data_[K4Hg2Te2S2]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3616]
_cell_length_b [4.5787]
_cell_length_c [10.2019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2HgTeS]
_chemical_formula_sum '[K4 Hg2 Te2 S2]'
_cell_volume [373.0384]
_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  0.1785  0.2500  0.3853  1.0
  K  K1  2  0.1979  0.2500  0.9660  1.0
  Hg  Hg2  2  0.4956  0.7500  0.2557  1.0
  Te  Te3  2  0.2911  0.7500  0.6959  1.0
  S  S4  2  0.1912  0.7500  0.1789  1.0
]