data_[K2Tl2Hg2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.2256]
_cell_length_b [6.3715]
_cell_length_c [8.4094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9330]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KTlHgS2]
_chemical_formula_sum '[K2 Tl2 Hg2 S4]'
_cell_volume [385.7175]
_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  0.0777  0.7500  1.0
  Tl  Tl1  2  0.0000  0.4740  0.7500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.2403  0.2276  0.4410  1.0
]