data_[Tl6Sn9Hg3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5403]
_cell_length_b [8.5403]
_cell_length_c [25.4547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Sn3HgCl8]
_chemical_formula_sum '[Tl6 Sn9 Hg3 Cl24]'
_cell_volume [1607.8341]
_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  0.1309  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4874  1.0
  Sn  Sn2  9  0.1693  0.3387  0.3313  1.0
  Hg  Hg3  3  0.0000  0.0000  0.8562  1.0
  Cl  Cl4  9  0.0361  0.5180  0.2737  1.0
  Cl  Cl5  9  0.1773  0.3547  0.0710  1.0
  Cl  Cl6  3  0.0000  0.0000  0.2667  1.0
  Cl  Cl7  3  0.0000  0.0000  0.7236  1.0
]