data_[K4Tb4Hg4Se12]
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 [Pnma]
_cell_length_a [8.3969]
_cell_length_b [4.4996]
_cell_length_c [17.3537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KTbHgSe3]
_chemical_formula_sum '[K4 Tb4 Hg4 Se12]'
_cell_volume [655.6701]
_cell_formula_units_Z [4]
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  0.0877  0.2500  0.8072  1
  Tb  Tb1  4  0.2225  0.2500  0.0386  1
  Hg  Hg2  4  0.0543  0.2500  0.3384  1
  Se  Se3  4  0.0003  0.2500  0.5747  1
  Se  Se4  4  0.1276  0.7500  0.9487  1
  Se  Se5  4  0.2127  0.2500  0.2046  1
]