data_[K2Tb2Hg6Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5427]
_cell_length_b [7.9576]
_cell_length_c [12.2371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTbHg3Se4]
_chemical_formula_sum '[K2 Tb2 Hg6 Se8]'
_cell_volume [616.6291]
_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  0.0854  0.2500  0.3407  1
  Tb  Tb1  2  0.2875  0.2500  0.7938  1
  Hg  Hg2  4  0.3348  0.0276  0.0508  1
  Hg  Hg3  2  0.3169  0.7500  0.3298  1
  Se  Se4  4  0.4918  0.5228  0.7203  1
  Se  Se5  2  0.0024  0.2500  0.5906  1
  Se  Se6  2  0.0161  0.2500  0.9529  1
]