data_[Tl12Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6908]
_cell_length_b [11.7031]
_cell_length_c [6.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6Hg5]
_chemical_formula_sum '[Tl12 Hg10]'
_cell_volume [676.6452]
_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  8  0.1940  0.1446  0.1818  1.0
  Tl  Tl1  4  0.1814  0.0000  0.6970  1.0
  Hg  Hg2  4  0.0000  0.2359  0.5000  1.0
  Hg  Hg3  4  0.0000  0.3680  0.0000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]