  0.5622  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.1919  0.5000  0.0284  1
  S  S3  4  0.0311  0.5000  0.7709  1
  S  S4  4  0.1951  0.0000  0.2346  1
]