data_[Tl6Sn2Hg8]
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 [Imm2]
_cell_length_a [6.2909]
_cell_length_b [10.8228]
_cell_length_c [6.8886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl3SnHg4]
_chemical_formula_sum '[Tl6 Sn2 Hg8]'
_cell_volume [469.0147]
_cell_formula_units_Z [2]
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  4  0.0000  0.2838  0.5877  1
  Tl  Tl1  2  0.0000  0.0000  0.8338  1
  Sn  Sn2  2  0.0000  0.5000  0.2629  1
  Hg  Hg3  4  0.0000  0.2414  0.0899  1
  Hg  Hg4  4  0.2413  0.0000  0.3495  1
]