data_[K2Hg2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4322]
_cell_length_b [4.5573]
_cell_length_c [10.7077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHgSbTe3]
_chemical_formula_sum '[K2 Hg2 Sb2 Te6]'
_cell_volume [444.4651]
_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  0.2022  0.2500  0.2589  1.0
  Hg  Hg1  2  0.0867  0.2500  0.6189  1.0
  Sb  Sb2  2  0.3292  0.7500  0.8749  1.0
  Te  Te3  2  0.1097  0.2500  0.8902  1.0
  Te  Te4  2  0.2329  0.7500  0.5389  1.0
  Te  Te5  2  0.4491  0.7500  0.1510  1.0
]