data_[K4Hg2Te2Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5344]
_cell_length_b [4.6235]
_cell_length_c [10.4659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2HgTeSe]
_chemical_formula_sum '[K4 Hg2 Te2 Se2]'
_cell_volume [393.9248]
_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  0.1793  0.2500  0.3937  1.0
  K  K1  2  0.2026  0.2500  0.9619  1.0
  Hg  Hg2  2  0.4911  0.2500  0.7417  1.0
  Te  Te3  2  0.2828  0.7500  0.6961  1.0
  Se  Se4  2  0.1959  0.7500  0.1811  1.0
]