data_[Tl9In9Sn3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1310]
_cell_length_b [9.1310]
_cell_length_c [22.4761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3In3SnCl8]
_chemical_formula_sum '[Tl9 In9 Sn3 Cl24]'
_cell_volume [1622.9030]
_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  9  0.0000  0.5000  0.5000  1.0
  In  In1  9  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0332  0.5166  0.7409  1.0
  Cl  Cl4  6  0.0000  0.0000  0.2509  1.0
]