data_[K6Hg4Te8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3382]
_cell_length_b [4.5719]
_cell_length_c [10.7523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(HgTe2)2]
_chemical_formula_sum '[K6 Hg4 Te8]'
_cell_volume [685.8482]
_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  4  0.1251  0.5000  0.6931  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1470  0.5000  0.2976  1.0
  Te  Te3  4  0.0867  0.0000  0.3999  1.0
  Te  Te4  4  0.2038  0.5000  0.0840  1.0
]