data_[Tl3In18Hg24]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.5303]
_cell_length_b [8.5303]
_cell_length_c [20.8304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl(In3Hg4)2]
_chemical_formula_sum '[Tl3 In18 Hg24]'
_cell_volume [1312.6593]
_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  0.0000  1.0
  In  In1  18  0.0015  0.6526  0.9391  1.0
  Hg  Hg2  18  0.0030  0.6813  0.1229  1.0
  Hg  Hg3  6  0.0000  0.0000  0.3342  1.0
]