data_[Tl2Hg10]
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 [Cm]
_cell_length_a [11.7020]
_cell_length_b [3.6275]
_cell_length_c [8.6896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlHg5]
_chemical_formula_sum '[Tl2 Hg10]'
_cell_volume [345.4570]
_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  2  0.2951  0.0000  0.0908  1.0
  Hg  Hg1  2  0.1225  0.5000  0.7480  1.0
  Hg  Hg2  2  0.1499  0.5000  0.3062  1.0
  Hg  Hg3  2  0.3168  0.0000  0.6332  1.0
  Hg  Hg4  2  0.4633  0.5000  0.4293  1.0
  Hg  Hg5  2  0.4857  0.5000  0.9591  1.0
]