data_[Tl9In18Hg6]
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-3m]
_cell_length_a [3.5345]
_cell_length_b [3.5345]
_cell_length_c [86.2973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3(In3Hg)2]
_chemical_formula_sum '[Tl9 In18 Hg6]'
_cell_volume [933.6719]
_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  6  0.0000  0.0000  0.2696  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0000  1.0
  In  In2  6  0.0000  0.0000  0.0954  1.0
  In  In3  6  0.0000  0.0000  0.1819  1.0
  In  In4  6  0.0000  0.0000  0.3655  1.0
  Hg  Hg5  6  0.0000  0.0000  0.4568  1.0
]