data_[K2Hg10S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.1199]
_cell_length_b [12.2078]
_cell_length_c [5.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KHg5S4]
_chemical_formula_sum '[K2 Hg10 S8]'
_cell_volume [583.2440]
_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  2  0.0000  0.0000  0.9821  1
  Hg  Hg1  8  0.1876  0.3113  0.6899  1
  Hg  Hg2  2  0.0000  0.5000  0.2624  1
  S  S3  4  0.0000  0.2999  0.0474  1
  S  S4  4  0.2428  0.0000  0.5113  1
]