data_[K4Hg4Pb2S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3475]
_cell_length_b [4.2555]
_cell_length_c [7.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hg2PbS4]
_chemical_formula_sum '[K4 Hg4 Pb2 S8]'
_cell_volume [507.1892]
_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  0.1237  0.0000  0.5468  1.0
  Hg  Hg1  4  0.1661  0.5000  0.0013  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0230  0.5000  0.7453  1.0
  S  S4  4  0.2106  0.0000  0.2052  1.0
]