data_[Tm1Tl1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [6.7289]
_cell_length_b [6.7846]
_cell_length_c [8.9824]
_cell_angle_alpha [73.1622]
_cell_angle_beta [82.0168]
_cell_angle_gamma [87.0358]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TmTl(HgCl4)2]
_chemical_formula_sum '[Tm1 Tl1 Hg2 Cl8]'
_cell_volume [388.6553]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.4738  0.4603  0.7354  1.0
  Cl  Cl3  2  0.1338  0.7451  0.2428  1.0
  Cl  Cl4  2  0.1856  0.8030  0.8165  1.0
  Cl  Cl5  2  0.3272  0.2333  0.9788  1.0
  Cl  Cl6  2  0.4027  0.2669  0.4871  1.0
]