data_[Tl3H9Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [17.4591]
_cell_length_b [17.4591]
_cell_length_c [3.5973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl(HCl2)3]
_chemical_formula_sum '[Tl3 H9 Cl18]'
_cell_volume [949.6304]
_cell_formula_units_Z [3]
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
[
  Tl  Tl0  3  0.0000  0.0000  0.2031  1.0
  H  H1  9  0.0066  0.5033  0.4160  1.0
  Cl  Cl2  9  0.0652  0.1305  0.7028  1.0
  Cl  Cl3  9  0.1894  0.3788  0.0338  1.0
]