data_[K2Tb2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3965]
_cell_length_b [4.5238]
_cell_length_c [10.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTbHgTe3]
_chemical_formula_sum '[K2 Tb2 Hg2 Te6]'
_cell_volume [439.9650]
_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  0.2180  0.2500  0.2516  1.0
  Tb  Tb1  2  0.3250  0.7500  0.8610  1.0
  Hg  Hg2  2  0.0882  0.2500  0.6128  1.0
  Te  Te3  2  0.0948  0.2500  0.8732  1.0
  Te  Te4  2  0.2439  0.7500  0.5454  1.0
  Te  Te5  2  0.4562  0.7500  0.1556  1.0
]