data_[Tl24Sn3Hg18]
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
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9562]
_cell_length_b [8.9562]
_cell_length_c [20.8653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl8SnHg6]
_chemical_formula_sum '[Tl24 Sn3 Hg18]'
_cell_volume [1449.4400]
_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  18  0.0046  0.6554  0.8857  1.0
  Tl  Tl1  6  0.0000  0.0000  0.3342  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0045  0.6828  0.0601  1.0
]