data_[Tl6Sn9Hg3I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.3299]
_cell_length_b [9.3299]
_cell_length_c [28.1065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2Sn3HgI8]
_chemical_formula_sum '[Tl6 Sn9 Hg3 I24]'
_cell_volume [2118.8148]
_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  0.5133  1.0
  Tl  Tl1  3  0.0000  0.0000  0.8653  1.0
  Sn  Sn2  9  0.0103  0.5051  0.0019  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1441  1.0
  I  I4  9  0.0155  0.5078  0.2617  1.0
  I  I5  9  0.1762  0.3523  0.0635  1.0
  I  I6  3  0.0000  0.0000  0.2704  1.0
  I  I7  3  0.0000  0.0000  0.7328  1.0
]