data_[Tl9In3Hg24]
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 [R3m]
_cell_length_a [6.2512]
_cell_length_b [6.2512]
_cell_length_c [30.6966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl3InHg8]
_chemical_formula_sum '[Tl9 In3 Hg24]'
_cell_volume [1038.8536]
_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  0.3745  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5007  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9991  1.0
  In  In3  3  0.0000  0.0000  0.8752  1.0
  Hg  Hg4  9  0.0007  0.5004  0.4383  1.0
  Hg  Hg5  9  0.1671  0.3342  0.2702  1.0
  Hg  Hg6  3  0.0000  0.0000  0.1876  1.0
  Hg  Hg7  3  0.0000  0.0000  0.6876  1.0
]