data_[Tl8Sn1Hg6]
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 [P6/m]
_cell_length_a [12.4906]
_cell_length_b [12.4906]
_cell_length_c [3.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [175]
_chemical_formula_structural [Tl8SnHg6]
_chemical_formula_sum '[Tl8 Sn1 Hg6]'
_cell_volume [456.8966]
_cell_formula_units_Z [1]
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  0.0884  0.2980  0.0000  1
  Tl  Tl1  2  0.3333  0.6667  0.0000  1
  Sn  Sn2  1  0.0000  0.0000  0.5000  1
  Hg  Hg3  6  0.0999  0.6330  0.5000  1
]