data_[Tl6Sn3Hg3]
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 [R3m]
_cell_length_a [3.4623]
_cell_length_b [3.4623]
_cell_length_c [35.0016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl2SnHg]
_chemical_formula_sum '[Tl6 Sn3 Hg3]'
_cell_volume [363.3623]
_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  0.7513  1.0
  Tl  Tl1  3  0.0000  0.0000  0.9152  1.0
  Sn  Sn2  3  0.0000  0.0000  0.4997  1.0
  Hg  Hg3  3  0.0000  0.0000  0.3339  1.0
]