data_[K1Tb1Hg2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6757]
_cell_length_b [6.8084]
_cell_length_c [8.9203]
_cell_angle_alpha [82.0548]
_cell_angle_beta [75.5190]
_cell_angle_gamma [87.8255]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTb(HgCl4)2]
_chemical_formula_sum '[K1 Tb1 Hg2 Cl8]'
_cell_volume [388.7844]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Tb  Tb1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4690  0.4772  0.7356  1.0
  Cl  Cl3  2  0.2043  0.8209  0.1958  1.0
  Cl  Cl4  2  0.2409  0.3338  0.9762  1.0
  Cl  Cl5  2  0.2515  0.8603  0.7586  1.0
  Cl  Cl6  2  0.2694  0.3882  0.4861  1.0
]