data_[K2Hg2Au2S4]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.7666]
_cell_length_b [5.7573]
_cell_length_c [7.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KHgAuS2]
_chemical_formula_sum '[K2 Hg2 Au2 S4]'
_cell_volume [281.6575]
_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  0.5000  0.2022  0.7500  1.0
  Hg  Hg1  2  0.0000  0.4941  0.2500  1.0
  Au  Au2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.2347  0.3032  0.0490  1.0
]