data_[Tl8Sn4Hg12]
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 [Cmc2_1]
_cell_length_a [18.3363]
_cell_length_b [6.3428]
_cell_length_c [6.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2SnHg3]
_chemical_formula_sum '[Tl8 Sn4 Hg12]'
_cell_volume [712.0447]
_cell_formula_units_Z [4]
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  8  0.1840  0.2708  0.9089  1.0
  Sn  Sn1  4  0.0000  0.0813  0.7219  1.0
  Hg  Hg2  8  0.1303  0.2305  0.4075  1.0
  Hg  Hg3  4  0.0000  0.4266  0.1033  1.0
]