data_[K2Tl2Hg2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8903]
_cell_length_b [4.1523]
_cell_length_c [12.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlHgSe3]
_chemical_formula_sum '[K2 Tl2 Hg2 Se6]'
_cell_volume [379.7169]
_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  0.3079  0.2500  0.3203  1.0
  Tl  Tl1  2  0.3068  0.7500  0.9036  1.0
  Hg  Hg2  2  0.1185  0.2500  0.6219  1.0
  Se  Se3  2  0.0566  0.2500  0.8298  1.0
  Se  Se4  2  0.2505  0.7500  0.5321  1.0
  Se  Se5  2  0.4527  0.7500  0.1358  1.0
]