data_[K2Hg2Bi2Te6]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5707]
_cell_length_b [4.5999]
_cell_length_c [10.7200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHgBiTe3]
_chemical_formula_sum '[K2 Hg2 Bi2 Te6]'
_cell_volume [456.3204]
_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  0.1999  0.2500  0.2530  1.0
  Hg  Hg1  2  0.0876  0.2500  0.6149  1.0
  Bi  Bi2  2  0.3296  0.7500  0.8707  1.0
  Te  Te3  2  0.1041  0.2500  0.8840  1.0
  Te  Te4  2  0.2312  0.7500  0.5361  1.0
  Te  Te5  2  0.4481  0.7500  0.1571  1.0
]