data_[Tb1Tl1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  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 [6.7806]
_cell_length_b [6.7996]
_cell_length_c [9.0271]
_cell_angle_alpha [81.8377]
_cell_angle_beta [73.8613]
_cell_angle_gamma [87.1861]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbTl(HgCl4)2]
_chemical_formula_sum '[Tb1 Tl1 Hg2 Cl8]'
_cell_volume [395.7299]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4643  0.4756  0.7336  1.0
  Cl  Cl3  2  0.2040  0.8175  0.1879  1.0
  Cl  Cl4  2  0.2363  0.3331  0.9751  1.0
  Cl  Cl5  2  0.2553  0.8632  0.7561  1.0
  Cl  Cl6  2  0.2677  0.3983  0.4878  1.0
]